2024-05-07 18:16:45,738 INFO [configure_runtime.py:176] {rank 0/64} __ __ ____ __ _______ / / / /_ __/ / /__ _________ _____ ______ / |/ / __ \ / /_/ / / / / / / _ \/ ___/ __ `/ __ `/ ___/ / /|_/ / / / / / __ / /_/ / / / __/ / / /_/ / /_/ (__ ) / / / / /_/ / /_/ /_/\__, /_/_/\___/_/ \__,_/\__,_/____/ /_/ /_/_____/ /____/ Version 2.1.0 PLEASE READ AND CITE THE REFERENCES BELOW: [1] Ledum, M.; Sen, S.; Li, X.; Carrer, M.; Feng Y.; Cascella, M.; Bore, S. L. HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multi-Scale Simulations of Soft Matter. J. Chem. Theory Comput. 2023. [2] Ledum, M.; Carrer, M.; Sen, S.; Li, X.; Cascella, M.; Bore, S. L. HyMD: Massively parallel hybrid particle-field molecular dynamics in Python. J. Open Source Softw. 8(84), 4149, 2023. [3] Sen, S.; Ledum, M.; Bore, S. L.; Cascella, M. Soft Matter under Pressure: Pushing Particle–Field Molecular Dynamics to the Isobaric Ensemble. J Chem Inf Model 2023, 63(7), 1549-9596. [4] Bore, S. L.; Cascella, M. Hamiltonian and alias-free hybrid particle–field molecular dynamics. J. Chem. Phys. 2020, 153, 094106. [5] Pippig, M. PFFT: An extension of FFTW to massively parallel architectures. SIAM J. Sci. Comput. 2013, 35, C213–C236. 2024-05-07 18:16:45,741 INFO [configure_runtime.py:200] {rank 0/64} Attempting to parse config file out_tempseries_test/a=8.07/T=60/config.tomli as .toml 2024-05-07 18:16:45,742 INFO [configure_runtime.py:222] {rank 0/64} Successfully parsed out_tempseries_test/a=8.07/T=60/config.tomli as .toml file 2024-05-07 18:16:45,742 INFO [configure_runtime.py:226] {rank 0/64} Config: /cluster/work/jobs/887089/out_tempseries_test/a=8.07/T=60/config.tomli -------------------------------------------------- n_steps: 500000 time_step: 0.2 mesh_size: [262, 262, 262] sigma: 0 kappa: 1000 dtype: None box_size: [10.491, 10.491, 10.491] n_print: 100 tau: 0.5 start_temperature: 60 target_temperature: 60 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/jobs/887089/out_tempseries_test/a=8.07/T=60/config.tomli name: None tags: [] n_particles: 8788 max_molecule_size: 1 n_flush: 2 thermostat_work: 0.0 initial_energy: None cancel_com_momentum: True coulombtype: None convergence_type: None pol_mixing: None dielectric_const: None conv_crit: None dielectric_type: [] self_energy: None type_charges: [] rho0: 8.86 a: None pressure: False barostat: None barostat_type: None tau_p: None n_b: None m: [] filter: lj filter_param: [1.1508, 0.1028, -0.6886, 0.2152] command_line_full: /cluster/projects/nn4654k/cascella_group/new_mgcm/HyMD-dev/hymd/__main__.py out_tempseries_test/a=8.07/T=60/config.tomli out_tempseries_test/a=8.07/T=60/input.h5 --logfile=log.txt --verbose 2 --velocity-output --destdir out_tempseries_test/a=8.07/T=60 --disable-bonds target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: H H: 1.0 W W: 1.0 2024-05-07 18:16:48,836 WARNING [input_parser.py:712] {rank 0/64} Chi interaction W--W specified in /cluster/work/jobs/887089/out_tempseries_test/a=8.07/T=60/config.tomli but no W atoms are present in the specified system (names array) 2024-05-07 18:16:48,851 WARNING [input_parser.py:1051] {rank 0/64} rho0 specified but no barostat,setting rho0 to average density 2024-05-07 18:16:48,851 WARNING [input_parser.py:1152] {rank 0/64} config.n_b not specified.Defaulting to 1 2024-05-07 18:16:49,025 INFO [thermostat.py:36] {rank 0/64} Initialized 8788 velocities, target kinetic energy: 6576.074364132, actual kinetic energy generated: 6576.075193788529 2024-05-07 18:16:50,224 INFO [main.py:252]
{rank 0/64} pfft-python processor mesh: (8, 8) 2024-05-07 18:17:05,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 60 -27322 6576.1 -33898 -33898 -0.00051431 -0.00043812 0.00038097 0 2024-05-07 18:17:05,435 INFO [main.py:766]
{rank 0/64} MD step = 1 2024-05-07 18:17:21,497 INFO [main.py:798]
{rank 0/64} MD step = 100 step time: 00:00:00.144865 Performance: 108.664 ns/day 0.221 hours/ns 6.288 steps/s 2024-05-07 18:17:29,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100 20 58.609 -31893 6423.6 -38317 -38317 0.00015239 -0.00057146 -0.00041907 -126.54 2024-05-07 18:17:45,459 INFO [main.py:798]
{rank 0/64} MD step = 200 step time: 00:00:00.156220 Performance: 86.780 ns/day 0.277 hours/ns 5.022 steps/s 2024-05-07 18:18:05,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200 40 59.112 -32443 6478.7 -38922 -38922 -0.00016191 -0.00034764 -0.00049527 -40.9 2024-05-07 18:18:21,818 INFO [main.py:798]
{rank 0/64} MD step = 300 step time: 00:00:00.166544 Performance: 68.096 ns/day 0.352 hours/ns 3.941 steps/s 2024-05-07 18:18:40,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300 60 60.719 -32217 6654.9 -38872 -38872 -0.00040955 -5.7146e-05 -0.00064766 125.31 2024-05-07 18:18:56,128 INFO [main.py:798]
{rank 0/64} MD step = 400 step time: 00:00:00.157288 Performance: 62.599 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-07 18:19:03,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400 80 60.333 -32424 6612.5 -39037 -39037 -0.00024763 -0.0007429 -0.00064766 271.19 2024-05-07 18:19:19,956 INFO [main.py:798]
{rank 0/64} MD step = 500 step time: 00:00:00.165414 Performance: 64.356 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-07 18:19:27,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 500 100 60.014 -32383 6577.6 -38961 -38961 -0.00030478 -0.00059051 -0.00032383 441.39 2024-05-07 18:19:43,271 INFO [main.py:798]
{rank 0/64} MD step = 600 step time: 00:00:00.162711 Performance: 65.798 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-07 18:19:49,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 600 120 59.792 -32321 6553.2 -38875 -38875 -0.00046669 -0.00062861 -0.00054289 616.08 2024-05-07 18:20:05,021 INFO [main.py:798]
{rank 0/64} MD step = 700 step time: 00:00:00.155455 Performance: 67.451 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 18:20:11,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 700 140 60.636 -32271 6645.8 -38917 -38917 -0.00040002 -0.00024763 -0.0007429 800.97 2024-05-07 18:20:26,846 INFO [main.py:798]
{rank 0/64} MD step = 800 step time: 00:00:00.149766 Performance: 68.722 ns/day 0.349 hours/ns 3.977 steps/s 2024-05-07 18:20:32,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 800 160 60.088 -32245 6585.8 -38830 -38830 -0.00034288 -0.00041907 -0.00015239 1000.4 2024-05-07 18:20:50,372 INFO [main.py:798]
{rank 0/64} MD step = 900 step time: 00:00:00.160275 Performance: 69.216 ns/day 0.347 hours/ns 4.006 steps/s 2024-05-07 18:20:58,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 900 180 60.482 -32331 6628.9 -38960 -38960 -0.00027621 -0.00056194 -1.9049e-05 1169 2024-05-07 18:21:14,734 INFO [main.py:798]
{rank 0/64} MD step = 1000 step time: 00:00:00.158376 Performance: 69.384 ns/day 0.346 hours/ns 4.015 steps/s 2024-05-07 18:21:21,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1000 200 60.946 -32052 6679.8 -38732 -38732 -0.00044764 -1.9049e-05 -0.00022858 1358.5 2024-05-07 18:21:37,945 INFO [main.py:798]
{rank 0/64} MD step = 1100 step time: 00:00:00.159380 Performance: 69.815 ns/day 0.344 hours/ns 4.040 steps/s 2024-05-07 18:21:45,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1100 220 59.201 -32477 6488.5 -38965 -38965 -0.00025716 -0.00068575 -0.00047146 1496.7 2024-05-07 18:22:01,258 INFO [main.py:798]
{rank 0/64} MD step = 1200 step time: 00:00:00.161219 Performance: 70.155 ns/day 0.342 hours/ns 4.060 steps/s 2024-05-07 18:22:18,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1200 240 59.081 -32516 6475.4 -38991 -38991 0.00035716 -0.00025716 -0.00067623 1661 2024-05-07 18:22:34,430 INFO [main.py:798]
{rank 0/64} MD step = 1300 step time: 00:00:00.166086 Performance: 68.333 ns/day 0.351 hours/ns 3.954 steps/s 2024-05-07 18:22:54,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1300 260 59.726 -32471 6546.1 -39017 -39017 -0.00057146 7.6195e-05 -0.00062861 1844.8 2024-05-07 18:23:09,788 INFO [main.py:798]
{rank 0/64} MD step = 1400 step time: 00:00:00.158874 Performance: 66.445 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-07 18:23:17,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1400 280 60.295 -32366 6608.4 -38974 -38974 0.00021906 5.7146e-05 -1.9049e-05 1988.2 2024-05-07 18:23:34,025 INFO [main.py:798]
{rank 0/64} MD step = 1500 step time: 00:00:00.166225 Performance: 66.747 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-07 18:23:39,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1500 300 59.393 -32524 6509.6 -39034 -39034 -0.00019049 -0.00049527 -0.00059051 2186.8 2024-05-07 18:23:56,106 INFO [main.py:798]
{rank 0/64} MD step = 1600 step time: 00:00:00.160058 Performance: 67.366 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-07 18:24:02,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1600 320 59.991 -32548 6575.1 -39123 -39123 -0.00014287 -0.00053336 -0.00025716 2329 2024-05-07 18:24:18,308 INFO [main.py:798]
{rank 0/64} MD step = 1700 step time: 00:00:00.162322 Performance: 67.903 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 18:24:26,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1700 340 60.08 -32517 6584.9 -39102 -39102 -0.00028573 0.00020954 -0.00025716 2490 2024-05-07 18:24:42,076 INFO [main.py:798]
{rank 0/64} MD step = 1800 step time: 00:00:00.157009 Performance: 68.153 ns/day 0.352 hours/ns 3.944 steps/s 2024-05-07 18:24:48,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1800 360 59.514 -32691 6522.8 -39214 -39214 -0.00025716 -0.00068337 -1.9049e-05 2663 2024-05-07 18:25:04,470 INFO [main.py:798]
{rank 0/64} MD step = 1900 step time: 00:00:00.166186 Performance: 68.574 ns/day 0.350 hours/ns 3.968 steps/s 2024-05-07 18:25:10,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1900 380 60.446 -32573 6624.9 -39198 -39198 -0.00027621 -0.00026668 -0.00047622 2831.1 2024-05-07 18:25:26,159 INFO [main.py:798]
{rank 0/64} MD step = 2000 step time: 00:00:00.163991 Performance: 69.055 ns/day 0.348 hours/ns 3.996 steps/s 2024-05-07 18:25:32,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2000 400 59.336 -32683 6503.3 -39186 -39186 -0.00022858 -0.00049527 -0.0007048 3002.6 2024-05-07 18:25:48,246 INFO [main.py:798]
{rank 0/64} MD step = 2100 step time: 00:00:00.163814 Performance: 69.442 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 18:25:53,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2100 420 59.517 -32669 6523.1 -39192 -39192 2.8573e-05 -0.00024763 -0.00069528 3191.6 2024-05-07 18:26:09,194 INFO [main.py:798]
{rank 0/64} MD step = 2200 step time: 00:00:00.162141 Performance: 69.945 ns/day 0.343 hours/ns 4.048 steps/s 2024-05-07 18:26:15,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2200 440 60.88 -32501 6672.5 -39174 -39174 -0.00047622 -0.00053336 -0.00034288 3386.7 2024-05-07 18:26:30,819 INFO [main.py:798]
{rank 0/64} MD step = 2300 step time: 00:00:00.163663 Performance: 70.326 ns/day 0.341 hours/ns 4.070 steps/s 2024-05-07 18:26:36,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2300 460 59.877 -32524 6562.6 -39087 -39087 -0.00026668 -0.00013334 -0.00017144 3551.9 2024-05-07 18:26:52,334 INFO [main.py:798]
{rank 0/64} MD step = 2400 step time: 00:00:00.158423 Performance: 70.692 ns/day 0.339 hours/ns 4.091 steps/s 2024-05-07 18:27:17,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2400 480 59.762 -32630 6549.9 -39180 -39180 0.00019049 -0.00040002 -0.0006667 3667.5 2024-05-07 18:27:33,723 INFO [main.py:798]
{rank 0/64} MD step = 2500 step time: 00:00:00.170410 Performance: 68.786 ns/day 0.349 hours/ns 3.981 steps/s 2024-05-07 18:27:52,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2500 500 59.114 -32733 6479 -39212 -39212 -0.00013334 -0.00038097 -0.0006667 3844.4 2024-05-07 18:28:08,243 INFO [main.py:798]
{rank 0/64} MD step = 2600 step time: 00:00:00.189721 Performance: 67.810 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 18:28:13,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2600 520 60.065 -32611 6583.2 -39194 -39194 0.00024763 -9.5243e-05 3.8097e-05 4020.3 2024-05-07 18:28:29,767 INFO [main.py:798]
{rank 0/64} MD step = 2700 step time: 00:00:00.162248 Performance: 68.203 ns/day 0.352 hours/ns 3.947 steps/s 2024-05-07 18:28:33,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2700 540 61.251 -32478 6713.2 -39191 -39191 -0.00024763 -0.00035716 -0.00022858 4180.8 2024-05-07 18:28:50,553 INFO [main.py:798]
{rank 0/64} MD step = 2800 step time: 00:00:00.152890 Performance: 68.643 ns/day 0.350 hours/ns 3.972 steps/s 2024-05-07 18:28:59,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2800 560 59.52 -32570 6523.5 -39094 -39094 -3.8097e-05 -0.00068575 -0.00053336 4371.1 2024-05-07 18:29:14,964 INFO [main.py:798]
{rank 0/64} MD step = 2900 step time: 00:00:00.168475 Performance: 68.715 ns/day 0.349 hours/ns 3.977 steps/s 2024-05-07 18:29:23,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2900 580 59.927 -32547 6568.1 -39115 -39115 -0.00043812 -0.00057146 -0.00015239 4555.8 2024-05-07 18:29:39,380 INFO [main.py:798]
{rank 0/64} MD step = 3000 step time: 00:00:00.166199 Performance: 68.781 ns/day 0.349 hours/ns 3.980 steps/s 2024-05-07 18:29:46,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3000 600 59.271 -32575 6496.2 -39071 -39071 -0.00045717 -0.0006667 -0.00053336 4730.7 2024-05-07 18:30:02,921 INFO [main.py:798]
{rank 0/64} MD step = 3100 step time: 00:00:00.155534 Performance: 68.921 ns/day 0.348 hours/ns 3.988 steps/s 2024-05-07 18:30:09,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3100 620 59.237 -32678 6492.4 -39171 -39171 -7.6195e-05 -0.00059051 -0.00058099 4893.1 2024-05-07 18:30:25,684 INFO [main.py:798]
{rank 0/64} MD step = 3200 step time: 00:00:00.164720 Performance: 69.120 ns/day 0.347 hours/ns 4.000 steps/s 2024-05-07 18:30:32,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3200 640 59.466 -32656 6517.5 -39174 -39174 -0.00019049 -0.00040955 0.00011429 5096.5 2024-05-07 18:30:47,953 INFO [main.py:798]
{rank 0/64} MD step = 3300 step time: 00:00:00.155274 Performance: 69.350 ns/day 0.346 hours/ns 4.013 steps/s 2024-05-07 18:30:54,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3300 660 59.52 -32758 6523.5 -39282 -39282 -0.00024763 -0.00044764 -0.00067623 5238.4 2024-05-07 18:31:09,349 INFO [main.py:798]
{rank 0/64} MD step = 3400 step time: 00:00:00.161955 Performance: 69.639 ns/day 0.345 hours/ns 4.030 steps/s 2024-05-07 18:31:15,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3400 680 60.536 -32486 6634.8 -39120 -39120 3.8097e-05 -0.0004286 -0.00073337 5449.3 2024-05-07 18:31:31,305 INFO [main.py:798]
{rank 0/64} MD step = 3500 step time: 00:00:00.160201 Performance: 69.869 ns/day 0.344 hours/ns 4.043 steps/s 2024-05-07 18:31:40,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3500 700 60.336 -32568 6612.9 -39181 -39181 -0.00028097 -0.0003905 -0.00040002 5551.2 2024-05-07 18:31:54,822 INFO [main.py:798]
{rank 0/64} MD step = 3600 step time: 00:00:00.145530 Performance: 69.964 ns/day 0.343 hours/ns 4.049 steps/s 2024-05-07 18:32:00,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3600 720 59.918 -32475 6567.1 -39042 -39042 -0.00030478 -0.00045717 -0.00057146 5787.5 2024-05-07 18:32:18,412 INFO [main.py:798]
{rank 0/64} MD step = 3700 step time: 00:00:00.148285 Performance: 70.049 ns/day 0.343 hours/ns 4.054 steps/s 2024-05-07 18:32:30,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3700 740 59.836 -32635 6558.1 -39193 -39193 -0.00030478 -0.00057146 -0.00014763 5954.1 2024-05-07 18:32:46,420 INFO [main.py:798]
{rank 0/64} MD step = 3800 step time: 00:00:00.161396 Performance: 69.801 ns/day 0.344 hours/ns 4.039 steps/s 2024-05-07 18:32:53,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3800 760 59.711 -32657 6544.4 -39202 -39202 -0.00022858 -0.00044764 5.7146e-05 6091.7 2024-05-07 18:33:09,919 INFO [main.py:798]
{rank 0/64} MD step = 3900 step time: 00:00:00.165853 Performance: 69.892 ns/day 0.343 hours/ns 4.045 steps/s 2024-05-07 18:33:15,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3900 780 59.567 -32585 6528.7 -39114 -39114 -0.00049527 -0.00026668 -0.00013334 6287 2024-05-07 18:33:30,598 INFO [main.py:798]
{rank 0/64} MD step = 4000 step time: 00:00:00.163751 Performance: 70.179 ns/day 0.342 hours/ns 4.061 steps/s 2024-05-07 18:33:47,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4000 800 60.147 -32648 6592.2 -39240 -39240 -0.00030478 -0.00029525 -0.00041907 6425.9 2024-05-07 18:34:03,711 INFO [main.py:798]
{rank 0/64} MD step = 4100 step time: 00:00:00.156631 Performance: 69.593 ns/day 0.345 hours/ns 4.027 steps/s 2024-05-07 18:34:19,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4100 820 59.564 -32674 6528.3 -39202 -39202 -0.00041907 -0.00043812 -0.00060956 6606.2 2024-05-07 18:34:34,808 INFO [main.py:798]
{rank 0/64} MD step = 4200 step time: 00:00:00.156626 Performance: 69.178 ns/day 0.347 hours/ns 4.003 steps/s 2024-05-07 18:34:38,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4200 840 59.952 -32478 6570.8 -39049 -39049 -0.00032383 -0.00048574 3.8097e-05 6784.5 2024-05-07 18:34:54,932 INFO [main.py:798]
{rank 0/64} MD step = 4300 step time: 00:00:00.153356 Performance: 69.492 ns/day 0.345 hours/ns 4.022 steps/s 2024-05-07 18:34:59,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4300 860 59.762 -32528 6550 -39078 -39078 -0.00020954 -0.00047622 -0.00013334 6938 2024-05-07 18:35:16,124 INFO [main.py:798]
{rank 0/64} MD step = 4400 step time: 00:00:00.152317 Performance: 69.726 ns/day 0.344 hours/ns 4.035 steps/s 2024-05-07 18:35:21,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4400 880 61.464 -32423 6736.5 -39160 -39160 -0.00030478 -0.0006667 -0.0007429 7096.2 2024-05-07 18:35:36,675 INFO [main.py:798]
{rank 0/64} MD step = 4500 step time: 00:00:00.158849 Performance: 69.991 ns/day 0.343 hours/ns 4.050 steps/s 2024-05-07 18:35:41,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4500 900 60.084 -32442 6585.3 -39028 -39028 -0.00014763 -0.00049527 -0.00011429 7270.7 2024-05-07 18:35:57,309 INFO [main.py:798]
{rank 0/64} MD step = 4600 step time: 00:00:00.150781 Performance: 70.242 ns/day 0.342 hours/ns 4.065 steps/s 2024-05-07 18:36:02,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4600 920 59.96 -32504 6571.7 -39076 -39076 -0.0003905 -0.00026668 -0.00076195 7405 2024-05-07 18:36:18,974 INFO [main.py:798]
{rank 0/64} MD step = 4700 step time: 00:00:00.158655 Performance: 70.421 ns/day 0.341 hours/ns 4.075 steps/s 2024-05-07 18:36:28,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4700 940 60.06 -32441 6582.6 -39024 -39024 -0.00027621 -0.00053336 -0.00072385 7573.1 2024-05-07 18:36:44,592 INFO [main.py:798]
{rank 0/64} MD step = 4800 step time: 00:00:00.156326 Performance: 70.356 ns/day 0.341 hours/ns 4.072 steps/s 2024-05-07 18:36:50,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4800 960 60.804 -32500 6664.2 -39165 -39165 -0.00026668 -0.00060956 -0.00041907 7751 2024-05-07 18:37:07,149 INFO [main.py:798]
{rank 0/64} MD step = 4900 step time: 00:00:00.172608 Performance: 70.474 ns/day 0.341 hours/ns 4.078 steps/s 2024-05-07 18:37:13,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4900 980 59.566 -32511 6528.5 -39039 -39039 -0.00044288 -0.00051431 -2.8573e-05 7946.1 2024-05-07 18:37:28,987 INFO [main.py:798]
{rank 0/64} MD step = 5000 step time: 00:00:00.161438 Performance: 70.628 ns/day 0.340 hours/ns 4.087 steps/s 2024-05-07 18:37:34,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5000 1000 59.993 -32608 6575.3 -39184 -39184 -0.00041907 -0.00040002 -3.8097e-05 8132.6 2024-05-07 18:37:50,571 INFO [main.py:798]
{rank 0/64} MD step = 5100 step time: 00:00:00.164443 Performance: 70.792 ns/day 0.339 hours/ns 4.097 steps/s 2024-05-07 18:37:57,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5100 1020 59.878 -32438 6562.7 -39000 -39000 -0.00036193 -0.00044764 -7.6195e-05 8333.6 2024-05-07 18:38:16,073 INFO [main.py:798]
{rank 0/64} MD step = 5200 step time: 00:00:00.160476 Performance: 70.731 ns/day 0.339 hours/ns 4.093 steps/s 2024-05-07 18:38:43,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5200 1040 60.006 -32389 6576.7 -38966 -38966 -0.00019049 0 -0.00076195 8495.9 2024-05-07 18:38:57,788 INFO [main.py:798]
{rank 0/64} MD step = 5300 step time: 00:00:00.137939 Performance: 69.799 ns/day 0.344 hours/ns 4.039 steps/s 2024-05-07 18:39:13,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5300 1060 60.967 -32539 6682 -39221 -39221 -0.00039526 -0.00060956 -7.6195e-05 8616.5 2024-05-07 18:39:28,983 INFO [main.py:798]
{rank 0/64} MD step = 5400 step time: 00:00:00.157979 Performance: 69.465 ns/day 0.345 hours/ns 4.020 steps/s 2024-05-07 18:39:34,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5400 1080 60.683 -32536 6650.9 -39187 -39187 -0.00013334 -0.00064766 -0.00044764 8800 2024-05-07 18:39:49,657 INFO [main.py:798]
{rank 0/64} MD step = 5500 step time: 00:00:00.167614 Performance: 69.679 ns/day 0.344 hours/ns 4.032 steps/s 2024-05-07 18:39:54,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5500 1100 59.778 -32579 6551.8 -39131 -39131 1.9049e-05 -0.00026668 -0.00018096 8993.9 2024-05-07 18:40:11,500 INFO [main.py:798]
{rank 0/64} MD step = 5600 step time: 00:00:00.163478 Performance: 69.827 ns/day 0.344 hours/ns 4.041 steps/s 2024-05-07 18:40:16,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5600 1120 60.754 -32409 6658.7 -39067 -39067 -0.00049527 -0.00040955 -0.00026668 9222.7 2024-05-07 18:40:32,395 INFO [main.py:798]
{rank 0/64} MD step = 5700 step time: 00:00:00.171287 Performance: 70.019 ns/day 0.343 hours/ns 4.052 steps/s 2024-05-07 18:40:38,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5700 1140 59.675 -32631 6540.4 -39172 -39172 -0.00053336 -0.00049527 -0.00040002 9387.9 2024-05-07 18:40:53,876 INFO [main.py:798]
{rank 0/64} MD step = 5800 step time: 00:00:00.158262 Performance: 70.175 ns/day 0.342 hours/ns 4.061 steps/s 2024-05-07 18:40:59,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5800 1160 60.07 -32548 6583.8 -39132 -39132 0.00018096 -0.00064766 -5.7146e-05 9573.4 2024-05-07 18:41:15,691 INFO [main.py:798]
{rank 0/64} MD step = 5900 step time: 00:00:00.168268 Performance: 70.311 ns/day 0.341 hours/ns 4.069 steps/s 2024-05-07 18:41:21,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5900 1180 60.277 -32539 6606.4 -39145 -39145 -0.00045717 -0.00072385 -0.00028573 9742.4 2024-05-07 18:41:36,591 INFO [main.py:798]
{rank 0/64} MD step = 6000 step time: 00:00:00.155519 Performance: 70.487 ns/day 0.340 hours/ns 4.079 steps/s 2024-05-07 18:41:45,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6000 1200 60.349 -32612 6614.3 -39226 -39226 -0.00033335 -0.00069528 0.00013334 9907.2 2024-05-07 18:42:01,210 INFO [main.py:798]
{rank 0/64} MD step = 6100 step time: 00:00:00.159855 Performance: 70.482 ns/day 0.341 hours/ns 4.079 steps/s 2024-05-07 18:42:06,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6100 1220 60.163 -32481 6593.9 -39075 -39075 -0.0004286 -0.00060956 -7.6195e-05 10101 2024-05-07 18:42:22,070 INFO [main.py:798]
{rank 0/64} MD step = 6200 step time: 00:00:00.158998 Performance: 70.652 ns/day 0.340 hours/ns 4.089 steps/s 2024-05-07 18:42:27,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6200 1240 59.56 -32725 6527.9 -39252 -39252 -0.00040002 -0.00045717 -0.00067623 10231 2024-05-07 18:42:42,950 INFO [main.py:798]
{rank 0/64} MD step = 6300 step time: 00:00:00.136733 Performance: 70.816 ns/day 0.339 hours/ns 4.098 steps/s 2024-05-07 18:43:07,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6300 1260 60.729 -32479 6656 -39135 -39135 -0.00048336 -0.00040002 -0.00019049 10419 2024-05-07 18:43:22,947 INFO [main.py:798]
{rank 0/64} MD step = 6400 step time: 00:00:00.147615 Performance: 70.116 ns/day 0.342 hours/ns 4.058 steps/s 2024-05-07 18:43:35,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6400 1280 60.091 -32610 6586.1 -39196 -39196 -0.00053336 -0.0007048 -9.5243e-05 10560 2024-05-07 18:43:57,305 INFO [main.py:798]
{rank 0/64} MD step = 6500 step time: 00:00:00.153848 Performance: 69.694 ns/day 0.344 hours/ns 4.033 steps/s 2024-05-07 18:44:04,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6500 1300 59.835 -32510 6557.9 -39068 -39068 -0.00049527 -0.00050479 -6.1908e-05 10731 2024-05-07 18:44:20,800 INFO [main.py:798]
{rank 0/64} MD step = 6600 step time: 00:00:00.160953 Performance: 69.749 ns/day 0.344 hours/ns 4.036 steps/s 2024-05-07 18:44:29,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6600 1320 59.833 -32644 6557.8 -39202 -39202 -0.00037859 -0.00053336 -0.00028573 10911 2024-05-07 18:44:44,699 INFO [main.py:798]
{rank 0/64} MD step = 6700 step time: 00:00:00.150022 Performance: 69.786 ns/day 0.344 hours/ns 4.039 steps/s 2024-05-07 18:44:55,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6700 1340 60.545 -32413 6635.8 -39049 -39049 -0.00034288 -0.00041907 6.667e-05 11092 2024-05-07 18:45:12,816 INFO [main.py:798]
{rank 0/64} MD step = 6800 step time: 00:00:00.158730 Performance: 69.647 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 18:45:22,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6800 1360 60.275 -32502 6606.3 -39109 -39109 -0.00025716 -0.00051431 -0.00076195 11289 2024-05-07 18:45:38,110 INFO [main.py:798]
{rank 0/64} MD step = 6900 step time: 00:00:00.154892 Performance: 69.628 ns/day 0.345 hours/ns 4.029 steps/s 2024-05-07 18:45:44,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6900 1380 61.002 -32390 6685.9 -39076 -39076 0.00013334 -0.00038097 -0.00049527 11466 2024-05-07 18:46:00,768 INFO [main.py:798]
{rank 0/64} MD step = 7000 step time: 00:00:00.158330 Performance: 69.714 ns/day 0.344 hours/ns 4.034 steps/s 2024-05-07 18:46:06,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7000 1400 59.863 -32634 6561.1 -39195 -39195 -0.00032383 -0.00032383 -0.00045717 11639 2024-05-07 18:46:23,512 INFO [main.py:798]
{rank 0/64} MD step = 7100 step time: 00:00:00.157425 Performance: 69.795 ns/day 0.344 hours/ns 4.039 steps/s 2024-05-07 18:46:29,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7100 1420 59.438 -32613 6514.4 -39127 -39127 -0.00050479 -0.00057146 -0.00041907 11832 2024-05-07 18:46:45,486 INFO [main.py:798]
{rank 0/64} MD step = 7200 step time: 00:00:00.165718 Performance: 69.904 ns/day 0.343 hours/ns 4.045 steps/s 2024-05-07 18:46:52,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7200 1440 59.485 -32713 6519.6 -39233 -39233 -0.00020001 -0.00013334 -0.00059051 11966 2024-05-07 18:47:10,392 INFO [main.py:798]
{rank 0/64} MD step = 7300 step time: 00:00:00.159499 Performance: 69.897 ns/day 0.343 hours/ns 4.045 steps/s 2024-05-07 18:47:26,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7300 1460 59.046 -32702 6471.5 -39174 -39174 -0.00033335 -0.00047622 -0.00030002 12161 2024-05-07 18:47:41,377 INFO [main.py:798]
{rank 0/64} MD step = 7400 step time: 00:00:00.155875 Performance: 69.659 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 18:47:59,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7400 1480 59.795 -32573 6553.6 -39127 -39127 0.00019049 9.5243e-06 -0.00053336 12329 2024-05-07 18:48:15,738 INFO [main.py:798]
{rank 0/64} MD step = 7500 step time: 00:00:00.155984 Performance: 69.303 ns/day 0.346 hours/ns 4.011 steps/s 2024-05-07 18:48:23,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7500 1500 60.647 -32521 6647 -39168 -39168 -0.00040955 -0.00038097 -0.00053336 12508 2024-05-07 18:48:40,619 INFO [main.py:798]
{rank 0/64} MD step = 7600 step time: 00:00:00.156377 Performance: 69.305 ns/day 0.346 hours/ns 4.011 steps/s 2024-05-07 18:48:48,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7600 1520 60.795 -32515 6663.2 -39178 -39178 2.3811e-05 -0.00050479 -0.00041907 12666 2024-05-07 18:49:04,234 INFO [main.py:798]
{rank 0/64} MD step = 7700 step time: 00:00:00.151055 Performance: 69.352 ns/day 0.346 hours/ns 4.013 steps/s 2024-05-07 18:49:10,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7700 1540 59.59 -32650 6531.1 -39181 -39181 0 -0.0004286 -0.00040002 12862 2024-05-07 18:49:26,887 INFO [main.py:798]
{rank 0/64} MD step = 7800 step time: 00:00:00.148749 Performance: 69.433 ns/day 0.346 hours/ns 4.018 steps/s 2024-05-07 18:49:32,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7800 1560 60.417 -32555 6621.7 -39177 -39177 -0.00032383 -0.00064289 -0.00059051 13058 2024-05-07 18:49:48,883 INFO [main.py:798]
{rank 0/64} MD step = 7900 step time: 00:00:00.152471 Performance: 69.535 ns/day 0.345 hours/ns 4.024 steps/s 2024-05-07 18:49:54,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7900 1580 59.602 -32694 6532.4 -39226 -39226 -0.00024763 -0.00053336 -0.00043812 13201 2024-05-07 18:50:10,127 INFO [main.py:798]
{rank 0/64} MD step = 8000 step time: 00:00:00.155100 Performance: 69.662 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 18:50:16,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8000 1600 59.547 -32625 6526.4 -39151 -39151 -0.00041193 -0.00035716 -0.00050479 13396 2024-05-07 18:50:32,046 INFO [main.py:798]
{rank 0/64} MD step = 8100 step time: 00:00:00.145349 Performance: 69.762 ns/day 0.344 hours/ns 4.037 steps/s 2024-05-07 18:50:38,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8100 1620 59.242 -32644 6493 -39137 -39137 -0.00047622 -0.00022858 9.5243e-05 13555 2024-05-07 18:50:53,900 INFO [main.py:798]
{rank 0/64} MD step = 8200 step time: 00:00:00.150289 Performance: 69.862 ns/day 0.344 hours/ns 4.043 steps/s 2024-05-07 18:51:00,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8200 1640 60.432 -32432 6623.4 -39055 -39055 -0.00026668 -0.00031907 -0.00060003 13738 2024-05-07 18:51:17,082 INFO [main.py:798]
{rank 0/64} MD step = 8300 step time: 00:00:00.146510 Performance: 69.915 ns/day 0.343 hours/ns 4.046 steps/s 2024-05-07 18:51:22,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8300 1660 60.177 -32616 6595.5 -39211 -39211 -0.00045717 -0.00059051 -0.00063813 13871 2024-05-07 18:51:38,761 INFO [main.py:798]
{rank 0/64} MD step = 8400 step time: 00:00:00.157573 Performance: 70.018 ns/day 0.343 hours/ns 4.052 steps/s 2024-05-07 18:51:44,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8400 1680 60.927 -32396 6677.7 -39074 -39074 -0.00044288 -0.00041907 -0.00059051 14074 2024-05-07 18:51:59,862 INFO [main.py:798]
{rank 0/64} MD step = 8500 step time: 00:00:00.155551 Performance: 70.137 ns/day 0.342 hours/ns 4.059 steps/s 2024-05-07 18:52:18,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8500 1700 60.296 -32529 6608.5 -39137 -39137 -0.00049527 -0.00040002 -0.00049527 14239 2024-05-07 18:52:34,033 INFO [main.py:798]
{rank 0/64} MD step = 8600 step time: 00:00:00.157640 Performance: 69.823 ns/day 0.344 hours/ns 4.041 steps/s 2024-05-07 18:52:56,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8600 1720 59.607 -32573 6533 -39106 -39106 -0.00020001 -0.00057146 -0.00068099 14415 2024-05-07 18:53:12,367 INFO [main.py:798]
{rank 0/64} MD step = 8700 step time: 00:00:00.148705 Performance: 69.385 ns/day 0.346 hours/ns 4.015 steps/s 2024-05-07 18:53:19,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8700 1740 60.833 -32538 6667.4 -39205 -39205 -0.00060956 -0.0006667 -3.8097e-05 14554 2024-05-07 18:53:35,494 INFO [main.py:798]
{rank 0/64} MD step = 8800 step time: 00:00:00.173692 Performance: 69.442 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 18:53:42,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8800 1760 59.673 -32659 6540.2 -39199 -39199 -0.00026668 -0.00048098 -0.00063813 14731 2024-05-07 18:53:58,516 INFO [main.py:798]
{rank 0/64} MD step = 8900 step time: 00:00:00.147082 Performance: 69.500 ns/day 0.345 hours/ns 4.022 steps/s 2024-05-07 18:54:03,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8900 1780 59.513 -32671 6522.7 -39193 -39193 -0.00013334 -0.00040002 -0.00046669 14925 2024-05-07 18:54:19,960 INFO [main.py:798]
{rank 0/64} MD step = 9000 step time: 00:00:00.158980 Performance: 69.606 ns/day 0.345 hours/ns 4.028 steps/s 2024-05-07 18:54:24,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9000 1800 59.969 -32646 6572.7 -39219 -39219 -0.00034288 -0.00041907 -0.00038097 15084 2024-05-07 18:54:44,385 INFO [main.py:798]
{rank 0/64} MD step = 9100 step time: 00:00:00.166504 Performance: 69.619 ns/day 0.345 hours/ns 4.029 steps/s 2024-05-07 18:54:49,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9100 1820 60.604 -32540 6642.2 -39182 -39182 -0.00030478 -0.00044764 -0.00060956 15241 2024-05-07 18:55:05,162 INFO [main.py:798]
{rank 0/64} MD step = 9200 step time: 00:00:00.165650 Performance: 69.742 ns/day 0.344 hours/ns 4.036 steps/s 2024-05-07 18:55:11,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9200 1840 60.427 -32503 6622.9 -39125 -39125 0 -0.00045717 -0.0003524 15427 2024-05-07 18:55:27,633 INFO [main.py:798]
{rank 0/64} MD step = 9300 step time: 00:00:00.161504 Performance: 69.812 ns/day 0.344 hours/ns 4.040 steps/s 2024-05-07 18:55:34,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9300 1860 60.437 -32438 6623.9 -39062 -39062 -0.00036193 8.5719e-05 3.8097e-05 15599 2024-05-07 18:55:49,489 INFO [main.py:798]
{rank 0/64} MD step = 9400 step time: 00:00:00.156385 Performance: 69.899 ns/day 0.343 hours/ns 4.045 steps/s 2024-05-07 18:55:56,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9400 1880 59.725 -32438 6546 -38984 -38984 -0.00038574 -0.00059051 -0.00040002 15794 2024-05-07 18:56:11,675 INFO [main.py:798]
{rank 0/64} MD step = 9500 step time: 00:00:00.163660 Performance: 69.975 ns/day 0.343 hours/ns 4.049 steps/s 2024-05-07 18:56:18,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9500 1900 59.955 -32441 6571.2 -39012 -39012 -0.00063813 -0.00049527 -0.00044764 15916 2024-05-07 18:56:33,659 INFO [main.py:798]
{rank 0/64} MD step = 9600 step time: 00:00:00.154709 Performance: 70.055 ns/day 0.343 hours/ns 4.054 steps/s 2024-05-07 18:56:51,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9600 1920 60.365 -32655 6616.1 -39271 -39271 -0.00020954 -0.00049527 -0.00021906 16084 2024-05-07 18:57:07,073 INFO [main.py:798]
{rank 0/64} MD step = 9700 step time: 00:00:00.156311 Performance: 69.800 ns/day 0.344 hours/ns 4.039 steps/s 2024-05-07 18:57:33,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9700 1940 59.22 -32735 6490.6 -39226 -39226 -0.00041907 -0.00038097 -0.00015239 16260 2024-05-07 18:57:48,884 INFO [main.py:798]
{rank 0/64} MD step = 9800 step time: 00:00:00.146356 Performance: 69.312 ns/day 0.346 hours/ns 4.011 steps/s 2024-05-07 18:57:58,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9800 1960 60.669 -32511 6649.4 -39160 -39160 -0.00037145 1.9049e-05 -0.00057146 16428 2024-05-07 18:58:14,659 INFO [main.py:798]
{rank 0/64} MD step = 9900 step time: 00:00:00.134750 Performance: 69.289 ns/day 0.346 hours/ns 4.010 steps/s 2024-05-07 18:58:25,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9900 1980 59.785 -32535 6552.6 -39088 -39088 -0.00029525 -0.00041907 -0.00073337 16596 2024-05-07 18:58:42,043 INFO [main.py:798]
{rank 0/64} MD step = 10000 step time: 00:00:00.164323 Performance: 69.221 ns/day 0.347 hours/ns 4.006 steps/s 2024-05-07 18:58:47,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10000 2000 60.458 -32457 6626.3 -39084 -39084 -8.5719e-05 -0.00059051 -0.00036193 16751 2024-05-07 18:59:03,158 INFO [main.py:798]
{rank 0/64} MD step = 10100 step time: 00:00:00.166283 Performance: 69.327 ns/day 0.346 hours/ns 4.012 steps/s 2024-05-07 18:59:08,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10100 2020 59.904 -32528 6565.6 -39094 -39094 -0.00032383 -0.00034288 -0.00036193 16931 2024-05-07 18:59:23,883 INFO [main.py:798]
{rank 0/64} MD step = 10200 step time: 00:00:00.170921 Performance: 69.441 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 18:59:30,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10200 2040 59.673 -32577 6540.2 -39117 -39117 -0.00036193 4.7622e-05 -0.00040955 17109 2024-05-07 18:59:45,614 INFO [main.py:798]
{rank 0/64} MD step = 10300 step time: 00:00:00.193653 Performance: 69.527 ns/day 0.345 hours/ns 4.024 steps/s 2024-05-07 18:59:51,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10300 2060 59.685 -32597 6541.5 -39139 -39139 -0.0003524 -0.00049527 -0.00064766 17268 2024-05-07 19:00:06,204 INFO [main.py:798]
{rank 0/64} MD step = 10400 step time: 00:00:00.143440 Performance: 69.642 ns/day 0.345 hours/ns 4.030 steps/s 2024-05-07 19:00:12,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10400 2080 59.313 -32612 6500.8 -39113 -39113 -0.00022858 -0.00048574 -0.00056194 17435 2024-05-07 19:00:27,355 INFO [main.py:798]
{rank 0/64} MD step = 10500 step time: 00:00:00.149728 Performance: 69.740 ns/day 0.344 hours/ns 4.036 steps/s 2024-05-07 19:00:32,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10500 2100 59.744 -32583 6548 -39131 -39131 -0.00030478 -0.000781 -0.00045717 17639 2024-05-07 19:00:48,608 INFO [main.py:798]
{rank 0/64} MD step = 10600 step time: 00:00:00.149279 Performance: 69.833 ns/day 0.344 hours/ns 4.041 steps/s 2024-05-07 19:00:56,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10600 2120 61.201 -32564 6707.7 -39271 -39271 -0.00030478 -0.00036193 -3.8097e-05 17763 2024-05-07 19:01:13,442 INFO [main.py:798]
{rank 0/64} MD step = 10700 step time: 00:00:00.154237 Performance: 69.831 ns/day 0.344 hours/ns 4.041 steps/s 2024-05-07 19:01:28,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10700 2140 59.901 -32550 6565.3 -39115 -39115 -0.00045717 -0.00016191 -0.00047622 17933 2024-05-07 19:01:45,109 INFO [main.py:798]
{rank 0/64} MD step = 10800 step time: 00:00:00.150081 Performance: 69.651 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 19:02:09,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10800 2160 60.505 -32496 6631.5 -39127 -39127 -0.00041907 -0.00055241 -0.00064766 18102 2024-05-07 19:02:25,685 INFO [main.py:798]
{rank 0/64} MD step = 10900 step time: 00:00:00.170188 Performance: 69.247 ns/day 0.347 hours/ns 4.007 steps/s 2024-05-07 19:02:29,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10900 2180 60.192 -32542 6597.2 -39139 -39139 -0.00053336 -0.00069528 -3.8097e-05 18264 2024-05-07 19:02:48,188 INFO [main.py:798]
{rank 0/64} MD step = 11000 step time: 00:00:00.156730 Performance: 69.309 ns/day 0.346 hours/ns 4.011 steps/s 2024-05-07 19:02:54,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11000 2200 60.669 -32460 6649.4 -39110 -39110 -0.00043812 -0.00040955 9.0481e-05 18439 2024-05-07 19:03:10,838 INFO [main.py:798]
{rank 0/64} MD step = 11100 step time: 00:00:00.143424 Performance: 69.366 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 19:03:16,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11100 2220 60.764 -32488 6659.8 -39148 -39148 -0.00053336 -0.00053336 -0.00062861 18604 2024-05-07 19:03:32,523 INFO [main.py:798]
{rank 0/64} MD step = 11200 step time: 00:00:00.155605 Performance: 69.446 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:03:49,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11200 2240 59.199 -32559 6488.2 -39047 -39047 -0.00043336 -0.00049527 -0.00015239 18784 2024-05-07 19:04:05,558 INFO [main.py:798]
{rank 0/64} MD step = 11300 step time: 00:00:00.182394 Performance: 69.246 ns/day 0.347 hours/ns 4.007 steps/s 2024-05-07 19:04:19,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11300 2260 60.155 -32646 6593.1 -39239 -39239 -0.00034288 -0.00038097 -0.00075242 18938 2024-05-07 19:04:34,605 INFO [main.py:798]
{rank 0/64} MD step = 11400 step time: 00:00:00.152956 Performance: 69.146 ns/day 0.347 hours/ns 4.002 steps/s 2024-05-07 19:04:40,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11400 2280 61.072 -32460 6693.6 -39153 -39153 -0.0004905 -0.00043812 -0.00062861 19146 2024-05-07 19:04:56,291 INFO [main.py:798]
{rank 0/64} MD step = 11500 step time: 00:00:00.155121 Performance: 69.226 ns/day 0.347 hours/ns 4.006 steps/s 2024-05-07 19:05:01,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11500 2300 59.887 -32556 6563.7 -39120 -39120 -0.00020954 -0.00068575 -0.00016191 19341 2024-05-07 19:05:17,269 INFO [main.py:798]
{rank 0/64} MD step = 11600 step time: 00:00:00.155900 Performance: 69.321 ns/day 0.346 hours/ns 4.012 steps/s 2024-05-07 19:05:23,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11600 2320 59.384 -32663 6508.6 -39172 -39172 -0.00019049 -1.9049e-05 -0.00060956 19484 2024-05-07 19:05:39,114 INFO [main.py:798]
{rank 0/64} MD step = 11700 step time: 00:00:00.157846 Performance: 69.394 ns/day 0.346 hours/ns 4.016 steps/s 2024-05-07 19:05:57,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11700 2340 60.071 -32557 6583.9 -39141 -39141 -0.00043812 5.7146e-05 -0.00022858 19679 2024-05-07 19:06:13,377 INFO [main.py:798]
{rank 0/64} MD step = 11800 step time: 00:00:00.157175 Performance: 69.174 ns/day 0.347 hours/ns 4.003 steps/s 2024-05-07 19:06:25,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11800 2360 59.445 -32755 6515.3 -39270 -39270 -0.00041907 -5.7146e-05 -0.00026668 19839 2024-05-07 19:06:45,017 INFO [main.py:798]
{rank 0/64} MD step = 11900 step time: 00:00:00.155410 Performance: 69.020 ns/day 0.348 hours/ns 3.994 steps/s 2024-05-07 19:06:51,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11900 2380 59.63 -32530 6535.5 -39066 -39066 -0.00012858 -0.00064766 -0.0007048 20029 2024-05-07 19:07:07,300 INFO [main.py:798]
{rank 0/64} MD step = 12000 step time: 00:00:00.152879 Performance: 69.083 ns/day 0.347 hours/ns 3.998 steps/s 2024-05-07 19:07:18,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12000 2400 61.122 -32557 6699 -39256 -39256 -0.00045717 0 -0.00060956 20114 2024-05-07 19:07:34,145 INFO [main.py:798]
{rank 0/64} MD step = 12100 step time: 00:00:00.147636 Performance: 69.041 ns/day 0.348 hours/ns 3.995 steps/s 2024-05-07 19:07:39,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12100 2420 60.386 -32611 6618.3 -39229 -39229 -0.00028573 -0.00041907 -0.00045717 20355 2024-05-07 19:07:55,568 INFO [main.py:798]
{rank 0/64} MD step = 12200 step time: 00:00:00.192371 Performance: 69.123 ns/day 0.347 hours/ns 4.000 steps/s 2024-05-07 19:08:02,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12200 2440 59.668 -32643 6539.7 -39183 -39183 -0.0004286 -0.00046669 -0.00020954 20549 2024-05-07 19:08:18,573 INFO [main.py:798]
{rank 0/64} MD step = 12300 step time: 00:00:00.159093 Performance: 69.168 ns/day 0.347 hours/ns 4.003 steps/s 2024-05-07 19:08:22,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12300 2460 60.368 -32569 6616.4 -39185 -39185 -0.00030478 -0.0002524 -0.00057146 20684 2024-05-07 19:08:41,034 INFO [main.py:798]
{rank 0/64} MD step = 12400 step time: 00:00:00.165451 Performance: 69.224 ns/day 0.347 hours/ns 4.006 steps/s 2024-05-07 19:08:46,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12400 2480 59.879 -32438 6562.8 -39000 -39000 -0.00047622 7.6195e-05 -0.00045717 20884 2024-05-07 19:09:01,877 INFO [main.py:798]
{rank 0/64} MD step = 12500 step time: 00:00:00.167887 Performance: 69.315 ns/day 0.346 hours/ns 4.011 steps/s 2024-05-07 19:09:06,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12500 2500 60.447 -32503 6625.1 -39128 -39128 -0.00038097 -0.00040002 -0.00064766 21032 2024-05-07 19:09:21,083 INFO [main.py:798]
{rank 0/64} MD step = 12600 step time: 00:00:00.138309 Performance: 69.442 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:09:26,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12600 2520 60.891 -32545 6673.8 -39219 -39219 -0.00013334 -0.00044288 -0.0007048 21186 2024-05-07 19:09:42,651 INFO [main.py:798]
{rank 0/64} MD step = 12700 step time: 00:00:00.158493 Performance: 69.515 ns/day 0.345 hours/ns 4.023 steps/s 2024-05-07 19:09:50,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12700 2540 59.698 -32669 6543 -39212 -39212 -0.00022858 -0.00040002 -0.00045717 21371 2024-05-07 19:10:06,726 INFO [main.py:798]
{rank 0/64} MD step = 12800 step time: 00:00:00.163527 Performance: 69.532 ns/day 0.345 hours/ns 4.024 steps/s 2024-05-07 19:10:19,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12800 2560 59.868 -32502 6561.6 -39064 -39064 -0.00047622 0.00010477 -0.00066194 21586 2024-05-07 19:10:34,793 INFO [main.py:798]
{rank 0/64} MD step = 12900 step time: 00:00:00.164563 Performance: 69.462 ns/day 0.346 hours/ns 4.020 steps/s 2024-05-07 19:10:48,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12900 2580 61.03 -32458 6688.9 -39147 -39147 -0.0003905 -0.00049527 -0.00015239 21745 2024-05-07 19:11:05,427 INFO [main.py:798]
{rank 0/64} MD step = 13000 step time: 00:00:00.133600 Performance: 69.339 ns/day 0.346 hours/ns 4.013 steps/s 2024-05-07 19:11:17,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13000 2600 60.721 -32473 6655.1 -39128 -39128 -0.00034288 -0.00062861 -0.00064766 21896 2024-05-07 19:11:39,608 INFO [main.py:798]
{rank 0/64} MD step = 13100 step time: 00:00:00.168533 Performance: 69.143 ns/day 0.347 hours/ns 4.001 steps/s 2024-05-07 19:11:44,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13100 2620 59.725 -32532 6545.9 -39078 -39078 -0.00049527 -0.00049527 -0.00022858 22063 2024-05-07 19:12:00,076 INFO [main.py:798]
{rank 0/64} MD step = 13200 step time: 00:00:00.153573 Performance: 69.238 ns/day 0.347 hours/ns 4.007 steps/s 2024-05-07 19:12:06,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13200 2640 59.72 -32635 6545.4 -39181 -39181 -0.00019049 -0.00030478 -0.00017144 22255 2024-05-07 19:12:23,104 INFO [main.py:798]
{rank 0/64} MD step = 13300 step time: 00:00:00.161089 Performance: 69.278 ns/day 0.346 hours/ns 4.009 steps/s 2024-05-07 19:12:31,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13300 2660 60.268 -32453 6605.5 -39058 -39058 0.00012382 -0.00068575 -0.00030478 22433 2024-05-07 19:12:46,641 INFO [main.py:798]
{rank 0/64} MD step = 13400 step time: 00:00:00.154894 Performance: 69.307 ns/day 0.346 hours/ns 4.011 steps/s 2024-05-07 19:12:53,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13400 2680 60.738 -32552 6656.9 -39209 -39209 5.7146e-05 -0.0006667 -3.8097e-05 22564 2024-05-07 19:13:07,931 INFO [main.py:798]
{rank 0/64} MD step = 13500 step time: 00:00:00.160052 Performance: 69.382 ns/day 0.346 hours/ns 4.015 steps/s 2024-05-07 19:13:16,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13500 2700 59.776 -32741 6551.6 -39292 -39292 -0.00029525 -0.00051431 -0.00075242 22745 2024-05-07 19:13:31,925 INFO [main.py:798]
{rank 0/64} MD step = 13600 step time: 00:00:00.161825 Performance: 69.401 ns/day 0.346 hours/ns 4.016 steps/s 2024-05-07 19:13:38,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13600 2720 59.663 -32719 6539.2 -39259 -39259 -0.00055241 -0.00045717 -0.00051908 22944 2024-05-07 19:13:55,611 INFO [main.py:798]
{rank 0/64} MD step = 13700 step time: 00:00:00.185525 Performance: 69.426 ns/day 0.346 hours/ns 4.018 steps/s 2024-05-07 19:14:01,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13700 2740 60.477 -32667 6628.3 -39295 -39295 -0.0003405 -0.00049527 -0.00030002 23099 2024-05-07 19:14:16,848 INFO [main.py:798]
{rank 0/64} MD step = 13800 step time: 00:00:00.171551 Performance: 69.499 ns/day 0.345 hours/ns 4.022 steps/s 2024-05-07 19:14:21,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13800 2760 60.802 -32522 6664 -39186 -39186 0.00017144 -0.00053336 0 23276 2024-05-07 19:14:38,325 INFO [main.py:798]
{rank 0/64} MD step = 13900 step time: 00:00:00.168372 Performance: 69.568 ns/day 0.345 hours/ns 4.026 steps/s 2024-05-07 19:14:42,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13900 2780 59.898 -32608 6564.9 -39173 -39173 -0.00040478 -0.00065718 -0.00029049 23467 2024-05-07 19:14:58,435 INFO [main.py:798]
{rank 0/64} MD step = 14000 step time: 00:00:00.140746 Performance: 69.662 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 19:15:11,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14000 2800 60.279 -32589 6606.6 -39195 -39195 -0.00038097 -0.00055241 -5.7146e-05 23612 2024-05-07 19:15:31,581 INFO [main.py:798]
{rank 0/64} MD step = 14100 step time: 00:00:00.155116 Performance: 69.497 ns/day 0.345 hours/ns 4.022 steps/s 2024-05-07 19:15:47,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14100 2820 59.519 -32571 6523.4 -39094 -39094 -0.00038097 -0.00022858 0 23789 2024-05-07 19:16:03,338 INFO [main.py:798]
{rank 0/64} MD step = 14200 step time: 00:00:00.155353 Performance: 69.361 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 19:16:12,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14200 2840 59.742 -32571 6547.8 -39119 -39119 -0.00019049 -0.00037145 -0.0007048 23971 2024-05-07 19:16:28,700 INFO [main.py:798]
{rank 0/64} MD step = 14300 step time: 00:00:00.163182 Performance: 69.352 ns/day 0.346 hours/ns 4.013 steps/s 2024-05-07 19:16:35,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14300 2860 60.751 -32529 6658.4 -39188 -39188 -0.00026668 -0.00032383 -0.00019049 24155 2024-05-07 19:16:51,909 INFO [main.py:798]
{rank 0/64} MD step = 14400 step time: 00:00:00.163905 Performance: 69.385 ns/day 0.346 hours/ns 4.015 steps/s 2024-05-07 19:16:57,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14400 2880 59.95 -32735 6570.6 -39306 -39306 -0.00038097 -0.00062861 -0.00075242 24266 2024-05-07 19:17:13,132 INFO [main.py:798]
{rank 0/64} MD step = 14500 step time: 00:00:00.166279 Performance: 69.456 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:17:20,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14500 2900 61.019 -32368 6687.8 -39056 -39056 -0.00019049 -0.00059051 -0.00059051 24500 2024-05-07 19:17:36,452 INFO [main.py:798]
{rank 0/64} MD step = 14600 step time: 00:00:00.158408 Performance: 69.486 ns/day 0.345 hours/ns 4.021 steps/s 2024-05-07 19:17:42,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14600 2920 59.699 -32574 6543.1 -39117 -39117 -0.00026668 -0.00038097 -0.00059051 24658 2024-05-07 19:17:58,550 INFO [main.py:798]
{rank 0/64} MD step = 14700 step time: 00:00:00.166729 Performance: 69.539 ns/day 0.345 hours/ns 4.024 steps/s 2024-05-07 19:18:04,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14700 2940 59.855 -32480 6560.1 -39040 -39040 -0.00043812 -0.00036193 -0.00019049 24807 2024-05-07 19:18:20,223 INFO [main.py:798]
{rank 0/64} MD step = 14800 step time: 00:00:00.172597 Performance: 69.599 ns/day 0.345 hours/ns 4.028 steps/s 2024-05-07 19:18:26,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14800 2960 60.152 -32564 6592.8 -39157 -39157 -0.00024763 -7.6195e-05 -0.00010477 24950 2024-05-07 19:18:42,189 INFO [main.py:798]
{rank 0/64} MD step = 14900 step time: 00:00:00.163163 Performance: 69.653 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 19:18:47,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14900 2980 60.007 -32620 6576.8 -39197 -39197 -0.00018096 -0.00049527 -0.00065718 25126 2024-05-07 19:19:03,609 INFO [main.py:798]
{rank 0/64} MD step = 15000 step time: 00:00:00.167198 Performance: 69.716 ns/day 0.344 hours/ns 4.035 steps/s 2024-05-07 19:19:08,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15000 3000 60.645 -32345 6646.8 -38991 -38991 -0.00049527 -0.00040002 -0.00068575 25366 2024-05-07 19:19:24,305 INFO [main.py:798]
{rank 0/64} MD step = 15100 step time: 00:00:00.165016 Performance: 69.793 ns/day 0.344 hours/ns 4.039 steps/s 2024-05-07 19:19:32,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15100 3020 59.746 -32647 6548.2 -39195 -39195 -0.00047622 -0.00053336 -0.00026668 25524 2024-05-07 19:19:47,661 INFO [main.py:798]
{rank 0/64} MD step = 15200 step time: 00:00:00.150128 Performance: 69.819 ns/day 0.344 hours/ns 4.040 steps/s 2024-05-07 19:20:04,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15200 3040 60.373 -32581 6617 -39198 -39198 -0.00027621 -0.00076195 -0.00045717 25694 2024-05-07 19:20:19,437 INFO [main.py:798]
{rank 0/64} MD step = 15300 step time: 00:00:00.145810 Performance: 69.689 ns/day 0.344 hours/ns 4.033 steps/s 2024-05-07 19:20:37,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15300 3060 59.711 -32792 6544.4 -39336 -39336 -0.0003143 -0.00036193 -0.00015715 25851 2024-05-07 19:20:52,948 INFO [main.py:798]
{rank 0/64} MD step = 15400 step time: 00:00:00.154960 Performance: 69.531 ns/day 0.345 hours/ns 4.024 steps/s 2024-05-07 19:20:58,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15400 3080 60.716 -32626 6654.5 -39281 -39281 -0.00034288 -0.00059527 -0.00060956 26006 2024-05-07 19:21:14,870 INFO [main.py:798]
{rank 0/64} MD step = 15500 step time: 00:00:00.154372 Performance: 69.584 ns/day 0.345 hours/ns 4.027 steps/s 2024-05-07 19:21:20,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15500 3100 60.758 -32418 6659.1 -39078 -39078 -0.00030478 -0.00015239 -0.00038097 26215 2024-05-07 19:21:37,125 INFO [main.py:798]
{rank 0/64} MD step = 15600 step time: 00:00:00.160106 Performance: 69.630 ns/day 0.345 hours/ns 4.030 steps/s 2024-05-07 19:21:42,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15600 3120 59.332 -32550 6502.9 -39053 -39053 -0.00043812 -0.00044764 1.9049e-05 26389 2024-05-07 19:21:58,135 INFO [main.py:798]
{rank 0/64} MD step = 15700 step time: 00:00:00.172586 Performance: 69.698 ns/day 0.344 hours/ns 4.033 steps/s 2024-05-07 19:22:05,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15700 3140 60.7 -32540 6652.8 -39193 -39193 5.7146e-05 -0.00034288 -0.00038097 26543 2024-05-07 19:22:20,976 INFO [main.py:798]
{rank 0/64} MD step = 15800 step time: 00:00:00.155892 Performance: 69.733 ns/day 0.344 hours/ns 4.035 steps/s 2024-05-07 19:22:35,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15800 3160 59.502 -32695 6521.5 -39217 -39217 -0.00026668 -0.00062861 -0.00041907 26734 2024-05-07 19:22:50,257 INFO [main.py:798]
{rank 0/64} MD step = 15900 step time: 00:00:00.160859 Performance: 69.653 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 19:22:56,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15900 3180 59.463 -32614 6517.3 -39131 -39131 -0.00022858 -0.00047622 -0.0005667 26900 2024-05-07 19:23:12,220 INFO [main.py:798]
{rank 0/64} MD step = 16000 step time: 00:00:00.157958 Performance: 69.703 ns/day 0.344 hours/ns 4.034 steps/s 2024-05-07 19:23:17,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16000 3200 59.391 -32674 6509.4 -39184 -39184 -0.00011429 -0.00038097 -0.00045717 27064 2024-05-07 19:23:33,924 INFO [main.py:798]
{rank 0/64} MD step = 16100 step time: 00:00:00.160792 Performance: 69.757 ns/day 0.344 hours/ns 4.037 steps/s 2024-05-07 19:23:46,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16100 3220 60.506 -32620 6631.5 -39252 -39252 -0.00028573 -0.00043812 -0.00043812 27255 2024-05-07 19:24:02,565 INFO [main.py:798]
{rank 0/64} MD step = 16200 step time: 00:00:00.162583 Performance: 69.690 ns/day 0.344 hours/ns 4.033 steps/s 2024-05-07 19:24:19,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16200 3240 60.459 -32559 6626.4 -39185 -39185 -7.6195e-05 -0.00049527 5.7146e-05 27420 2024-05-07 19:24:34,880 INFO [main.py:798]
{rank 0/64} MD step = 16300 step time: 00:00:00.164646 Performance: 69.560 ns/day 0.345 hours/ns 4.025 steps/s 2024-05-07 19:24:50,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16300 3260 60.931 -32559 6678.1 -39237 -39237 0.00015239 -5.7146e-05 3.8097e-05 27607 2024-05-07 19:25:05,797 INFO [main.py:798]
{rank 0/64} MD step = 16400 step time: 00:00:00.169887 Performance: 69.457 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:25:14,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16400 3280 59.783 -32618 6552.3 -39171 -39171 -0.00014287 -0.00030478 -0.00046669 27764 2024-05-07 19:25:30,488 INFO [main.py:798]
{rank 0/64} MD step = 16500 step time: 00:00:00.162259 Performance: 69.460 ns/day 0.346 hours/ns 4.020 steps/s 2024-05-07 19:25:35,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16500 3300 60.135 -32606 6590.9 -39197 -39197 -0.00025716 -0.00061432 -1.9049e-05 27941 2024-05-07 19:25:51,471 INFO [main.py:798]
{rank 0/64} MD step = 16600 step time: 00:00:00.168991 Performance: 69.526 ns/day 0.345 hours/ns 4.023 steps/s 2024-05-07 19:25:56,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16600 3320 60.098 -32497 6586.8 -39084 -39084 -0.0004286 -0.00052384 -0.00034288 28158 2024-05-07 19:26:12,033 INFO [main.py:798]
{rank 0/64} MD step = 16700 step time: 00:00:00.168484 Performance: 69.598 ns/day 0.345 hours/ns 4.028 steps/s 2024-05-07 19:26:16,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16700 3340 60.201 -32505 6598.1 -39103 -39103 -0.00041907 -0.00041907 5.7146e-05 28326 2024-05-07 19:26:33,390 INFO [main.py:798]
{rank 0/64} MD step = 16800 step time: 00:00:00.162134 Performance: 69.656 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 19:26:38,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16800 3360 60.503 -32377 6631.2 -39008 -39008 -0.00040002 -0.00049527 -0.00060956 28499 2024-05-07 19:26:54,879 INFO [main.py:798]
{rank 0/64} MD step = 16900 step time: 00:00:00.160457 Performance: 69.711 ns/day 0.344 hours/ns 4.034 steps/s 2024-05-07 19:27:00,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16900 3380 60.308 -32514 6609.8 -39124 -39124 -0.00028573 -0.00032383 -0.00026668 28679 2024-05-07 19:27:15,953 INFO [main.py:798]
{rank 0/64} MD step = 17000 step time: 00:00:00.153576 Performance: 69.772 ns/day 0.344 hours/ns 4.038 steps/s 2024-05-07 19:27:22,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17000 3400 60.55 -32415 6636.3 -39052 -39052 -3.8097e-05 -0.00022858 -0.00057146 28852 2024-05-07 19:27:37,839 INFO [main.py:798]
{rank 0/64} MD step = 17100 step time: 00:00:00.156624 Performance: 69.820 ns/day 0.344 hours/ns 4.040 steps/s 2024-05-07 19:27:41,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17100 3420 59.356 -32732 6505.4 -39237 -39237 -0.00028573 -0.00043812 -7.6195e-05 28980 2024-05-07 19:27:58,215 INFO [main.py:798]
{rank 0/64} MD step = 17200 step time: 00:00:00.138668 Performance: 69.892 ns/day 0.343 hours/ns 4.045 steps/s 2024-05-07 19:28:14,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17200 3440 60.695 -32442 6652.2 -39094 -39094 -0.00022858 -0.00040002 -4.286e-05 29191 2024-05-07 19:28:30,830 INFO [main.py:798]
{rank 0/64} MD step = 17300 step time: 00:00:00.171807 Performance: 69.763 ns/day 0.344 hours/ns 4.037 steps/s 2024-05-07 19:28:38,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17300 3460 58.984 -32739 6464.8 -39204 -39204 -0.00027621 -9.5243e-05 -0.00049527 29326 2024-05-07 19:28:53,210 INFO [main.py:798]
{rank 0/64} MD step = 17400 step time: 00:00:00.156663 Performance: 69.802 ns/day 0.344 hours/ns 4.039 steps/s 2024-05-07 19:29:11,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17400 3480 60.705 -32513 6653.3 -39166 -39166 -0.00045717 -0.00030478 -0.00050479 29500 2024-05-07 19:29:26,118 INFO [main.py:798]
{rank 0/64} MD step = 17500 step time: 00:00:00.140529 Performance: 69.670 ns/day 0.344 hours/ns 4.032 steps/s 2024-05-07 19:29:45,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17500 3500 60.404 -32550 6620.3 -39171 -39171 -0.00036193 -0.00064766 -0.00019049 29666 2024-05-07 19:30:01,365 INFO [main.py:798]
{rank 0/64} MD step = 17600 step time: 00:00:00.154186 Performance: 69.504 ns/day 0.345 hours/ns 4.022 steps/s 2024-05-07 19:30:06,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17600 3520 60.811 -32560 6665 -39225 -39225 -0.00045717 -0.00060956 -9.5243e-05 29846 2024-05-07 19:30:24,231 INFO [main.py:798]
{rank 0/64} MD step = 17700 step time: 00:00:00.145902 Performance: 69.536 ns/day 0.345 hours/ns 4.024 steps/s 2024-05-07 19:30:33,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17700 3540 60.754 -32598 6658.7 -39257 -39257 -0.0003905 -0.00046669 -0.00083814 29999 2024-05-07 19:30:49,943 INFO [main.py:798]
{rank 0/64} MD step = 17800 step time: 00:00:00.157646 Performance: 69.522 ns/day 0.345 hours/ns 4.023 steps/s 2024-05-07 19:31:00,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17800 3560 60.379 -32528 6617.6 -39146 -39146 -0.00048574 -0.00054289 -8.5719e-05 30198 2024-05-07 19:31:16,267 INFO [main.py:798]
{rank 0/64} MD step = 17900 step time: 00:00:00.143874 Performance: 69.499 ns/day 0.345 hours/ns 4.022 steps/s 2024-05-07 19:31:48,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17900 3580 60.191 -32506 6597 -39103 -39103 -0.00028573 -0.00040002 0.00015239 30382 2024-05-07 19:32:04,738 INFO [main.py:798]
{rank 0/64} MD step = 18000 step time: 00:00:00.146122 Performance: 69.135 ns/day 0.347 hours/ns 4.001 steps/s 2024-05-07 19:32:11,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18000 3600 59.948 -32650 6570.4 -39220 -39220 -0.00028573 -0.00053336 -0.0007048 30559 2024-05-07 19:32:27,180 INFO [main.py:798]
{rank 0/64} MD step = 18100 step time: 00:00:00.147127 Performance: 69.174 ns/day 0.347 hours/ns 4.003 steps/s 2024-05-07 19:32:36,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18100 3620 59.194 -32744 6487.7 -39232 -39232 -0.00020954 -0.00030478 -0.00072385 30715 2024-05-07 19:32:51,398 INFO [main.py:798]
{rank 0/64} MD step = 18200 step time: 00:00:00.160349 Performance: 69.185 ns/day 0.347 hours/ns 4.004 steps/s 2024-05-07 19:32:59,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18200 3640 59.933 -32514 6568.7 -39083 -39083 -0.00010953 -0.00033335 1.9049e-05 30934 2024-05-07 19:33:15,317 INFO [main.py:798]
{rank 0/64} MD step = 18300 step time: 00:00:00.151839 Performance: 69.201 ns/day 0.347 hours/ns 4.005 steps/s 2024-05-07 19:33:31,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18300 3660 60.67 -32522 6649.5 -39172 -39172 -0.00047622 -0.00057146 -9.5243e-05 31098 2024-05-07 19:33:52,670 INFO [main.py:798]
{rank 0/64} MD step = 18400 step time: 00:00:00.139562 Performance: 69.015 ns/day 0.348 hours/ns 3.994 steps/s 2024-05-07 19:34:24,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18400 3680 59.73 -32627 6546.4 -39174 -39174 -1.9049e-05 -0.00057146 -7.6195e-05 31253 2024-05-07 19:34:40,356 INFO [main.py:798]
{rank 0/64} MD step = 18500 step time: 00:00:00.150972 Performance: 68.679 ns/day 0.349 hours/ns 3.975 steps/s 2024-05-07 19:34:46,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18500 3700 59.632 -32543 6535.8 -39079 -39079 -7.6195e-05 -0.00054765 -0.00062861 31451 2024-05-07 19:35:02,024 INFO [main.py:798]
{rank 0/64} MD step = 18600 step time: 00:00:00.156046 Performance: 68.731 ns/day 0.349 hours/ns 3.977 steps/s 2024-05-07 19:35:07,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18600 3720 60.319 -32510 6611 -39121 -39121 -9.5243e-05 -0.00041907 -0.0006667 31608 2024-05-07 19:35:24,482 INFO [main.py:798]
{rank 0/64} MD step = 18700 step time: 00:00:00.151784 Performance: 68.770 ns/day 0.349 hours/ns 3.980 steps/s 2024-05-07 19:35:29,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18700 3740 60.571 -32610 6638.6 -39249 -39249 -0.00026668 -0.00051431 -0.00011429 31770 2024-05-07 19:35:45,855 INFO [main.py:798]
{rank 0/64} MD step = 18800 step time: 00:00:00.150608 Performance: 68.825 ns/day 0.349 hours/ns 3.983 steps/s 2024-05-07 19:35:51,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18800 3760 60.325 -32557 6611.7 -39168 -39168 -0.00030478 -0.00047622 -0.00011429 31950 2024-05-07 19:36:07,093 INFO [main.py:798]
{rank 0/64} MD step = 18900 step time: 00:00:00.158335 Performance: 68.881 ns/day 0.348 hours/ns 3.986 steps/s 2024-05-07 19:36:15,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18900 3780 59.895 -32532 6564.5 -39097 -39097 -0.00030478 -0.00053336 -0.00047622 32108 2024-05-07 19:36:31,321 INFO [main.py:798]
{rank 0/64} MD step = 19000 step time: 00:00:00.147000 Performance: 68.893 ns/day 0.348 hours/ns 3.987 steps/s 2024-05-07 19:36:37,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19000 3800 59.916 -32496 6566.9 -39063 -39063 0.00023811 -0.00040955 -0.00029525 32304 2024-05-07 19:36:54,896 INFO [main.py:798]
{rank 0/64} MD step = 19100 step time: 00:00:00.157792 Performance: 68.915 ns/day 0.348 hours/ns 3.988 steps/s 2024-05-07 19:37:00,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19100 3820 60.371 -32665 6616.7 -39282 -39282 -0.00011429 -0.00022858 -0.00062861 32445 2024-05-07 19:37:16,868 INFO [main.py:798]
{rank 0/64} MD step = 19200 step time: 00:00:00.157617 Performance: 68.959 ns/day 0.348 hours/ns 3.991 steps/s 2024-05-07 19:37:21,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19200 3840 59.205 -32671 6489 -39160 -39160 -0.00020954 -0.00059051 -0.00061908 32638 2024-05-07 19:37:39,584 INFO [main.py:798]
{rank 0/64} MD step = 19300 step time: 00:00:00.156873 Performance: 68.993 ns/day 0.348 hours/ns 3.993 steps/s 2024-05-07 19:37:48,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19300 3860 60.352 -32585 6614.6 -39200 -39200 0.00012382 -0.00055241 -0.00019049 32785 2024-05-07 19:38:05,128 INFO [main.py:798]
{rank 0/64} MD step = 19400 step time: 00:00:00.161035 Performance: 68.986 ns/day 0.348 hours/ns 3.992 steps/s 2024-05-07 19:38:15,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19400 3880 60.323 -32512 6611.4 -39124 -39124 -0.00045717 -0.00043812 -0.00020954 32981 2024-05-07 19:38:36,132 INFO [main.py:798]
{rank 0/64} MD step = 19500 step time: 00:00:00.162653 Performance: 68.902 ns/day 0.348 hours/ns 3.987 steps/s 2024-05-07 19:38:56,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19500 3900 60.022 -32456 6578.5 -39035 -39035 -0.00036193 -0.00038574 -6.667e-05 33159 2024-05-07 19:39:12,028 INFO [main.py:798]
{rank 0/64} MD step = 19600 step time: 00:00:00.161691 Performance: 68.750 ns/day 0.349 hours/ns 3.979 steps/s 2024-05-07 19:39:15,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19600 3920 60.848 -32513 6669 -39182 -39182 -0.00045717 -7.6195e-05 -0.00057146 33324 2024-05-07 19:39:33,794 INFO [main.py:798]
{rank 0/64} MD step = 19700 step time: 00:00:00.161050 Performance: 68.797 ns/day 0.349 hours/ns 3.981 steps/s 2024-05-07 19:39:39,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19700 3940 60.119 -32487 6589.1 -39076 -39076 -0.00030478 -0.00050717 -5.7146e-05 33506 2024-05-07 19:39:55,290 INFO [main.py:798]
{rank 0/64} MD step = 19800 step time: 00:00:00.164737 Performance: 68.847 ns/day 0.349 hours/ns 3.984 steps/s 2024-05-07 19:40:00,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19800 3960 60.56 -32497 6637.5 -39135 -39135 -0.00027621 -0.00054289 -0.00026668 33682 2024-05-07 19:40:15,811 INFO [main.py:798]
{rank 0/64} MD step = 19900 step time: 00:00:00.166367 Performance: 68.911 ns/day 0.348 hours/ns 3.988 steps/s 2024-05-07 19:40:21,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19900 3980 60.184 -32588 6596.2 -39184 -39184 -0.00026668 -0.00056194 -0.0007429 33870 2024-05-07 19:40:37,414 INFO [main.py:798]
{rank 0/64} MD step = 20000 step time: 00:00:00.160755 Performance: 68.958 ns/day 0.348 hours/ns 3.991 steps/s 2024-05-07 19:40:42,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20000 4000 61.008 -32409 6686.6 -39096 -39096 0.00011429 -0.00049527 -0.00027621 34063 2024-05-07 19:40:58,465 INFO [main.py:798]
{rank 0/64} MD step = 20100 step time: 00:00:00.172230 Performance: 69.013 ns/day 0.348 hours/ns 3.994 steps/s 2024-05-07 19:41:05,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20100 4020 60.449 -32571 6625.2 -39196 -39196 -0.00045717 -0.00053336 -0.00043812 34221 2024-05-07 19:41:20,863 INFO [main.py:798]
{rank 0/64} MD step = 20200 step time: 00:00:00.169457 Performance: 69.049 ns/day 0.348 hours/ns 3.996 steps/s 2024-05-07 19:41:25,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20200 4040 58.943 -32589 6460.2 -39049 -39049 -0.00036193 -0.00040002 -1.9049e-05 34434 2024-05-07 19:41:41,018 INFO [main.py:798]
{rank 0/64} MD step = 20300 step time: 00:00:00.165957 Performance: 69.115 ns/day 0.347 hours/ns 4.000 steps/s 2024-05-07 19:41:46,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20300 4060 60.046 -32629 6581.1 -39210 -39210 -0.0003524 -0.00033335 -0.00022858 34584 2024-05-07 19:42:02,795 INFO [main.py:798]
{rank 0/64} MD step = 20400 step time: 00:00:00.169293 Performance: 69.159 ns/day 0.347 hours/ns 4.002 steps/s 2024-05-07 19:42:07,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20400 4080 60.423 -32525 6622.4 -39147 -39147 -0.00049527 -0.00053336 -2.8573e-05 34780 2024-05-07 19:42:22,794 INFO [main.py:798]
{rank 0/64} MD step = 20500 step time: 00:00:00.157688 Performance: 69.227 ns/day 0.347 hours/ns 4.006 steps/s 2024-05-07 19:42:39,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20500 4100 60.229 -32499 6601.1 -39100 -39100 -0.00026668 -0.00053813 -0.00020954 34954 2024-05-07 19:42:55,483 INFO [main.py:798]
{rank 0/64} MD step = 20600 step time: 00:00:00.177431 Performance: 69.123 ns/day 0.347 hours/ns 4.000 steps/s 2024-05-07 19:43:10,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20600 4120 60.632 -32464 6645.3 -39109 -39109 -0.00020954 -0.00034288 0.00011905 35115 2024-05-07 19:43:26,229 INFO [main.py:798]
{rank 0/64} MD step = 20700 step time: 00:00:00.161892 Performance: 69.046 ns/day 0.348 hours/ns 3.996 steps/s 2024-05-07 19:43:32,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20700 4140 59.335 -32691 6503.2 -39194 -39194 -0.00039526 -0.00043812 -0.0007048 35277 2024-05-07 19:43:47,972 INFO [main.py:798]
{rank 0/64} MD step = 20800 step time: 00:00:00.157192 Performance: 69.090 ns/day 0.347 hours/ns 3.998 steps/s 2024-05-07 19:43:53,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20800 4160 60.215 -32522 6599.6 -39121 -39121 -0.00038097 -0.00051431 -0.00013334 35469 2024-05-07 19:44:08,794 INFO [main.py:798]
{rank 0/64} MD step = 20900 step time: 00:00:00.156249 Performance: 69.145 ns/day 0.347 hours/ns 4.001 steps/s 2024-05-07 19:44:15,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20900 4180 59.885 -32637 6563.5 -39201 -39201 -0.00010477 -0.00052384 -0.00054289 35653 2024-05-07 19:44:30,591 INFO [main.py:798]
{rank 0/64} MD step = 21000 step time: 00:00:00.152833 Performance: 69.187 ns/day 0.347 hours/ns 4.004 steps/s 2024-05-07 19:44:35,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21000 4200 60.228 -32548 6601.1 -39150 -39150 -0.00036193 -0.00069528 -0.00011429 35801 2024-05-07 19:44:51,716 INFO [main.py:798]
{rank 0/64} MD step = 21100 step time: 00:00:00.152722 Performance: 69.238 ns/day 0.347 hours/ns 4.007 steps/s 2024-05-07 19:44:57,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21100 4220 60.285 -32653 6607.3 -39261 -39261 -0.00024763 -0.00034288 9.5243e-06 35974 2024-05-07 19:45:13,277 INFO [main.py:798]
{rank 0/64} MD step = 21200 step time: 00:00:00.164794 Performance: 69.282 ns/day 0.346 hours/ns 4.009 steps/s 2024-05-07 19:45:18,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21200 4240 60.622 -32568 6644.2 -39212 -39212 -0.00013334 -0.00034288 -0.00022858 36149 2024-05-07 19:45:35,159 INFO [main.py:798]
{rank 0/64} MD step = 21300 step time: 00:00:00.164476 Performance: 69.322 ns/day 0.346 hours/ns 4.012 steps/s 2024-05-07 19:45:40,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21300 4260 59.902 -32605 6565.4 -39171 -39171 -0.00027621 -0.00044764 1.9049e-05 36325 2024-05-07 19:45:56,553 INFO [main.py:798]
{rank 0/64} MD step = 21400 step time: 00:00:00.168831 Performance: 69.368 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 19:46:01,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21400 4280 60.604 -32542 6642.3 -39184 -39184 -0.00046669 -0.00047146 -0.00047622 36518 2024-05-07 19:46:17,460 INFO [main.py:798]
{rank 0/64} MD step = 21500 step time: 00:00:00.165444 Performance: 69.420 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-07 19:46:23,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21500 4300 60.649 -32639 6647.2 -39286 -39286 -0.00014287 -3.8097e-05 1.9049e-05 36667 2024-05-07 19:46:38,746 INFO [main.py:798]
{rank 0/64} MD step = 21600 step time: 00:00:00.154016 Performance: 69.467 ns/day 0.345 hours/ns 4.020 steps/s 2024-05-07 19:46:43,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21600 4320 60.603 -32609 6642.2 -39251 -39251 -5.2384e-05 -0.00026668 -0.00026668 36826 2024-05-07 19:46:59,770 INFO [main.py:798]
{rank 0/64} MD step = 21700 step time: 00:00:00.143659 Performance: 69.516 ns/day 0.345 hours/ns 4.023 steps/s 2024-05-07 19:47:19,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21700 4340 60.563 -32585 6637.8 -39222 -39222 -0.00049527 9.5243e-05 -0.00015239 37001 2024-05-07 19:47:32,981 INFO [main.py:798]
{rank 0/64} MD step = 21800 step time: 00:00:00.149304 Performance: 69.409 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-07 19:47:46,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21800 4360 59.499 -32623 6521.1 -39144 -39144 -0.00043812 -0.00045717 -0.00023811 37183 2024-05-07 19:48:01,505 INFO [main.py:798]
{rank 0/64} MD step = 21900 step time: 00:00:00.151181 Performance: 69.363 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 19:48:08,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21900 4380 59.814 -32633 6555.7 -39189 -39189 -0.00038097 -0.00048574 -0.00034288 37343 2024-05-07 19:48:24,576 INFO [main.py:798]
{rank 0/64} MD step = 22000 step time: 00:00:00.159023 Performance: 69.386 ns/day 0.346 hours/ns 4.015 steps/s 2024-05-07 19:48:30,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22000 4400 59.881 -32538 6563.1 -39101 -39101 -0.00038097 -0.00030478 -0.00045717 37525 2024-05-07 19:48:46,616 INFO [main.py:798]
{rank 0/64} MD step = 22100 step time: 00:00:00.162363 Performance: 69.422 ns/day 0.346 hours/ns 4.018 steps/s 2024-05-07 19:48:55,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22100 4420 59.353 -32602 6505.2 -39107 -39107 -0.00034288 -0.0004286 -0.00063813 37704 2024-05-07 19:49:09,826 INFO [main.py:798]
{rank 0/64} MD step = 22200 step time: 00:00:00.139433 Performance: 69.444 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:49:15,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22200 4440 59.372 -32758 6507.3 -39266 -39266 -0.00026668 -0.00038097 -0.00022858 37883 2024-05-07 19:49:34,095 INFO [main.py:798]
{rank 0/64} MD step = 22300 step time: 00:00:00.135922 Performance: 69.451 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:49:41,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22300 4460 60.496 -32435 6630.5 -39065 -39065 -0.00022382 -0.00049527 -0.00064766 38102 2024-05-07 19:49:57,813 INFO [main.py:798]
{rank 0/64} MD step = 22400 step time: 00:00:00.146983 Performance: 69.466 ns/day 0.345 hours/ns 4.020 steps/s 2024-05-07 19:50:05,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22400 4480 59.881 -32641 6563 -39204 -39204 -0.00030478 -0.00053336 -0.00028573 38232 2024-05-07 19:50:21,135 INFO [main.py:798]
{rank 0/64} MD step = 22500 step time: 00:00:00.148731 Performance: 69.485 ns/day 0.345 hours/ns 4.021 steps/s 2024-05-07 19:50:32,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22500 4500 61.462 -32438 6736.3 -39174 -39174 -0.00019049 -0.0004286 1.9049e-05 38407 2024-05-07 19:50:48,920 INFO [main.py:798]
{rank 0/64} MD step = 22600 step time: 00:00:00.160009 Performance: 69.449 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:50:55,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22600 4520 60.268 -32535 6605.4 -39140 -39140 -0.00021906 -0.00041907 -7.6195e-05 38598 2024-05-07 19:51:11,390 INFO [main.py:798]
{rank 0/64} MD step = 22700 step time: 00:00:00.173667 Performance: 69.479 ns/day 0.345 hours/ns 4.021 steps/s 2024-05-07 19:51:17,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22700 4540 59.891 -32659 6564.2 -39223 -39223 -0.00024763 5.7146e-05 -0.00027621 38750 2024-05-07 19:51:32,525 INFO [main.py:798]
{rank 0/64} MD step = 22800 step time: 00:00:00.156173 Performance: 69.524 ns/day 0.345 hours/ns 4.023 steps/s 2024-05-07 19:51:47,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22800 4560 60.668 -32499 6649.3 -39149 -39149 -0.00038097 -0.00047622 -0.00056194 38939 2024-05-07 19:52:03,031 INFO [main.py:798]
{rank 0/64} MD step = 22900 step time: 00:00:00.156071 Performance: 69.455 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:52:17,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22900 4580 59.858 -32706 6560.6 -39266 -39266 -0.00021906 -0.00026668 -0.00020954 39096 2024-05-07 19:52:33,128 INFO [main.py:798]
{rank 0/64} MD step = 23000 step time: 00:00:00.151342 Performance: 69.392 ns/day 0.346 hours/ns 4.016 steps/s 2024-05-07 19:52:43,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23000 4600 60.252 -32595 6603.7 -39199 -39199 -0.00030478 -0.00030478 -0.00064766 39264 2024-05-07 19:52:59,247 INFO [main.py:798]
{rank 0/64} MD step = 23100 step time: 00:00:00.154957 Performance: 69.378 ns/day 0.346 hours/ns 4.015 steps/s 2024-05-07 19:53:06,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23100 4620 59.872 -32621 6562 -39183 -39183 -0.00028573 -0.00041907 -0.00049527 39468 2024-05-07 19:53:22,186 INFO [main.py:798]
{rank 0/64} MD step = 23200 step time: 00:00:00.165731 Performance: 69.401 ns/day 0.346 hours/ns 4.016 steps/s 2024-05-07 19:53:27,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23200 4640 59.665 -32596 6539.3 -39136 -39136 -7.6195e-05 -0.00045717 0 39652 2024-05-07 19:53:45,340 INFO [main.py:798]
{rank 0/64} MD step = 23300 step time: 00:00:00.148577 Performance: 69.422 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-07 19:53:58,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23300 4660 60.353 -32598 6614.7 -39212 -39212 -0.00045241 -0.00038097 -0.00018096 39824 2024-05-07 19:54:15,124 INFO [main.py:798]
{rank 0/64} MD step = 23400 step time: 00:00:00.151472 Performance: 69.364 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 19:54:23,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23400 4680 60.136 -32735 6591 -39326 -39326 -0.00032383 -0.00045717 -0.00019525 39981 2024-05-07 19:54:39,481 INFO [main.py:798]
{rank 0/64} MD step = 23500 step time: 00:00:00.156320 Performance: 69.370 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 19:54:47,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23500 4700 59.825 -32521 6556.9 -39078 -39078 -0.00019049 -0.00049527 -7.6195e-05 40198 2024-05-07 19:55:02,129 INFO [main.py:798]
{rank 0/64} MD step = 23600 step time: 00:00:00.147833 Performance: 69.397 ns/day 0.346 hours/ns 4.016 steps/s 2024-05-07 19:55:22,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23600 4720 59.848 -32645 6559.4 -39204 -39204 -0.00024763 -0.00059051 -0.0006667 40360 2024-05-07 19:55:37,853 INFO [main.py:798]
{rank 0/64} MD step = 23700 step time: 00:00:00.139856 Performance: 69.270 ns/day 0.346 hours/ns 4.009 steps/s 2024-05-07 19:55:51,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23700 4740 59.832 -32642 6557.7 -39199 -39199 -0.00017144 -0.00042383 -0.0004286 40511 2024-05-07 19:56:07,493 INFO [main.py:798]
{rank 0/64} MD step = 23800 step time: 00:00:00.152520 Performance: 69.215 ns/day 0.347 hours/ns 4.006 steps/s 2024-05-07 19:56:23,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23800 4760 60.435 -32605 6623.7 -39229 -39229 -0.00028573 -0.00060003 -0.00016191 40669 2024-05-07 19:56:38,788 INFO [main.py:798]
{rank 0/64} MD step = 23900 step time: 00:00:00.165362 Performance: 69.142 ns/day 0.347 hours/ns 4.001 steps/s 2024-05-07 19:56:56,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23900 4780 59.876 -32655 6562.5 -39217 -39217 -0.00047622 -0.00065718 -3.8097e-05 40868 2024-05-07 19:57:12,054 INFO [main.py:798]
{rank 0/64} MD step = 24000 step time: 00:00:00.150217 Performance: 69.047 ns/day 0.348 hours/ns 3.996 steps/s 2024-05-07 19:57:21,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24000 4800 60.788 -32542 6662.4 -39204 -39204 -0.00047622 -0.00040002 -0.00060003 41077 2024-05-07 19:57:37,603 INFO [main.py:798]
{rank 0/64} MD step = 24100 step time: 00:00:00.159624 Performance: 69.041 ns/day 0.348 hours/ns 3.995 steps/s 2024-05-07 19:57:44,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24100 4820 60.741 -32525 6657.3 -39182 -39182 -0.00028573 -0.00021906 0 41257 2024-05-07 19:58:01,513 INFO [main.py:798]
{rank 0/64} MD step = 24200 step time: 00:00:00.169119 Performance: 69.053 ns/day 0.348 hours/ns 3.996 steps/s 2024-05-07 19:58:12,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24200 4840 59.164 -32694 6484.4 -39178 -39178 -0.00015239 -0.00045717 -0.00068575 41416 2024-05-07 19:58:27,922 INFO [main.py:798]
{rank 0/64} MD step = 24300 step time: 00:00:00.162348 Performance: 69.038 ns/day 0.348 hours/ns 3.995 steps/s 2024-05-07 19:58:33,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24300 4860 60.635 -32586 6645.7 -39231 -39231 -0.00030478 -0.00030478 -2.3811e-05 41563 2024-05-07 19:58:50,462 INFO [main.py:798]
{rank 0/64} MD step = 24400 step time: 00:00:00.152020 Performance: 69.066 ns/day 0.347 hours/ns 3.997 steps/s 2024-05-07 19:58:56,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24400 4880 60.169 -32583 6594.5 -39178 -39178 -0.00033335 -0.00043812 -0.00011429 41768 2024-05-07 19:59:11,696 INFO [main.py:798]
{rank 0/64} MD step = 24500 step time: 00:00:00.162272 Performance: 69.109 ns/day 0.347 hours/ns 3.999 steps/s 2024-05-07 19:59:15,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24500 4900 59.194 -32680 6487.8 -39167 -39167 -0.00038097 4.7622e-05 -0.00017144 41955 2024-05-07 19:59:32,150 INFO [main.py:798]
{rank 0/64} MD step = 24600 step time: 00:00:00.147683 Performance: 69.160 ns/day 0.347 hours/ns 4.002 steps/s 2024-05-07 19:59:38,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24600 4920 59.329 -32686 6502.6 -39189 -39189 -0.00036193 -0.00053336 -0.0007429 42125 2024-05-07 19:59:53,683 INFO [main.py:798]
{rank 0/64} MD step = 24700 step time: 00:00:00.157777 Performance: 69.198 ns/day 0.347 hours/ns 4.005 steps/s 2024-05-07 20:00:01,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24700 4940 59.831 -32742 6557.5 -39300 -39300 -0.00037145 -0.00032383 -0.00072385 42257 2024-05-07 20:00:17,875 INFO [main.py:798]
{rank 0/64} MD step = 24800 step time: 00:00:00.149334 Performance: 69.207 ns/day 0.347 hours/ns 4.005 steps/s 2024-05-07 20:00:28,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24800 4960 60.449 -32643 6625.3 -39268 -39268 -0.00026668 -0.00044764 -0.00038097 42433 2024-05-07 20:00:43,925 INFO [main.py:798]
{rank 0/64} MD step = 24900 step time: 00:00:00.153565 Performance: 69.195 ns/day 0.347 hours/ns 4.004 steps/s 2024-05-07 20:00:59,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24900 4980 59.787 -32521 6552.7 -39074 -39074 -0.00036193 -0.00049527 5.7146e-05 42635 2024-05-07 20:01:16,106 INFO [main.py:798]
{rank 0/64} MD step = 25000 step time: 00:00:00.138835 Performance: 69.115 ns/day 0.347 hours/ns 4.000 steps/s 2024-05-07 20:01:32,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25000 5000 60.525 -32515 6633.6 -39148 -39148 -0.00048574 -0.00059051 -0.00014763 42812 2024-05-07 20:01:47,894 INFO [main.py:798]
{rank 0/64} MD step = 25100 step time: 00:00:00.158968 Performance: 69.041 ns/day 0.348 hours/ns 3.995 steps/s 2024-05-07 20:01:56,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25100 5020 59.924 -32565 6567.8 -39133 -39133 -0.00018096 -0.00059051 -0.00022858 42986 2024-05-07 20:02:12,126 INFO [main.py:798]
{rank 0/64} MD step = 25200 step time: 00:00:00.163203 Performance: 69.049 ns/day 0.348 hours/ns 3.996 steps/s 2024-05-07 20:02:18,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25200 5040 59.599 -32527 6532.1 -39059 -39059 -0.00045717 -0.00034288 -0.00037621 43188 2024-05-07 20:02:33,615 INFO [main.py:798]
{rank 0/64} MD step = 25300 step time: 00:00:00.154050 Performance: 69.088 ns/day 0.347 hours/ns 3.998 steps/s 2024-05-07 20:02:39,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25300 5060 59.539 -32616 6525.6 -39141 -39141 -0.00034288 -0.00036193 -0.00045717 43345 2024-05-07 20:02:55,370 INFO [main.py:798]
{rank 0/64} MD step = 25400 step time: 00:00:00.163634 Performance: 69.123 ns/day 0.347 hours/ns 4.000 steps/s 2024-05-07 20:03:03,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25400 5080 59.223 -32817 6490.9 -39308 -39308 -0.00011429 -0.00041907 -0.00011429 43533 2024-05-07 20:03:19,419 INFO [main.py:798]
{rank 0/64} MD step = 25500 step time: 00:00:00.163414 Performance: 69.134 ns/day 0.347 hours/ns 4.001 steps/s 2024-05-07 20:03:25,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25500 5100 59.619 -32584 6534.3 -39118 -39118 0.00026668 -0.00025716 -0.00049527 43747 2024-05-07 20:03:41,682 INFO [main.py:798]
{rank 0/64} MD step = 25600 step time: 00:00:00.152277 Performance: 69.163 ns/day 0.347 hours/ns 4.003 steps/s 2024-05-07 20:03:46,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25600 5120 59.681 -32724 6541.1 -39265 -39265 -0.00015239 -0.00045717 -0.00060956 43897 2024-05-07 20:04:02,661 INFO [main.py:798]
{rank 0/64} MD step = 25700 step time: 00:00:00.162677 Performance: 69.206 ns/day 0.347 hours/ns 4.005 steps/s 2024-05-07 20:04:09,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25700 5140 59.888 -32571 6563.8 -39135 -39135 -0.00020954 -0.00038097 -0.00060956 44084 2024-05-07 20:04:24,923 INFO [main.py:798]
{rank 0/64} MD step = 25800 step time: 00:00:00.165527 Performance: 69.236 ns/day 0.347 hours/ns 4.007 steps/s 2024-05-07 20:04:30,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25800 5160 60.45 -32549 6625.4 -39174 -39174 -0.00036193 -0.00053336 -0.00068575 44285 2024-05-07 20:04:46,936 INFO [main.py:798]
{rank 0/64} MD step = 25900 step time: 00:00:00.161003 Performance: 69.267 ns/day 0.346 hours/ns 4.009 steps/s 2024-05-07 20:04:52,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25900 5180 60.21 -32558 6599.1 -39157 -39157 -0.00044764 -0.00019049 -0.00012382 44446 2024-05-07 20:05:08,515 INFO [main.py:798]
{rank 0/64} MD step = 26000 step time: 00:00:00.161216 Performance: 69.303 ns/day 0.346 hours/ns 4.011 steps/s 2024-05-07 20:05:15,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26000 5200 60.72 -32542 6655 -39197 -39197 -0.00048574 -0.00028573 -0.00038097 44626 2024-05-07 20:05:31,739 INFO [main.py:798]
{rank 0/64} MD step = 26100 step time: 00:00:00.155976 Performance: 69.321 ns/day 0.346 hours/ns 4.012 steps/s 2024-05-07 20:05:37,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26100 5220 60.47 -32518 6627.6 -39145 -39145 -0.00026668 -0.00072385 -0.0006667 44817 2024-05-07 20:05:52,880 INFO [main.py:798]
{rank 0/64} MD step = 26200 step time: 00:00:00.136534 Performance: 69.361 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 20:06:01,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26200 5240 60.456 -32531 6626.1 -39157 -39157 -0.00026668 -0.00050955 -7.6195e-05 44982 2024-05-07 20:06:17,838 INFO [main.py:798]
{rank 0/64} MD step = 26300 step time: 00:00:00.158470 Performance: 69.361 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 20:06:26,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26300 5260 59.386 -32659 6508.8 -39168 -39168 -0.00010001 -0.00022858 -0.00040002 45151 2024-05-07 20:06:41,973 INFO [main.py:798]
{rank 0/64} MD step = 26400 step time: 00:00:00.161631 Performance: 69.369 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 20:06:49,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26400 5280 60.637 -32384 6645.9 -39030 -39030 -0.00047622 -0.00019049 -0.00068575 45347 2024-05-07 20:07:05,572 INFO [main.py:798]
{rank 0/64} MD step = 26500 step time: 00:00:00.188917 Performance: 69.383 ns/day 0.346 hours/ns 4.015 steps/s 2024-05-07 20:07:12,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26500 5300 59.366 -32505 6506.6 -39011 -39011 -0.00041907 -0.00022858 -0.00026668 45529 2024-05-07 20:07:28,320 INFO [main.py:798]
{rank 0/64} MD step = 26600 step time: 00:00:00.148426 Performance: 69.406 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-07 20:07:37,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26600 5320 60.017 -32674 6578 -39252 -39252 0.00045717 -0.00034288 -0.00034764 45662 2024-05-07 20:07:53,215 INFO [main.py:798]
{rank 0/64} MD step = 26700 step time: 00:00:00.151648 Performance: 69.406 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-07 20:08:09,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26700 5340 60.199 -32500 6597.9 -39098 -39098 0.00022858 -0.00027621 5.4765e-05 45859 2024-05-07 20:08:25,568 INFO [main.py:798]
{rank 0/64} MD step = 26800 step time: 00:00:00.189386 Performance: 69.328 ns/day 0.346 hours/ns 4.012 steps/s 2024-05-07 20:08:46,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26800 5360 60.03 -32570 6579.3 -39149 -39149 -0.00037145 -0.00068575 -0.00067623 46033 2024-05-07 20:09:02,178 INFO [main.py:798]
{rank 0/64} MD step = 26900 step time: 00:00:00.136541 Performance: 69.208 ns/day 0.347 hours/ns 4.005 steps/s 2024-05-07 20:09:11,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26900 5380 59.093 -32664 6476.7 -39140 -39140 -0.00013334 -0.00047622 -0.00064766 46212 2024-05-07 20:09:27,886 INFO [main.py:798]
{rank 0/64} MD step = 27000 step time: 00:00:00.148652 Performance: 69.200 ns/day 0.347 hours/ns 4.005 steps/s 2024-05-07 20:09:36,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27000 5400 59.89 -32542 6564 -39106 -39106 0.00022858 -0.00048574 -0.00019049 46384 2024-05-07 20:09:52,470 INFO [main.py:798]
{rank 0/64} MD step = 27100 step time: 00:00:00.146718 Performance: 69.204 ns/day 0.347 hours/ns 4.005 steps/s 2024-05-07 20:10:05,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27100 5420 59.718 -32608 6545.2 -39153 -39153 -0.00032383 -0.00051431 -6.667e-05 46533 2024-05-07 20:10:21,265 INFO [main.py:798]
{rank 0/64} MD step = 27200 step time: 00:00:00.154177 Performance: 69.165 ns/day 0.347 hours/ns 4.003 steps/s 2024-05-07 20:10:27,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27200 5440 60.59 -32555 6640.7 -39196 -39196 -0.00027621 -0.00040002 -3.8097e-05 46689 2024-05-07 20:10:43,755 INFO [main.py:798]
{rank 0/64} MD step = 27300 step time: 00:00:00.158133 Performance: 69.190 ns/day 0.347 hours/ns 4.004 steps/s 2024-05-07 20:10:52,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27300 5460 60.192 -32642 6597.1 -39239 -39239 -0.00041907 -0.0007429 -0.00011429 46887 2024-05-07 20:11:08,817 INFO [main.py:798]
{rank 0/64} MD step = 27400 step time: 00:00:00.155859 Performance: 69.189 ns/day 0.347 hours/ns 4.004 steps/s 2024-05-07 20:11:20,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27400 5480 60.392 -32658 6619.1 -39277 -39277 -0.00020954 -0.00050479 4.7622e-05 47034 2024-05-07 20:11:37,107 INFO [main.py:798]
{rank 0/64} MD step = 27500 step time: 00:00:00.159725 Performance: 69.156 ns/day 0.347 hours/ns 4.002 steps/s 2024-05-07 20:11:44,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27500 5500 60.915 -32505 6676.3 -39182 -39182 -0.00016191 -0.00046193 -0.0005286 47232 2024-05-07 20:12:00,534 INFO [main.py:798]
{rank 0/64} MD step = 27600 step time: 00:00:00.166460 Performance: 69.172 ns/day 0.347 hours/ns 4.003 steps/s 2024-05-07 20:12:12,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27600 5520 60.04 -32520 6580.5 -39100 -39100 -0.00034288 -0.00025716 -0.00012382 47452 2024-05-07 20:12:28,788 INFO [main.py:798]
{rank 0/64} MD step = 27700 step time: 00:00:00.154871 Performance: 69.139 ns/day 0.347 hours/ns 4.001 steps/s 2024-05-07 20:12:47,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27700 5540 60.231 -32565 6601.4 -39166 -39166 -0.00045717 -0.0003905 -0.00045717 47612 2024-05-07 20:13:03,715 INFO [main.py:798]
{rank 0/64} MD step = 27800 step time: 00:00:00.159844 Performance: 69.040 ns/day 0.348 hours/ns 3.995 steps/s 2024-05-07 20:13:18,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27800 5560 60.588 -32556 6640.5 -39196 -39196 -4.7622e-05 -0.00057146 3.8097e-05 47806 2024-05-07 20:13:36,950 INFO [main.py:798]
{rank 0/64} MD step = 27900 step time: 00:00:00.157449 Performance: 68.959 ns/day 0.348 hours/ns 3.991 steps/s 2024-05-07 20:13:47,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27900 5580 59.594 -32631 6531.6 -39163 -39163 0.00019049 -0.00025716 -0.0007048 47981 2024-05-07 20:14:02,944 INFO [main.py:798]
{rank 0/64} MD step = 28000 step time: 00:00:00.148271 Performance: 68.950 ns/day 0.348 hours/ns 3.990 steps/s 2024-05-07 20:14:19,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28000 5600 59.799 -32521 6554.1 -39076 -39076 -0.00036193 -0.00040002 -0.0004286 48196 2024-05-07 20:14:35,037 INFO [main.py:798]
{rank 0/64} MD step = 28100 step time: 00:00:00.149242 Performance: 68.881 ns/day 0.348 hours/ns 3.986 steps/s 2024-05-07 20:14:41,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28100 5620 59.304 -32732 6499.8 -39232 -39232 -0.00045717 -0.00057146 -9.5243e-05 48333 2024-05-07 20:14:57,511 INFO [main.py:798]
{rank 0/64} MD step = 28200 step time: 00:00:00.141855 Performance: 68.907 ns/day 0.348 hours/ns 3.988 steps/s 2024-05-07 20:15:04,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28200 5640 59.76 -32593 6549.8 -39143 -39143 -0.00033335 -0.00055717 -3.8097e-05 48538 2024-05-07 20:15:21,211 INFO [main.py:798]
{rank 0/64} MD step = 28300 step time: 00:00:00.151397 Performance: 68.920 ns/day 0.348 hours/ns 3.988 steps/s 2024-05-07 20:15:27,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28300 5660 59.088 -32695 6476.1 -39171 -39171 -0.00018096 -0.00060003 -0.00060956 48738 2024-05-07 20:15:43,796 INFO [main.py:798]
{rank 0/64} MD step = 28400 step time: 00:00:00.144992 Performance: 68.944 ns/day 0.348 hours/ns 3.990 steps/s 2024-05-07 20:15:51,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28400 5680 59.867 -32706 6561.5 -39267 -39267 1.9049e-05 -0.0005667 -0.00047622 48891 2024-05-07 20:16:07,369 INFO [main.py:798]
{rank 0/64} MD step = 28500 step time: 00:00:00.153488 Performance: 68.959 ns/day 0.348 hours/ns 3.991 steps/s 2024-05-07 20:16:15,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28500 5700 59.954 -32694 6571 -39265 -39265 -0.00013334 -0.00011429 -0.00045717 49035 2024-05-07 20:16:31,625 INFO [main.py:798]
{rank 0/64} MD step = 28600 step time: 00:00:00.154045 Performance: 68.966 ns/day 0.348 hours/ns 3.991 steps/s 2024-05-07 20:16:38,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28600 5720 60.261 -32446 6604.7 -39051 -39051 -0.00051431 -0.00045717 -0.00075242 49217 2024-05-07 20:16:53,945 INFO [main.py:798]
{rank 0/64} MD step = 28700 step time: 00:00:00.151896 Performance: 68.993 ns/day 0.348 hours/ns 3.993 steps/s 2024-05-07 20:17:12,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28700 5740 59.434 -32729 6514 -39243 -39243 -0.00038097 -0.00058099 -0.00059051 49397 2024-05-07 20:17:28,651 INFO [main.py:798]
{rank 0/64} MD step = 28800 step time: 00:00:00.159769 Performance: 68.900 ns/day 0.348 hours/ns 3.987 steps/s 2024-05-07 20:17:50,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28800 5760 60.434 -32510 6623.7 -39134 -39134 -0.00022858 -0.00049527 -0.00020954 49583 2024-05-07 20:18:07,091 INFO [main.py:798]
{rank 0/64} MD step = 28900 step time: 00:00:00.155023 Performance: 68.773 ns/day 0.349 hours/ns 3.980 steps/s 2024-05-07 20:18:18,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28900 5780 59.722 -32648 6545.6 -39193 -39193 -0.00038097 -0.0006667 1.9049e-05 49789 2024-05-07 20:18:34,506 INFO [main.py:798]
{rank 0/64} MD step = 29000 step time: 00:00:00.153257 Performance: 68.752 ns/day 0.349 hours/ns 3.979 steps/s 2024-05-07 20:18:57,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29000 5800 60.297 -32510 6608.6 -39118 -39118 -0.00041907 -0.00045717 -0.00049527 49954 2024-05-07 20:19:13,449 INFO [main.py:798]
{rank 0/64} MD step = 29100 step time: 00:00:00.143216 Performance: 68.622 ns/day 0.350 hours/ns 3.971 steps/s 2024-05-07 20:19:21,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29100 5820 60.426 -32605 6622.8 -39228 -39228 -0.00026668 -0.00057146 -0.00055241 50119 2024-05-07 20:19:37,687 INFO [main.py:798]
{rank 0/64} MD step = 29200 step time: 00:00:00.144264 Performance: 68.631 ns/day 0.350 hours/ns 3.972 steps/s 2024-05-07 20:19:44,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29200 5840 60.331 -32516 6612.3 -39128 -39128 -0.00023811 -0.00060956 0 50323 2024-05-07 20:20:03,358 INFO [main.py:798]
{rank 0/64} MD step = 29300 step time: 00:00:00.147320 Performance: 68.627 ns/day 0.350 hours/ns 3.971 steps/s 2024-05-07 20:20:21,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29300 5860 59.413 -32673 6511.7 -39185 -39185 0.00018096 -0.00058575 -0.00046193 50481 2024-05-07 20:20:36,548 INFO [main.py:798]
{rank 0/64} MD step = 29400 step time: 00:00:00.164316 Performance: 68.552 ns/day 0.350 hours/ns 3.967 steps/s 2024-05-07 20:20:45,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29400 5880 60.254 -32594 6603.9 -39198 -39198 -0.0003143 -0.00032383 -0.00044764 50646 2024-05-07 20:21:11,640 INFO [main.py:798]
{rank 0/64} MD step = 29500 step time: 00:00:00.140804 Performance: 68.461 ns/day 0.351 hours/ns 3.962 steps/s 2024-05-07 20:21:25,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29500 5900 59.603 -32627 6532.6 -39159 -39159 -0.00047146 -0.00049527 -0.00020954 50804 2024-05-07 20:21:41,542 INFO [main.py:798]
{rank 0/64} MD step = 29600 step time: 00:00:00.136885 Performance: 68.419 ns/day 0.351 hours/ns 3.959 steps/s 2024-05-07 20:22:01,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29600 5920 59.379 -32460 6508 -38968 -38968 -0.00024763 -0.00037145 -0.00057146 50993 2024-05-07 20:22:18,607 INFO [main.py:798]
{rank 0/64} MD step = 29700 step time: 00:00:00.148686 Performance: 68.311 ns/day 0.351 hours/ns 3.953 steps/s 2024-05-07 20:22:30,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29700 5940 59.554 -32553 6527.2 -39080 -39080 -0.00034288 -0.00040955 -5.7146e-05 51143 2024-05-07 20:22:46,521 INFO [main.py:798]
{rank 0/64} MD step = 29800 step time: 00:00:00.156849 Performance: 68.287 ns/day 0.351 hours/ns 3.952 steps/s 2024-05-07 20:22:55,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29800 5960 60.874 -32519 6671.9 -39191 -39191 -0.00038097 -0.00054289 1.9049e-05 51314 2024-05-07 20:23:11,345 INFO [main.py:798]
{rank 0/64} MD step = 29900 step time: 00:00:00.159543 Performance: 68.292 ns/day 0.351 hours/ns 3.952 steps/s 2024-05-07 20:23:20,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29900 5980 60.031 -32696 6579.5 -39276 -39276 -0.00030478 -0.00065718 -0.00038097 51473 2024-05-07 20:23:35,783 INFO [main.py:798]
{rank 0/64} MD step = 30000 step time: 00:00:00.151903 Performance: 68.300 ns/day 0.351 hours/ns 3.953 steps/s 2024-05-07 20:23:52,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30000 6000 59.321 -32568 6501.6 -39070 -39070 -0.00038097 -0.00026668 -0.00020001 51649 2024-05-07 20:24:07,852 INFO [main.py:798]
{rank 0/64} MD step = 30100 step time: 00:00:00.146826 Performance: 68.239 ns/day 0.352 hours/ns 3.949 steps/s 2024-05-07 20:24:13,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30100 6020 60.787 -32539 6662.3 -39202 -39202 -0.00034288 -0.00038097 -0.00060956 51804 2024-05-07 20:24:30,998 INFO [main.py:798]
{rank 0/64} MD step = 30200 step time: 00:00:00.132334 Performance: 68.258 ns/day 0.352 hours/ns 3.950 steps/s 2024-05-07 20:24:42,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30200 6040 60.226 -32527 6600.8 -39128 -39128 -0.0003905 -0.00030478 -0.00068575 52016 2024-05-07 20:24:58,461 INFO [main.py:798]
{rank 0/64} MD step = 30300 step time: 00:00:00.170629 Performance: 68.239 ns/day 0.352 hours/ns 3.949 steps/s 2024-05-07 20:25:03,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30300 6060 59.657 -32662 6538.4 -39201 -39201 -0.00032383 2.8573e-05 -1.9049e-05 52171 2024-05-07 20:25:20,816 INFO [main.py:798]
{rank 0/64} MD step = 30400 step time: 00:00:00.164231 Performance: 68.266 ns/day 0.352 hours/ns 3.951 steps/s 2024-05-07 20:25:30,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30400 6080 59.156 -32686 6483.6 -39170 -39170 -0.00045241 -0.00064766 -0.00015239 52370 2024-05-07 20:25:46,709 INFO [main.py:798]
{rank 0/64} MD step = 30500 step time: 00:00:00.155017 Performance: 68.260 ns/day 0.352 hours/ns 3.950 steps/s 2024-05-07 20:25:56,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30500 6100 61.179 -32527 6705.3 -39232 -39232 -0.00020954 8.5719e-05 -0.00026668 52558 2024-05-07 20:26:11,878 INFO [main.py:798]
{rank 0/64} MD step = 30600 step time: 00:00:00.135430 Performance: 68.262 ns/day 0.352 hours/ns 3.950 steps/s 2024-05-07 20:26:33,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30600 6120 59.819 -32540 6556.2 -39097 -39097 -0.00038097 -0.00057146 -0.00068575 52754 2024-05-07 20:26:48,028 INFO [main.py:798]
{rank 0/64} MD step = 30700 step time: 00:00:00.157923 Performance: 68.167 ns/day 0.352 hours/ns 3.945 steps/s 2024-05-07 20:27:03,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30700 6140 60.55 -32573 6636.3 -39209 -39209 -0.0003905 -0.00057146 -0.00057146 52926 2024-05-07 20:27:20,440 INFO [main.py:798]
{rank 0/64} MD step = 30800 step time: 00:00:00.162997 Performance: 68.105 ns/day 0.352 hours/ns 3.941 steps/s 2024-05-07 20:27:26,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30800 6160 60.506 -32528 6631.6 -39160 -39160 -0.00030478 -0.00036193 -9.5243e-06 53115 2024-05-07 20:27:42,231 INFO [main.py:798]
{rank 0/64} MD step = 30900 step time: 00:00:00.160701 Performance: 68.136 ns/day 0.352 hours/ns 3.943 steps/s 2024-05-07 20:27:52,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30900 6180 60.554 -32470 6636.8 -39107 -39107 -0.00049527 -0.00040478 9.5243e-05 53305 2024-05-07 20:28:07,787 INFO [main.py:798]
{rank 0/64} MD step = 31000 step time: 00:00:00.157557 Performance: 68.134 ns/day 0.352 hours/ns 3.943 steps/s 2024-05-07 20:28:16,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31000 6200 60.212 -32579 6599.3 -39178 -39178 -0.00034288 -0.00057146 -0.00044764 53451 2024-05-07 20:28:32,814 INFO [main.py:798]
{rank 0/64} MD step = 31100 step time: 00:00:00.161488 Performance: 68.137 ns/day 0.352 hours/ns 3.943 steps/s 2024-05-07 20:28:40,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31100 6220 59.798 -32544 6554 -39098 -39098 -2.3811e-05 -0.00050003 9.5243e-05 53636 2024-05-07 20:28:56,503 INFO [main.py:798]
{rank 0/64} MD step = 31200 step time: 00:00:00.166934 Performance: 68.152 ns/day 0.352 hours/ns 3.944 steps/s 2024-05-07 20:29:03,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31200 6240 59.549 -32725 6526.6 -39252 -39252 -0.00045717 -0.00060956 -0.00061908 53798 2024-05-07 20:29:18,865 INFO [main.py:798]
{rank 0/64} MD step = 31300 step time: 00:00:00.159919 Performance: 68.177 ns/day 0.352 hours/ns 3.945 steps/s 2024-05-07 20:29:25,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31300 6260 59.714 -32557 6544.8 -39102 -39102 -0.00024763 -0.00054289 -5.7146e-05 54019 2024-05-07 20:29:40,200 INFO [main.py:798]
{rank 0/64} MD step = 31400 step time: 00:00:00.159815 Performance: 68.212 ns/day 0.352 hours/ns 3.947 steps/s 2024-05-07 20:29:45,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31400 6280 60.261 -32625 6604.7 -39229 -39229 6.667e-05 -0.00049527 -0.0007048 54188 2024-05-07 20:30:02,195 INFO [main.py:798]
{rank 0/64} MD step = 31500 step time: 00:00:00.153908 Performance: 68.240 ns/day 0.352 hours/ns 3.949 steps/s 2024-05-07 20:30:08,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31500 6300 59.447 -32624 6515.5 -39140 -39140 -0.00011429 -0.00048574 3.8097e-05 54338 2024-05-07 20:30:23,605 INFO [main.py:798]
{rank 0/64} MD step = 31600 step time: 00:00:00.132469 Performance: 68.274 ns/day 0.352 hours/ns 3.951 steps/s 2024-05-07 20:30:42,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31600 6320 60.321 -32580 6611.2 -39191 -39191 -0.00020001 -0.00045717 -0.00022858 54516 2024-05-07 20:30:58,124 INFO [main.py:798]
{rank 0/64} MD step = 31700 step time: 00:00:00.146457 Performance: 68.196 ns/day 0.352 hours/ns 3.946 steps/s 2024-05-07 20:31:19,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31700 6340 60.436 -32411 6623.8 -39035 -39035 -0.00030478 -0.00028573 -0.00048574 54697 2024-05-07 20:31:34,965 INFO [main.py:798]
{rank 0/64} MD step = 31800 step time: 00:00:00.141585 Performance: 68.098 ns/day 0.352 hours/ns 3.941 steps/s 2024-05-07 20:31:40,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31800 6360 59.491 -32572 6520.3 -39092 -39092 -0.00045717 -0.00059051 -0.00049527 54887 2024-05-07 20:31:57,708 INFO [main.py:798]
{rank 0/64} MD step = 31900 step time: 00:00:00.156532 Performance: 68.120 ns/day 0.352 hours/ns 3.942 steps/s 2024-05-07 20:32:03,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31900 6380 60.696 -32530 6652.4 -39182 -39182 -0.00034288 -0.00048098 0 55044 2024-05-07 20:32:19,553 INFO [main.py:798]
{rank 0/64} MD step = 32000 step time: 00:00:00.155715 Performance: 68.150 ns/day 0.352 hours/ns 3.944 steps/s 2024-05-07 20:32:26,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32000 6400 59.496 -32732 6520.9 -39252 -39252 -0.00041907 -0.00040955 -0.00057146 55200 2024-05-07 20:32:42,132 INFO [main.py:798]
{rank 0/64} MD step = 32100 step time: 00:00:00.154199 Performance: 68.173 ns/day 0.352 hours/ns 3.945 steps/s 2024-05-07 20:32:49,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32100 6420 59.706 -32612 6543.9 -39156 -39156 -0.00028573 -0.00041907 -0.00018096 55413 2024-05-07 20:33:05,642 INFO [main.py:798]
{rank 0/64} MD step = 32200 step time: 00:00:00.173040 Performance: 68.189 ns/day 0.352 hours/ns 3.946 steps/s 2024-05-07 20:33:12,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32200 6440 60.741 -32422 6657.3 -39079 -39079 -0.00036669 -0.00046669 -0.00076195 55596 2024-05-07 20:33:28,689 INFO [main.py:798]
{rank 0/64} MD step = 32300 step time: 00:00:00.151901 Performance: 68.208 ns/day 0.352 hours/ns 3.947 steps/s 2024-05-07 20:33:35,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32300 6460 59.723 -32693 6545.7 -39238 -39238 -0.00048574 -0.00059051 -0.00017144 55706 2024-05-07 20:33:51,005 INFO [main.py:798]
{rank 0/64} MD step = 32400 step time: 00:00:00.153502 Performance: 68.233 ns/day 0.352 hours/ns 3.949 steps/s 2024-05-07 20:33:58,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32400 6480 60.138 -32570 6591.2 -39161 -39161 -0.00032383 -0.00049527 -0.00064766 55883 2024-05-07 20:34:14,168 INFO [main.py:798]
{rank 0/64} MD step = 32500 step time: 00:00:00.149823 Performance: 68.251 ns/day 0.352 hours/ns 3.950 steps/s 2024-05-07 20:34:21,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32500 6500 59.564 -32671 6528.3 -39199 -39199 -0.00028573 -0.00045717 -0.00024763 56060 2024-05-07 20:34:37,343 INFO [main.py:798]
{rank 0/64} MD step = 32600 step time: 00:00:00.162856 Performance: 68.268 ns/day 0.352 hours/ns 3.951 steps/s 2024-05-07 20:34:43,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32600 6520 60.373 -32599 6617 -39215 -39215 -0.00034288 -0.0003143 0.00013572 56211 2024-05-07 20:34:59,411 INFO [main.py:798]
{rank 0/64} MD step = 32700 step time: 00:00:00.158636 Performance: 68.295 ns/day 0.351 hours/ns 3.952 steps/s 2024-05-07 20:35:14,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32700 6540 59.946 -32522 6570.2 -39093 -39093 -0.00024763 -0.00013334 -0.00015239 56420 2024-05-07 20:35:30,782 INFO [main.py:798]
{rank 0/64} MD step = 32800 step time: 00:00:00.168765 Performance: 68.245 ns/day 0.352 hours/ns 3.949 steps/s 2024-05-07 20:35:47,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32800 6560 60.076 -32554 6584.4 -39139 -39139 -0.00026668 -0.00049527 -0.00013334 56575 2024-05-07 20:36:02,656 INFO [main.py:798]
{rank 0/64} MD step = 32900 step time: 00:00:00.157980 Performance: 68.192 ns/day 0.352 hours/ns 3.946 steps/s 2024-05-07 20:36:11,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32900 6580 59.736 -32498 6547.2 -39045 -39045 -0.00041907 -1.9049e-05 -0.00010953 56767 2024-05-07 20:36:28,181 INFO [main.py:798]
{rank 0/64} MD step = 33000 step time: 00:00:00.162637 Performance: 68.190 ns/day 0.352 hours/ns 3.946 steps/s 2024-05-07 20:36:32,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33000 6600 60.861 -32485 6670.4 -39156 -39156 -0.00014287 -0.00040002 -0.00038574 56912 2024-05-07 20:36:48,791 INFO [main.py:798]
{rank 0/64} MD step = 33100 step time: 00:00:00.154957 Performance: 68.229 ns/day 0.352 hours/ns 3.948 steps/s 2024-05-07 20:36:54,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33100 6620 59.642 -32551 6536.8 -39088 -39088 -0.00038097 -0.0004286 -0.00021906 57069 2024-05-07 20:37:10,938 INFO [main.py:798]
{rank 0/64} MD step = 33200 step time: 00:00:00.156236 Performance: 68.254 ns/day 0.352 hours/ns 3.950 steps/s 2024-05-07 20:37:17,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33200 6640 59.938 -32630 6569.3 -39199 -39199 -5.7146e-05 -0.00050479 -5.7146e-05 57254 2024-05-07 20:37:33,215 INFO [main.py:798]
{rank 0/64} MD step = 33300 step time: 00:00:00.163364 Performance: 68.279 ns/day 0.351 hours/ns 3.951 steps/s 2024-05-07 20:37:38,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33300 6660 59.293 -32544 6498.6 -39043 -39043 -0.00026668 -0.00059051 -0.00076195 57452 2024-05-07 20:37:53,784 INFO [main.py:798]
{rank 0/64} MD step = 33400 step time: 00:00:00.162316 Performance: 68.317 ns/day 0.351 hours/ns 3.954 steps/s 2024-05-07 20:38:02,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33400 6680 60.44 -32658 6624.4 -39283 -39283 -0.00026668 -0.00049527 -0.000781 57535 2024-05-07 20:38:18,686 INFO [main.py:798]
{rank 0/64} MD step = 33500 step time: 00:00:00.156946 Performance: 68.321 ns/day 0.351 hours/ns 3.954 steps/s 2024-05-07 20:38:33,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33500 6700 59.409 -32544 6511.3 -39056 -39056 -0.00032859 -0.00040002 -0.00067623 57719 2024-05-07 20:38:52,240 INFO [main.py:798]
{rank 0/64} MD step = 33600 step time: 00:00:00.164923 Performance: 68.254 ns/day 0.352 hours/ns 3.950 steps/s 2024-05-07 20:38:56,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33600 6720 60.491 -32372 6629.8 -39002 -39002 -0.00026668 -0.00057146 -0.00059051 57890 2024-05-07 20:39:13,294 INFO [main.py:798]
{rank 0/64} MD step = 33700 step time: 00:00:00.161316 Performance: 68.288 ns/day 0.351 hours/ns 3.952 steps/s 2024-05-07 20:39:19,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33700 6740 59.299 -32598 6499.2 -39097 -39097 -0.00041907 -0.00050479 -0.00038097 58073 2024-05-07 20:39:35,205 INFO [main.py:798]
{rank 0/64} MD step = 33800 step time: 00:00:00.161696 Performance: 68.315 ns/day 0.351 hours/ns 3.953 steps/s 2024-05-07 20:39:53,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33800 6760 59.423 -32561 6512.8 -39074 -39074 -0.00044764 9.5243e-06 -8.5719e-05 58273 2024-05-07 20:40:09,596 INFO [main.py:798]
{rank 0/64} MD step = 33900 step time: 00:00:00.165082 Performance: 68.243 ns/day 0.352 hours/ns 3.949 steps/s 2024-05-07 20:40:22,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33900 6780 60.626 -32535 6644.7 -39180 -39180 -0.00034288 -0.00047622 -0.00019049 58438 2024-05-07 20:40:39,943 INFO [main.py:798]
{rank 0/64} MD step = 34000 step time: 00:00:00.169153 Performance: 68.203 ns/day 0.352 hours/ns 3.947 steps/s 2024-05-07 20:40:46,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34000 6800 59.773 -32576 6551.2 -39127 -39127 0.00026668 -0.00049527 0.00012382 58654 2024-05-07 20:41:01,893 INFO [main.py:798]
{rank 0/64} MD step = 34100 step time: 00:00:00.167820 Performance: 68.230 ns/day 0.352 hours/ns 3.948 steps/s 2024-05-07 20:41:07,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34100 6820 59.882 -32569 6563.2 -39132 -39132 -6.667e-05 -0.00051431 -0.00045717 58851 2024-05-07 20:41:23,161 INFO [main.py:798]
{rank 0/64} MD step = 34200 step time: 00:00:00.162732 Performance: 68.262 ns/day 0.352 hours/ns 3.950 steps/s 2024-05-07 20:41:29,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34200 6840 59.742 -32585 6547.8 -39133 -39133 -0.00033335 -0.00052384 -0.00047622 59020 2024-05-07 20:41:45,522 INFO [main.py:798]
{rank 0/64} MD step = 34300 step time: 00:00:00.194773 Performance: 68.285 ns/day 0.351 hours/ns 3.952 steps/s 2024-05-07 20:41:51,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34300 6860 59.602 -32540 6532.4 -39073 -39073 -0.00040002 -0.0003524 -6.667e-05 59207 2024-05-07 20:42:07,282 INFO [main.py:798]
{rank 0/64} MD step = 34400 step time: 00:00:00.157940 Performance: 68.313 ns/day 0.351 hours/ns 3.953 steps/s 2024-05-07 20:42:14,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34400 6880 61.25 -32400 6713.1 -39113 -39113 0.00015239 0.00017144 1.9049e-05 59392 2024-05-07 20:42:29,957 INFO [main.py:798]
{rank 0/64} MD step = 34500 step time: 00:00:00.157577 Performance: 68.334 ns/day 0.351 hours/ns 3.954 steps/s 2024-05-07 20:42:34,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34500 6900 59.653 -32624 6538 -39162 -39162 -0.00019049 7.6195e-05 -0.0004905 59532 2024-05-07 20:42:52,402 INFO [main.py:798]
{rank 0/64} MD step = 34600 step time: 00:00:00.160317 Performance: 68.356 ns/day 0.351 hours/ns 3.956 steps/s 2024-05-07 20:43:03,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34600 6920 59.275 -32698 6496.6 -39194 -39194 -0.00041669 -0.00057146 -0.00034288 59692 2024-05-07 20:43:18,221 INFO [main.py:798]
{rank 0/64} MD step = 34700 step time: 00:00:00.151713 Performance: 68.352 ns/day 0.351 hours/ns 3.956 steps/s 2024-05-07 20:43:24,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34700 6940 60.369 -32423 6616.5 -39039 -39039 -0.00030478 7.6195e-05 -0.00046669 59901 2024-05-07 20:43:39,707 INFO [main.py:798]
{rank 0/64} MD step = 34800 step time: 00:00:00.148084 Performance: 68.381 ns/day 0.351 hours/ns 3.957 steps/s 2024-05-07 20:43:51,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34800 6960 60.334 -32473 6612.7 -39086 -39086 -0.00029049 -0.00055241 -0.00011905 60072 2024-05-07 20:44:06,901 INFO [main.py:798]
{rank 0/64} MD step = 34900 step time: 00:00:00.157310 Performance: 68.366 ns/day 0.351 hours/ns 3.956 steps/s 2024-05-07 20:44:30,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34900 6980 60.793 -32461 6662.9 -39124 -39124 -0.00022858 0.00015239 -0.00076195 60223 2024-05-07 20:44:44,922 INFO [main.py:798]
{rank 0/64} MD step = 35000 step time: 00:00:00.142482 Performance: 68.268 ns/day 0.352 hours/ns 3.951 steps/s 2024-05-07 20:45:22,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35000 7000 59.869 -32688 6561.8 -39249 -39249 -0.00013334 -0.00043812 -0.00064766 60433 2024-05-07 20:45:38,105 INFO [main.py:798]
{rank 0/64} MD step = 35100 step time: 00:00:00.158043 Performance: 68.054 ns/day 0.353 hours/ns 3.938 steps/s 2024-05-07 20:45:43,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35100 7020 59.997 -32471 6575.8 -39046 -39046 -0.00060003 -0.00049527 -0.00064766 60619 2024-05-07 20:46:02,317 INFO [main.py:798]
{rank 0/64} MD step = 35200 step time: 00:00:00.150670 Performance: 68.063 ns/day 0.353 hours/ns 3.939 steps/s 2024-05-07 20:46:07,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35200 7040 60.019 -32522 6578.2 -39100 -39100 -0.00014287 -0.00034288 -8.5719e-05 60797 2024-05-07 20:46:23,821 INFO [main.py:798]
{rank 0/64} MD step = 35300 step time: 00:00:00.154118 Performance: 68.093 ns/day 0.352 hours/ns 3.941 steps/s 2024-05-07 20:46:28,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35300 7060 59.34 -32741 6503.8 -39244 -39244 -0.00030478 -0.0004024 -0.00013334 60944 2024-05-07 20:46:45,829 INFO [main.py:798]
{rank 0/64} MD step = 35400 step time: 00:00:00.155311 Performance: 68.118 ns/day 0.352 hours/ns 3.942 steps/s 2024-05-07 20:46:53,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35400 7080 61.371 -32284 6726.4 -39010 -39010 -0.00053336 -0.00053336 -0.00022858 61165 2024-05-07 20:47:09,915 INFO [main.py:798]
{rank 0/64} MD step = 35500 step time: 00:00:00.156400 Performance: 68.128 ns/day 0.352 hours/ns 3.943 steps/s 2024-05-07 20:47:18,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35500 7100 60.57 -32673 6638.6 -39311 -39311 -0.00011429 -0.00043812 3.8097e-05 61283 2024-05-07 20:47:34,708 INFO [main.py:798]
{rank 0/64} MD step = 35600 step time: 00:00:00.159600 Performance: 68.132 ns/day 0.352 hours/ns 3.943 steps/s 2024-05-07 20:47:46,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35600 7120 59.703 -32570 6543.6 -39113 -39113 -0.00036193 -0.00057146 -0.00044764 61470 2024-05-07 20:48:02,680 INFO [main.py:798]
{rank 0/64} MD step = 35700 step time: 00:00:00.145992 Performance: 68.113 ns/day 0.352 hours/ns 3.942 steps/s 2024-05-07 20:48:14,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35700 7140 59.089 -32731 6476.3 -39207 -39207 -0.00019049 -0.00047622 -0.00011429 61618 2024-05-07 20:48:30,728 INFO [main.py:798]
{rank 0/64} MD step = 35800 step time: 00:00:00.158707 Performance: 68.093 ns/day 0.352 hours/ns 3.941 steps/s 2024-05-07 20:48:41,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35800 7160 59.512 -32725 6522.6 -39247 -39247 -0.00030478 -0.00020001 -0.00080005 61778 2024-05-07 20:48:57,867 INFO [main.py:798]
{rank 0/64} MD step = 35900 step time: 00:00:00.135820 Performance: 68.079 ns/day 0.353 hours/ns 3.940 steps/s 2024-05-07 20:49:19,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35900 7180 60.457 -32564 6626.2 -39190 -39190 0.00020954 -0.00055241 3.8097e-05 61954 2024-05-07 20:49:35,440 INFO [main.py:798]
{rank 0/64} MD step = 36000 step time: 00:00:00.175726 Performance: 67.989 ns/day 0.353 hours/ns 3.935 steps/s 2024-05-07 20:49:56,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36000 7200 60.419 -32414 6622 -39036 -39036 -0.00030478 7.6195e-05 -0.00053336 62132 2024-05-07 20:50:12,762 INFO [main.py:798]
{rank 0/64} MD step = 36100 step time: 00:00:00.161969 Performance: 67.901 ns/day 0.353 hours/ns 3.929 steps/s 2024-05-07 20:50:18,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36100 7220 60.891 -32454 6673.8 -39127 -39127 -0.00027144 -0.00037145 -0.00072385 62269 2024-05-07 20:50:35,212 INFO [main.py:798]
{rank 0/64} MD step = 36200 step time: 00:00:00.167253 Performance: 67.923 ns/day 0.353 hours/ns 3.931 steps/s 2024-05-07 20:50:41,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36200 7240 60.399 -32509 6619.8 -39128 -39128 -0.00033335 -0.00051431 -0.0006667 62436 2024-05-07 20:50:57,532 INFO [main.py:798]
{rank 0/64} MD step = 36300 step time: 00:00:00.165274 Performance: 67.946 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 20:51:03,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36300 7260 60.356 -32619 6615.1 -39235 -39235 -0.00036193 -0.00071909 -0.00053336 62602 2024-05-07 20:51:20,750 INFO [main.py:798]
{rank 0/64} MD step = 36400 step time: 00:00:00.155899 Performance: 67.962 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 20:51:26,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36400 7280 59.687 -32565 6541.8 -39107 -39107 -0.00030478 -0.00049527 -0.00070004 62815 2024-05-07 20:51:42,285 INFO [main.py:798]
{rank 0/64} MD step = 36500 step time: 00:00:00.163426 Performance: 67.990 ns/day 0.353 hours/ns 3.935 steps/s 2024-05-07 20:51:49,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36500 7300 60.212 -32551 6599.3 -39150 -39150 -0.00043812 -0.00024763 -0.00038097 62987 2024-05-07 20:52:05,469 INFO [main.py:798]
{rank 0/64} MD step = 36600 step time: 00:00:00.170889 Performance: 68.007 ns/day 0.353 hours/ns 3.936 steps/s 2024-05-07 20:52:11,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36600 7320 61.076 -32472 6694 -39166 -39166 0.00017144 -0.00041907 -0.00038097 63158 2024-05-07 20:52:27,124 INFO [main.py:798]
{rank 0/64} MD step = 36700 step time: 00:00:00.158049 Performance: 68.034 ns/day 0.353 hours/ns 3.937 steps/s 2024-05-07 20:52:32,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36700 7340 60.054 -32416 6582 -38998 -38998 -0.00045717 -0.00038097 -0.0006667 63373 2024-05-07 20:52:48,339 INFO [main.py:798]
{rank 0/64} MD step = 36800 step time: 00:00:00.142890 Performance: 68.065 ns/day 0.353 hours/ns 3.939 steps/s 2024-05-07 20:52:54,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36800 7360 60.269 -32523 6605.6 -39128 -39128 -0.00022858 -0.00044764 -0.00037621 63503 2024-05-07 20:53:10,392 INFO [main.py:798]
{rank 0/64} MD step = 36900 step time: 00:00:00.136317 Performance: 68.089 ns/day 0.352 hours/ns 3.940 steps/s 2024-05-07 20:53:17,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36900 7380 59.234 -32583 6492.1 -39075 -39075 -0.00041907 -0.00034288 -0.00013334 63680 2024-05-07 20:53:33,552 INFO [main.py:798]
{rank 0/64} MD step = 37000 step time: 00:00:00.148965 Performance: 68.105 ns/day 0.352 hours/ns 3.941 steps/s 2024-05-07 20:53:51,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37000 7400 58.648 -32625 6427.9 -39053 -39053 -0.00022858 -0.00057622 -0.00046669 63874 2024-05-07 20:54:07,540 INFO [main.py:798]
{rank 0/64} MD step = 37100 step time: 00:00:00.166896 Performance: 68.043 ns/day 0.353 hours/ns 3.938 steps/s 2024-05-07 20:54:28,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37100 7420 60.549 -32357 6636.3 -38993 -38993 -0.00041907 -8.5719e-05 -0.00030478 64072 2024-05-07 20:54:44,095 INFO [main.py:798]
{rank 0/64} MD step = 37200 step time: 00:00:00.170847 Performance: 67.962 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 20:54:50,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37200 7440 60.216 -32529 6599.8 -39129 -39129 -0.00040002 -0.00026192 -0.00017144 64228 2024-05-07 20:55:05,741 INFO [main.py:798]
{rank 0/64} MD step = 37300 step time: 00:00:00.163942 Performance: 67.990 ns/day 0.353 hours/ns 3.935 steps/s 2024-05-07 20:55:11,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37300 7460 60.223 -32490 6600.5 -39091 -39091 -0.00026668 -0.00028573 0.00011429 64389 2024-05-07 20:55:27,383 INFO [main.py:798]
{rank 0/64} MD step = 37400 step time: 00:00:00.153130 Performance: 68.017 ns/day 0.353 hours/ns 3.936 steps/s 2024-05-07 20:55:34,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37400 7480 59.317 -32533 6501.2 -39035 -39035 -0.00020001 -0.00076195 -2.8573e-05 64587 2024-05-07 20:55:50,193 INFO [main.py:798]
{rank 0/64} MD step = 37500 step time: 00:00:00.163924 Performance: 68.035 ns/day 0.353 hours/ns 3.937 steps/s 2024-05-07 20:55:56,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37500 7500 59.462 -32656 6517.1 -39173 -39173 -0.00019049 -0.00062861 -0.00013334 64729 2024-05-07 20:56:12,169 INFO [main.py:798]
{rank 0/64} MD step = 37600 step time: 00:00:00.167972 Performance: 68.059 ns/day 0.353 hours/ns 3.939 steps/s 2024-05-07 20:56:18,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37600 7520 60.572 -32494 6638.8 -39133 -39133 -0.00033335 -0.00043812 -0.00011429 64897 2024-05-07 20:56:33,673 INFO [main.py:798]
{rank 0/64} MD step = 37700 step time: 00:00:00.166355 Performance: 68.087 ns/day 0.352 hours/ns 3.940 steps/s 2024-05-07 20:56:40,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37700 7540 60.997 -32443 6685.3 -39128 -39128 -0.00034288 -0.00041907 -0.00053813 65084 2024-05-07 20:56:55,523 INFO [main.py:798]
{rank 0/64} MD step = 37800 step time: 00:00:00.189048 Performance: 68.112 ns/day 0.352 hours/ns 3.942 steps/s 2024-05-07 20:57:02,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37800 7560 59.896 -32610 6564.7 -39174 -39174 -0.0003143 -0.00039526 -0.00077147 65290 2024-05-07 20:57:18,673 INFO [main.py:798]
{rank 0/64} MD step = 37900 step time: 00:00:00.158427 Performance: 68.128 ns/day 0.352 hours/ns 3.943 steps/s 2024-05-07 20:57:25,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37900 7580 60.14 -32569 6591.5 -39161 -39161 -0.00030478 -0.00068575 -0.000781 65443 2024-05-07 20:57:41,430 INFO [main.py:798]
{rank 0/64} MD step = 38000 step time: 00:00:00.157884 Performance: 68.146 ns/day 0.352 hours/ns 3.944 steps/s 2024-05-07 20:57:50,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38000 7600 60.08 -32636 6584.9 -39221 -39221 -0.00041907 -0.00065718 -0.00058575 65622 2024-05-07 20:58:06,083 INFO [main.py:798]
{rank 0/64} MD step = 38100 step time: 00:00:00.154286 Performance: 68.151 ns/day 0.352 hours/ns 3.944 steps/s 2024-05-07 20:58:26,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38100 7620 60.501 -32642 6631 -39273 -39273 -0.00041907 -0.00041907 -0.00060003 65816 2024-05-07 20:58:43,577 INFO [main.py:798]
{rank 0/64} MD step = 38200 step time: 00:00:00.155324 Performance: 68.066 ns/day 0.353 hours/ns 3.939 steps/s 2024-05-07 20:59:05,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38200 7640 59.432 -32554 6513.8 -39068 -39068 -0.0003905 -0.00047622 -0.00072385 65999 2024-05-07 20:59:21,222 INFO [main.py:798]
{rank 0/64} MD step = 38300 step time: 00:00:00.150155 Performance: 67.980 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-07 20:59:30,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38300 7660 60.417 -32527 6621.8 -39148 -39148 -0.00045717 -0.00041907 3.3335e-05 66188 2024-05-07 20:59:46,509 INFO [main.py:798]
{rank 0/64} MD step = 38400 step time: 00:00:00.154191 Performance: 67.981 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-07 20:59:52,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38400 7680 59.829 -32495 6557.3 -39053 -39053 -0.00030478 -0.00041907 -0.00040955 66388 2024-05-07 21:00:10,737 INFO [main.py:798]
{rank 0/64} MD step = 38500 step time: 00:00:00.158108 Performance: 67.989 ns/day 0.353 hours/ns 3.935 steps/s 2024-05-07 21:00:19,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38500 7700 59.648 -32421 6537.5 -38959 -38959 -0.00038097 -0.00053336 -0.00013334 66598 2024-05-07 21:00:34,692 INFO [main.py:798]
{rank 0/64} MD step = 38600 step time: 00:00:00.158078 Performance: 68.000 ns/day 0.353 hours/ns 3.935 steps/s 2024-05-07 21:00:41,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38600 7720 59.804 -32459 6554.6 -39014 -39014 0.00017144 -0.00038097 -0.00053813 66719 2024-05-07 21:00:57,063 INFO [main.py:798]
{rank 0/64} MD step = 38700 step time: 00:00:00.152197 Performance: 68.021 ns/day 0.353 hours/ns 3.936 steps/s 2024-05-07 21:01:04,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38700 7740 59.133 -32665 6481.1 -39146 -39146 -0.00030954 -0.00037621 -0.00076195 66887 2024-05-07 21:01:21,090 INFO [main.py:798]
{rank 0/64} MD step = 38800 step time: 00:00:00.164156 Performance: 68.030 ns/day 0.353 hours/ns 3.937 steps/s 2024-05-07 21:01:29,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38800 7760 60.774 -32458 6660.9 -39119 -39119 -0.00020001 -0.00049527 -8.5719e-05 67060 2024-05-07 21:01:44,596 INFO [main.py:798]
{rank 0/64} MD step = 38900 step time: 00:00:00.159906 Performance: 68.043 ns/day 0.353 hours/ns 3.938 steps/s 2024-05-07 21:01:57,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38900 7780 59.826 -32593 6557.1 -39150 -39150 -0.00028573 -0.00044764 -0.00049527 67239 2024-05-07 21:02:13,273 INFO [main.py:798]
{rank 0/64} MD step = 39000 step time: 00:00:00.165302 Performance: 68.021 ns/day 0.353 hours/ns 3.936 steps/s 2024-05-07 21:02:21,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39000 7800 60.617 -32580 6643.6 -39224 -39224 -0.00020954 -0.00060956 -0.00026668 67413 2024-05-07 21:02:37,037 INFO [main.py:798]
{rank 0/64} MD step = 39100 step time: 00:00:00.166805 Performance: 68.032 ns/day 0.353 hours/ns 3.937 steps/s 2024-05-07 21:02:54,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39100 7820 59.646 -32485 6537.2 -39023 -39023 -0.00055241 -0.00051431 -0.00026668 67646 2024-05-07 21:03:10,622 INFO [main.py:798]
{rank 0/64} MD step = 39200 step time: 00:00:00.153449 Performance: 67.976 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-07 21:03:24,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39200 7840 59.909 -32616 6566.1 -39182 -39182 -0.00040002 -0.0006667 0 67801 2024-05-07 21:03:41,488 INFO [main.py:798]
{rank 0/64} MD step = 39300 step time: 00:00:00.156566 Performance: 67.939 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 21:03:47,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39300 7860 60.625 -32466 6644.6 -39110 -39110 0.00023811 -0.00051431 -0.00026668 68008 2024-05-07 21:04:03,648 INFO [main.py:798]
{rank 0/64} MD step = 39400 step time: 00:00:00.144238 Performance: 67.961 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 21:04:21,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39400 7880 59.528 -32439 6524.4 -38963 -38963 -0.00024763 -0.00040002 -0.00046193 68186 2024-05-07 21:04:37,870 INFO [main.py:798]
{rank 0/64} MD step = 39500 step time: 00:00:00.169022 Performance: 67.902 ns/day 0.353 hours/ns 3.929 steps/s 2024-05-07 21:04:46,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39500 7900 60.366 -32441 6616.2 -39057 -39057 -0.00051431 -0.00060956 -7.6195e-05 68308 2024-05-07 21:05:00,940 INFO [main.py:798]
{rank 0/64} MD step = 39600 step time: 00:00:00.150869 Performance: 67.918 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 21:05:10,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39600 7920 59.876 -32661 6562.5 -39224 -39224 -0.00030478 -0.00049527 -0.0007048 68463 2024-05-07 21:05:27,017 INFO [main.py:798]
{rank 0/64} MD step = 39700 step time: 00:00:00.163686 Performance: 67.913 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 21:05:32,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39700 7940 60.181 -32613 6595.9 -39209 -39209 -0.00015239 -0.00045717 -0.00045717 68639 2024-05-07 21:05:50,804 INFO [main.py:798]
{rank 0/64} MD step = 39800 step time: 00:00:00.153347 Performance: 67.925 ns/day 0.353 hours/ns 3.931 steps/s 2024-05-07 21:05:57,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39800 7960 61.293 -32424 6717.8 -39141 -39141 -0.00028573 -0.00041907 -0.00017144 68831 2024-05-07 21:06:13,779 INFO [main.py:798]
{rank 0/64} MD step = 39900 step time: 00:00:00.156771 Performance: 67.941 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 21:06:20,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39900 7980 59.725 -32561 6546 -39107 -39107 -0.00018096 -0.00043812 -0.0006667 69014 2024-05-07 21:06:36,666 INFO [main.py:798]
{rank 0/64} MD step = 40000 step time: 00:00:00.151632 Performance: 67.958 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 21:06:43,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40000 8000 60.017 -32576 6577.9 -39154 -39154 -0.00057146 -0.00041907 -0.00058099 69160 2024-05-07 21:07:00,083 INFO [main.py:798]
{rank 0/64} MD step = 40100 step time: 00:00:00.160988 Performance: 67.971 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-07 21:07:15,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40100 8020 61.144 -32462 6701.4 -39163 -39163 -0.00047622 -0.00068575 -5.7146e-05 69340 2024-05-07 21:07:30,451 INFO [main.py:798]
{rank 0/64} MD step = 40200 step time: 00:00:00.161068 Performance: 67.939 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 21:07:48,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40200 8040 59.932 -32672 6568.6 -39240 -39240 -0.00033335 -0.00057146 -0.00036193 69507 2024-05-07 21:08:03,634 INFO [main.py:798]
{rank 0/64} MD step = 40300 step time: 00:00:00.149551 Performance: 67.887 ns/day 0.354 hours/ns 3.929 steps/s 2024-05-07 21:08:20,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40300 8060 59.855 -32605 6560.1 -39165 -39165 -0.00030478 -0.00060956 -0.00049527 69697 2024-05-07 21:08:35,933 INFO [main.py:798]
{rank 0/64} MD step = 40400 step time: 00:00:00.172271 Performance: 67.842 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 21:08:43,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40400 8080 60.04 -32752 6580.5 -39333 -39333 -0.00030478 -0.00048574 -0.00050479 69857 2024-05-07 21:08:59,657 INFO [main.py:798]
{rank 0/64} MD step = 40500 step time: 00:00:00.167452 Performance: 67.854 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:09:10,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40500 8100 60.698 -32519 6652.5 -39171 -39171 -3.8097e-05 -0.00057146 -0.00016191 70071 2024-05-07 21:09:26,565 INFO [main.py:798]
{rank 0/64} MD step = 40600 step time: 00:00:00.156096 Performance: 67.844 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 21:09:33,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40600 8120 60.523 -32440 6633.4 -39074 -39074 -0.00046669 -0.00020954 -0.00055241 70269 2024-05-07 21:09:49,397 INFO [main.py:798]
{rank 0/64} MD step = 40700 step time: 00:00:00.166244 Performance: 67.861 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:09:55,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40700 8140 60.193 -32411 6597.2 -39008 -39008 -7.6195e-05 -0.00068099 -0.00040002 70461 2024-05-07 21:10:10,591 INFO [main.py:798]
{rank 0/64} MD step = 40800 step time: 00:00:00.159175 Performance: 67.889 ns/day 0.354 hours/ns 3.929 steps/s 2024-05-07 21:10:26,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40800 8160 61.128 -32435 6699.7 -39135 -39135 -0.00045717 -0.00023811 -0.00034288 70601 2024-05-07 21:10:42,058 INFO [main.py:798]
{rank 0/64} MD step = 40900 step time: 00:00:00.157324 Performance: 67.850 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:10:49,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40900 8180 60.43 -32493 6623.2 -39116 -39116 -0.00026668 -0.00056194 1.9049e-05 70791 2024-05-07 21:11:05,345 INFO [main.py:798]
{rank 0/64} MD step = 41000 step time: 00:00:00.155760 Performance: 67.864 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:11:11,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41000 8200 60.306 -32555 6609.6 -39164 -39164 -0.00040002 -0.00083814 -0.00053336 70954 2024-05-07 21:11:27,167 INFO [main.py:798]
{rank 0/64} MD step = 41100 step time: 00:00:00.164719 Performance: 67.888 ns/day 0.354 hours/ns 3.929 steps/s 2024-05-07 21:11:34,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41100 8220 59.896 -32719 6564.6 -39284 -39284 -0.00022858 -0.00045717 -0.00032383 71083 2024-05-07 21:11:50,733 INFO [main.py:798]
{rank 0/64} MD step = 41200 step time: 00:00:00.161710 Performance: 67.900 ns/day 0.353 hours/ns 3.929 steps/s 2024-05-07 21:12:05,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41200 8240 60.363 -32521 6615.8 -39137 -39137 -0.00047622 -0.00045717 -0.00030478 71307 2024-05-07 21:12:21,592 INFO [main.py:798]
{rank 0/64} MD step = 41300 step time: 00:00:00.154597 Performance: 67.865 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:12:36,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41300 8260 59.942 -32663 6569.7 -39233 -39233 -0.0007429 -0.00051431 -5.7146e-05 71458 2024-05-07 21:12:50,779 INFO [main.py:798]
{rank 0/64} MD step = 41400 step time: 00:00:00.169428 Performance: 67.841 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 21:12:58,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41400 8280 59.551 -32587 6526.9 -39114 -39114 -0.00019049 -0.0003905 7.6195e-05 71650 2024-05-07 21:13:13,557 INFO [main.py:798]
{rank 0/64} MD step = 41500 step time: 00:00:00.149281 Performance: 67.859 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:13:25,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41500 8300 59.788 -32697 6552.9 -39250 -39250 -0.00014287 -0.00022858 -0.00059051 71765 2024-05-07 21:13:41,443 INFO [main.py:798]
{rank 0/64} MD step = 41600 step time: 00:00:00.154086 Performance: 67.843 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 21:13:48,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41600 8320 60.076 -32515 6584.4 -39099 -39099 -0.00038097 -0.00060956 -0.0005667 71990 2024-05-07 21:14:04,348 INFO [main.py:798]
{rank 0/64} MD step = 41700 step time: 00:00:00.154010 Performance: 67.859 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:14:12,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41700 8340 60.13 -32617 6590.3 -39207 -39207 -9.5243e-06 -0.00028573 -0.00076195 72145 2024-05-07 21:14:27,840 INFO [main.py:798]
{rank 0/64} MD step = 41800 step time: 00:00:00.137014 Performance: 67.872 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 21:14:37,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41800 8360 59.67 -32539 6540 -39079 -39079 -0.00020239 -0.00026668 -2.8573e-05 72344 2024-05-07 21:14:53,465 INFO [main.py:798]
{rank 0/64} MD step = 41900 step time: 00:00:00.138281 Performance: 67.871 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 21:15:00,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41900 8380 59.526 -32519 6524.2 -39043 -39043 -0.00023811 -0.00033335 -0.00014287 72524 2024-05-07 21:15:16,692 INFO [main.py:798]
{rank 0/64} MD step = 42000 step time: 00:00:00.154749 Performance: 67.885 ns/day 0.354 hours/ns 3.929 steps/s 2024-05-07 21:15:22,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42000 8400 58.748 -32599 6438.8 -39038 -39038 0.00028573 -0.00045717 -1.9049e-05 72711 2024-05-07 21:15:38,814 INFO [main.py:798]
{rank 0/64} MD step = 42100 step time: 00:00:00.144963 Performance: 67.906 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 21:15:46,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42100 8420 58.999 -32640 6466.4 -39106 -39106 -0.00041907 -0.00030002 -9.5243e-06 72883 2024-05-07 21:16:02,774 INFO [main.py:798]
{rank 0/64} MD step = 42200 step time: 00:00:00.158426 Performance: 67.916 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 21:16:14,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42200 8440 59.4 -32607 6510.3 -39118 -39118 -0.00015239 -0.00049527 -0.00077623 73028 2024-05-07 21:16:30,672 INFO [main.py:798]
{rank 0/64} MD step = 42300 step time: 00:00:00.144959 Performance: 67.900 ns/day 0.353 hours/ns 3.929 steps/s 2024-05-07 21:16:46,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42300 8460 60.309 -32563 6610 -39173 -39173 -3.3335e-05 -0.00033335 -0.00060956 73202 2024-05-07 21:17:02,484 INFO [main.py:798]
{rank 0/64} MD step = 42400 step time: 00:00:00.168404 Performance: 67.860 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:17:21,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42400 8480 59.88 -32639 6562.9 -39202 -39202 7.6195e-05 -0.0004286 -0.00019049 73367 2024-05-07 21:17:37,611 INFO [main.py:798]
{rank 0/64} MD step = 42500 step time: 00:00:00.160920 Performance: 67.800 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 21:17:44,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42500 8500 60.267 -32570 6605.3 -39175 -39175 -0.0003524 -0.00032383 -0.00076195 73550 2024-05-07 21:18:00,242 INFO [main.py:798]
{rank 0/64} MD step = 42600 step time: 00:00:00.152773 Performance: 67.817 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 21:18:07,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42600 8520 60.023 -32614 6578.6 -39193 -39193 -0.00030478 -0.00024763 -0.00011429 73747 2024-05-07 21:18:23,938 INFO [main.py:798]
{rank 0/64} MD step = 42700 step time: 00:00:00.159592 Performance: 67.829 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 21:18:29,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42700 8540 60.348 -32674 6614.2 -39288 -39288 -0.00015239 -0.00030478 4.286e-05 73908 2024-05-07 21:18:45,300 INFO [main.py:798]
{rank 0/64} MD step = 42800 step time: 00:00:00.171183 Performance: 67.854 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:18:56,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42800 8560 60.923 -32648 6677.2 -39325 -39325 -0.0003143 -0.00039526 0.00015239 74050 2024-05-07 21:19:11,812 INFO [main.py:798]
{rank 0/64} MD step = 42900 step time: 00:00:00.155843 Performance: 67.848 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 21:19:17,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42900 8580 60.097 -32540 6586.7 -39126 -39126 0 -0.00032383 -0.00029525 74280 2024-05-07 21:19:33,594 INFO [main.py:798]
{rank 0/64} MD step = 43000 step time: 00:00:00.159424 Performance: 67.871 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 21:19:41,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43000 8600 60.428 -32589 6623 -39212 -39212 -0.0003524 -0.00043812 -0.00038097 74455 2024-05-07 21:19:58,404 INFO [main.py:798]
{rank 0/64} MD step = 43100 step time: 00:00:00.164657 Performance: 67.875 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 21:20:05,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43100 8620 60.302 -32556 6609.1 -39165 -39165 -0.0004286 -0.00022858 -0.00059527 74594 2024-05-07 21:20:21,174 INFO [main.py:798]
{rank 0/64} MD step = 43200 step time: 00:00:00.160439 Performance: 67.891 ns/day 0.354 hours/ns 3.929 steps/s 2024-05-07 21:20:36,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43200 8640 60.392 -32510 6619.1 -39129 -39129 -0.00038097 -0.00019049 -0.00041907 74767 2024-05-07 21:20:52,879 INFO [main.py:798]
{rank 0/64} MD step = 43300 step time: 00:00:00.143307 Performance: 67.853 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 21:21:10,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43300 8660 60.483 -32655 6629 -39284 -39284 -0.0004905 -0.00048574 -0.00060956 74917 2024-05-07 21:21:26,224 INFO [main.py:798]
{rank 0/64} MD step = 43400 step time: 00:00:00.163595 Performance: 67.804 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 21:21:42,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43400 8680 60.189 -32617 6596.8 -39213 -39213 -0.00030478 -0.00047622 3.8097e-05 75065 2024-05-07 21:21:58,567 INFO [main.py:798]
{rank 0/64} MD step = 43500 step time: 00:00:00.174498 Performance: 67.762 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 21:22:04,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43500 8700 60.022 -32681 6578.5 -39260 -39260 -4.7622e-05 -0.00051431 -0.00013334 75231 2024-05-07 21:22:20,755 INFO [main.py:798]
{rank 0/64} MD step = 43600 step time: 00:00:00.162294 Performance: 67.783 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 21:22:25,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43600 8720 60.043 -32559 6580.8 -39140 -39140 -0.00032383 -0.00056194 -0.00043812 75453 2024-05-07 21:22:43,959 INFO [main.py:798]
{rank 0/64} MD step = 43700 step time: 00:00:00.155399 Performance: 67.797 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 21:23:00,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43700 8740 59.753 -32761 6549 -39310 -39310 -0.00032383 -0.00045717 -0.00068575 75628 2024-05-07 21:23:16,001 INFO [main.py:798]
{rank 0/64} MD step = 43800 step time: 00:00:00.163005 Performance: 67.757 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 21:24:03,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43800 8760 60.399 -32529 6619.8 -39149 -39149 -0.00036193 -0.00041907 -0.00060956 75781 2024-05-07 21:24:21,421 INFO [main.py:798]
{rank 0/64} MD step = 43900 step time: 00:00:00.154004 Performance: 67.516 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-07 21:24:31,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43900 8780 59.609 -32692 6533.3 -39225 -39225 -0.00041907 -0.00038097 -0.00068575 75935 2024-05-07 21:24:47,971 INFO [main.py:798]
{rank 0/64} MD step = 44000 step time: 00:00:00.157895 Performance: 67.510 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-07 21:24:55,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44000 8800 60.394 -32583 6619.3 -39202 -39202 -7.1433e-05 -0.00062861 -0.00026668 76116 2024-05-07 21:25:11,023 INFO [main.py:798]
{rank 0/64} MD step = 44100 step time: 00:00:00.153395 Performance: 67.526 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-07 21:25:17,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44100 8820 59.959 -32655 6571.6 -39226 -39226 -0.00041907 -0.00030954 -0.00015239 76281 2024-05-07 21:25:33,289 INFO [main.py:798]
{rank 0/64} MD step = 44200 step time: 00:00:00.156326 Performance: 67.545 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 21:25:54,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44200 8840 60.252 -32524 6603.7 -39128 -39128 -0.00021906 -0.00045717 -0.00030478 76443 2024-05-07 21:26:09,960 INFO [main.py:798]
{rank 0/64} MD step = 44300 step time: 00:00:00.157993 Performance: 67.479 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:26:33,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44300 8860 60.614 -32557 6643.4 -39200 -39200 -1.9049e-05 -0.0004905 -0.00072861 76616 2024-05-07 21:26:51,291 INFO [main.py:798]
{rank 0/64} MD step = 44400 step time: 00:00:00.154455 Performance: 67.386 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-07 21:26:58,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44400 8880 59.269 -32637 6495.9 -39133 -39133 -0.00024763 -0.00053336 -0.00031907 76810 2024-05-07 21:27:14,466 INFO [main.py:798]
{rank 0/64} MD step = 44500 step time: 00:00:00.153756 Performance: 67.401 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 21:27:24,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44500 8900 59.906 -32533 6565.8 -39099 -39099 -4.7622e-05 -0.00041907 -0.00041907 76984 2024-05-07 21:27:40,864 INFO [main.py:798]
{rank 0/64} MD step = 44600 step time: 00:00:00.151113 Performance: 67.396 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-07 21:27:46,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44600 8920 59.701 -32627 6543.3 -39170 -39170 -0.00030478 -0.0003143 -0.00024763 77178 2024-05-07 21:28:02,734 INFO [main.py:798]
{rank 0/64} MD step = 44700 step time: 00:00:00.151986 Performance: 67.418 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-07 21:28:08,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44700 8940 60.718 -32658 6654.8 -39312 -39312 -6.667e-05 -0.00047622 -0.0003143 77357 2024-05-07 21:28:24,756 INFO [main.py:798]
{rank 0/64} MD step = 44800 step time: 00:00:00.143097 Performance: 67.440 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 21:28:39,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44800 8960 60.997 -32551 6685.3 -39236 -39236 -0.00033811 -0.00040002 -3.8097e-05 77538 2024-05-07 21:28:54,873 INFO [main.py:798]
{rank 0/64} MD step = 44900 step time: 00:00:00.161044 Performance: 67.413 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 21:29:04,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44900 8980 59.802 -32650 6554.3 -39204 -39204 -0.00036193 -0.00053813 -0.00030478 77715 2024-05-07 21:29:21,168 INFO [main.py:798]
{rank 0/64} MD step = 45000 step time: 00:00:00.165051 Performance: 67.409 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 21:29:26,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45000 9000 60.664 -32398 6648.9 -39047 -39047 -8.0957e-05 -0.00080005 -0.00051431 77909 2024-05-07 21:29:41,733 INFO [main.py:798]
{rank 0/64} MD step = 45100 step time: 00:00:00.146601 Performance: 67.439 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 21:29:47,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45100 9020 59.891 -32522 6564.2 -39086 -39086 -0.00038097 -0.00046669 5.7146e-05 78061 2024-05-07 21:30:03,598 INFO [main.py:798]
{rank 0/64} MD step = 45200 step time: 00:00:00.149399 Performance: 67.461 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-07 21:30:22,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45200 9040 59.477 -32665 6518.8 -39184 -39184 -0.00051431 -0.00047622 0.00015239 78242 2024-05-07 21:30:38,103 INFO [main.py:798]
{rank 0/64} MD step = 45300 step time: 00:00:00.164377 Performance: 67.409 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 21:30:52,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45300 9060 60.349 -32431 6614.3 -39045 -39045 -0.00043812 -0.00011429 -0.00015239 78436 2024-05-07 21:31:08,616 INFO [main.py:798]
{rank 0/64} MD step = 45400 step time: 00:00:00.157308 Performance: 67.381 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-07 21:31:15,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45400 9080 59.547 -32592 6526.5 -39118 -39118 -0.00043812 -0.00023811 -0.00047622 78615 2024-05-07 21:31:31,235 INFO [main.py:798]
{rank 0/64} MD step = 45500 step time: 00:00:00.160692 Performance: 67.398 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-07 21:31:37,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45500 9100 60.197 -32620 6597.7 -39218 -39218 -7.6195e-05 -0.00061908 -0.0007048 78795 2024-05-07 21:31:53,395 INFO [main.py:798]
{rank 0/64} MD step = 45600 step time: 00:00:00.160406 Performance: 67.419 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-07 21:31:59,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45600 9120 60.54 -32401 6635.3 -39037 -39037 -0.00048574 -0.00041907 -0.00044764 79002 2024-05-07 21:32:15,393 INFO [main.py:798]
{rank 0/64} MD step = 45700 step time: 00:00:00.164390 Performance: 67.439 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 21:32:21,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45700 9140 59.498 -32648 6521.1 -39169 -39169 -0.00025001 0.00015239 -0.00041907 79159 2024-05-07 21:32:37,675 INFO [main.py:798]
{rank 0/64} MD step = 45800 step time: 00:00:00.154699 Performance: 67.459 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-07 21:32:43,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45800 9160 60.581 -32555 6639.7 -39194 -39194 -0.00034764 -0.00051431 -7.6195e-05 79306 2024-05-07 21:32:59,636 INFO [main.py:798]
{rank 0/64} MD step = 45900 step time: 00:00:00.153739 Performance: 67.480 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:33:08,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45900 9180 60.777 -32451 6661.2 -39112 -39112 -0.00047622 -0.00022858 -7.6195e-05 79481 2024-05-07 21:33:23,909 INFO [main.py:798]
{rank 0/64} MD step = 46000 step time: 00:00:00.136241 Performance: 67.487 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:33:35,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46000 9200 59.8 -32641 6554.1 -39195 -39195 -0.00032383 -0.00033573 -0.00064766 79634 2024-05-07 21:33:51,872 INFO [main.py:798]
{rank 0/64} MD step = 46100 step time: 00:00:00.154646 Performance: 67.474 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:34:01,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46100 9220 60.025 -32560 6578.8 -39139 -39139 -0.00029049 -0.00040002 -2.8573e-05 79800 2024-05-07 21:34:17,339 INFO [main.py:798]
{rank 0/64} MD step = 46200 step time: 00:00:00.164428 Performance: 67.475 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:34:23,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46200 9240 59.415 -32662 6512 -39174 -39174 -0.00017144 -0.00038812 -0.00034288 79951 2024-05-07 21:34:38,785 INFO [main.py:798]
{rank 0/64} MD step = 46300 step time: 00:00:00.177211 Performance: 67.498 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:35:05,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46300 9260 59.444 -32607 6515.1 -39122 -39122 -0.00038097 -0.00038097 5.2384e-05 80126 2024-05-07 21:35:20,843 INFO [main.py:798]
{rank 0/64} MD step = 46400 step time: 00:00:00.142686 Performance: 67.405 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 21:35:39,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46400 9280 59.458 -32811 6516.7 -39328 -39328 -0.0004286 -0.00036193 -0.00068099 80274 2024-05-07 21:35:55,684 INFO [main.py:798]
{rank 0/64} MD step = 46500 step time: 00:00:00.173704 Performance: 67.353 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-07 21:36:02,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46500 9300 60.152 -32553 6592.8 -39145 -39145 -0.00026668 -0.00060956 -0.00064766 80473 2024-05-07 21:36:20,456 INFO [main.py:798]
{rank 0/64} MD step = 46600 step time: 00:00:00.167771 Performance: 67.358 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-07 21:36:28,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46600 9320 59.827 -32499 6557.1 -39056 -39056 -0.00034288 -0.00045717 -0.00064766 80697 2024-05-07 21:36:43,880 INFO [main.py:798]
{rank 0/64} MD step = 46700 step time: 00:00:00.162845 Performance: 67.370 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-07 21:36:54,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46700 9340 59.682 -32634 6541.2 -39175 -39175 -0.00058099 -0.00045717 -0.00017144 80850 2024-05-07 21:37:08,796 INFO [main.py:798]
{rank 0/64} MD step = 46800 step time: 00:00:00.157465 Performance: 67.375 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-07 21:37:16,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46800 9360 59.481 -32609 6519.2 -39128 -39128 -0.00034288 -0.00052384 -0.00038097 81045 2024-05-07 21:37:32,068 INFO [main.py:798]
{rank 0/64} MD step = 46900 step time: 00:00:00.162384 Performance: 67.388 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-07 21:37:38,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46900 9380 59.4 -32640 6510.4 -39151 -39151 -0.00015239 -0.00021906 -1.6668e-05 81226 2024-05-07 21:37:53,958 INFO [main.py:798]
{rank 0/64} MD step = 47000 step time: 00:00:00.151755 Performance: 67.409 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 21:37:57,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47000 9400 59.043 -32699 6471.2 -39170 -39170 -0.00034288 -0.00049527 -0.0005286 81397 2024-05-07 21:38:16,097 INFO [main.py:798]
{rank 0/64} MD step = 47100 step time: 00:00:00.152317 Performance: 67.428 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-07 21:38:21,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47100 9420 59.95 -32706 6570.6 -39277 -39277 -0.00034288 -0.00040002 -0.00031907 81541 2024-05-07 21:38:37,594 INFO [main.py:798]
{rank 0/64} MD step = 47200 step time: 00:00:00.152548 Performance: 67.451 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 21:38:43,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47200 9440 59.834 -32629 6557.9 -39187 -39187 -0.00013334 -0.00034288 -0.0007048 81740 2024-05-07 21:38:58,507 INFO [main.py:798]
{rank 0/64} MD step = 47300 step time: 00:00:00.147803 Performance: 67.478 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:39:05,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47300 9460 59.244 -32641 6493.2 -39134 -39134 -0.00026668 0.00011905 -0.00057146 81927 2024-05-07 21:39:23,979 INFO [main.py:798]
{rank 0/64} MD step = 47400 step time: 00:00:00.139077 Performance: 67.478 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:39:32,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47400 9480 60.65 -32459 6647.3 -39106 -39106 -0.00038097 -0.00053336 -0.00024763 82106 2024-05-07 21:39:48,108 INFO [main.py:798]
{rank 0/64} MD step = 47500 step time: 00:00:00.139024 Performance: 67.487 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:39:56,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47500 9500 60.015 -32671 6577.7 -39249 -39249 -0.00017144 -0.00047622 0 82238 2024-05-07 21:40:12,786 INFO [main.py:798]
{rank 0/64} MD step = 47600 step time: 00:00:00.145879 Performance: 67.492 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:40:20,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47600 9520 60.286 -32477 6607.5 -39084 -39084 -4.7622e-05 -0.00041907 -0.0003024 82424 2024-05-07 21:40:36,690 INFO [main.py:798]
{rank 0/64} MD step = 47700 step time: 00:00:00.146313 Performance: 67.501 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:40:43,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47700 9540 59.629 -32583 6535.4 -39119 -39119 -0.00038097 -0.00055241 -0.00011429 82595 2024-05-07 21:40:59,464 INFO [main.py:798]
{rank 0/64} MD step = 47800 step time: 00:00:00.151149 Performance: 67.517 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-07 21:41:06,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47800 9560 60.446 -32427 6625 -39052 -39052 -0.00036193 -0.00030478 -0.00058099 82822 2024-05-07 21:41:22,328 INFO [main.py:798]
{rank 0/64} MD step = 47900 step time: 00:00:00.156774 Performance: 67.532 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-07 21:41:44,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47900 9580 60.732 -32565 6656.3 -39222 -39222 -0.00020954 -0.00026668 1.9049e-05 82964 2024-05-07 21:42:00,388 INFO [main.py:798]
{rank 0/64} MD step = 48000 step time: 00:00:00.146267 Performance: 67.463 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-07 21:42:20,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48000 9600 60.424 -32535 6622.6 -39158 -39158 -3.8097e-05 -0.00068575 -0.00057146 83127 2024-05-07 21:42:36,326 INFO [main.py:798]
{rank 0/64} MD step = 48100 step time: 00:00:00.141453 Performance: 67.407 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 21:42:46,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48100 9620 59.429 -32659 6513.4 -39173 -39173 -0.00032383 -0.0003143 -3.8097e-05 83302 2024-05-07 21:43:02,075 INFO [main.py:798]
{rank 0/64} MD step = 48200 step time: 00:00:00.148400 Performance: 67.406 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 21:43:07,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48200 9640 60.248 -32538 6603.3 -39141 -39141 -0.00024287 -0.00032383 -0.000781 83514 2024-05-07 21:43:25,129 INFO [main.py:798]
{rank 0/64} MD step = 48300 step time: 00:00:00.147557 Performance: 67.420 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-07 21:43:31,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48300 9660 59.84 -32654 6558.6 -39213 -39213 -0.00046669 -0.00068575 -0.00049527 83670 2024-05-07 21:43:47,407 INFO [main.py:798]
{rank 0/64} MD step = 48400 step time: 00:00:00.135809 Performance: 67.438 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 21:43:54,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48400 9680 60.444 -32423 6624.7 -39048 -39048 -0.00028573 -0.00064766 -0.00076195 83856 2024-05-07 21:44:10,622 INFO [main.py:798]
{rank 0/64} MD step = 48500 step time: 00:00:00.136398 Performance: 67.451 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 21:44:16,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48500 9700 60.599 -32558 6641.7 -39199 -39199 -0.00029525 -0.00053336 -0.00060956 84008 2024-05-07 21:44:33,098 INFO [main.py:798]
{rank 0/64} MD step = 48600 step time: 00:00:00.144744 Performance: 67.469 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-07 21:44:41,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48600 9720 59.149 -32683 6482.8 -39166 -39166 -0.00026668 -0.00048574 -9.5243e-06 84210 2024-05-07 21:44:57,380 INFO [main.py:798]
{rank 0/64} MD step = 48700 step time: 00:00:00.153202 Performance: 67.476 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:45:03,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48700 9740 59.985 -32611 6574.4 -39186 -39186 -0.00020954 -0.00011429 -0.00024763 84386 2024-05-07 21:45:19,631 INFO [main.py:798]
{rank 0/64} MD step = 48800 step time: 00:00:00.150615 Performance: 67.494 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:45:25,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48800 9760 60.628 -32402 6644.9 -39047 -39047 -0.00038097 0.00019049 -0.00040002 84579 2024-05-07 21:45:41,547 INFO [main.py:798]
{rank 0/64} MD step = 48900 step time: 00:00:00.152623 Performance: 67.514 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-07 21:46:00,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48900 9780 59.694 -32537 6542.6 -39079 -39079 -2.8573e-05 -0.00029525 -0.00030478 84776 2024-05-07 21:46:16,700 INFO [main.py:798]
{rank 0/64} MD step = 49000 step time: 00:00:00.148698 Performance: 67.462 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-07 21:46:33,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49000 9800 59.783 -32579 6552.2 -39131 -39131 -0.00030478 -0.00045717 -0.00015239 84924 2024-05-07 21:46:49,065 INFO [main.py:798]
{rank 0/64} MD step = 49100 step time: 00:00:00.150954 Performance: 67.426 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-07 21:46:54,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49100 9820 60.609 -32550 6642.8 -39193 -39193 -0.00040002 -0.00050479 5.7146e-05 85090 2024-05-07 21:47:10,882 INFO [main.py:798]
{rank 0/64} MD step = 49200 step time: 00:00:00.142250 Performance: 67.447 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 21:47:16,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49200 9840 60.447 -32455 6625.1 -39080 -39080 -0.00030478 -0.00036669 -0.00055241 85282 2024-05-07 21:47:33,193 INFO [main.py:798]
{rank 0/64} MD step = 49300 step time: 00:00:00.169530 Performance: 67.464 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-07 21:47:40,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49300 9860 61.016 -32462 6687.4 -39149 -39149 -0.00028573 -0.00051431 -0.0003143 85441 2024-05-07 21:47:56,618 INFO [main.py:798]
{rank 0/64} MD step = 49400 step time: 00:00:00.152190 Performance: 67.476 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-07 21:48:03,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49400 9880 60.106 -32537 6587.7 -39124 -39124 -0.00036193 -0.00030478 -0.000781 85631 2024-05-07 21:48:19,633 INFO [main.py:798]
{rank 0/64} MD step = 49500 step time: 00:00:00.150985 Performance: 67.490 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:48:27,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49500 9900 59.169 -32707 6485 -39192 -39192 3.8097e-05 -0.00057146 -0.00053336 85813 2024-05-07 21:48:43,065 INFO [main.py:798]
{rank 0/64} MD step = 49600 step time: 00:00:00.153429 Performance: 67.501 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:48:49,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49600 9920 59.87 -32532 6561.8 -39093 -39093 -0.00034288 -0.00055241 -0.00018572 86004 2024-05-07 21:49:05,590 INFO [main.py:798]
{rank 0/64} MD step = 49700 step time: 00:00:00.187659 Performance: 67.518 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-07 21:49:12,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49700 9940 59.622 -32503 6534.7 -39038 -39038 -0.00055241 -0.00036669 -0.00014287 86184 2024-05-07 21:49:28,526 INFO [main.py:798]
{rank 0/64} MD step = 49800 step time: 00:00:00.162767 Performance: 67.532 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-07 21:49:35,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49800 9960 59.274 -32686 6496.6 -39182 -39182 -0.00044764 0 -0.00062861 86391 2024-05-07 21:49:51,806 INFO [main.py:798]
{rank 0/64} MD step = 49900 step time: 00:00:00.172122 Performance: 67.544 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 21:49:58,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49900 9980 60.395 -32497 6619.4 -39116 -39116 -0.00030478 -0.00064766 -0.00047622 86563 2024-05-07 21:50:14,068 INFO [main.py:798]
{rank 0/64} MD step = 50000 step time: 00:00:00.161560 Performance: 67.561 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-07 21:50:27,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50000 10000 60.338 -32434 6613.1 -39047 -39047 -0.00032383 -0.00017144 -0.00057146 86729 2024-05-07 21:50:46,553 INFO [main.py:798]
{rank 0/64} MD step = 50100 step time: 00:00:00.153568 Performance: 67.525 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-07 21:51:01,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50100 10020 59.666 -32492 6539.5 -39031 -39031 -0.00047622 -0.00060003 -0.00038097 86896 2024-05-07 21:51:16,589 INFO [main.py:798]
{rank 0/64} MD step = 50200 step time: 00:00:00.164447 Performance: 67.502 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:51:27,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50200 10040 60.368 -32575 6616.4 -39192 -39192 -0.00030478 -0.0006667 -4.7622e-05 87020 2024-05-07 21:51:43,401 INFO [main.py:798]
{rank 0/64} MD step = 50300 step time: 00:00:00.153134 Performance: 67.495 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-07 21:51:50,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50300 10060 59.008 -32728 6467.4 -39195 -39195 -0.00032383 -0.00049527 -0.00049527 87186 2024-05-07 21:52:06,466 INFO [main.py:798]
{rank 0/64} MD step = 50400 step time: 00:00:00.160226 Performance: 67.509 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-07 21:52:12,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50400 10080 59.674 -32617 6540.3 -39157 -39157 -0.00053336 -0.00049527 -0.00070956 87368 2024-05-07 21:52:28,557 INFO [main.py:798]
{rank 0/64} MD step = 50500 step time: 00:00:00.158089 Performance: 67.527 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-07 21:52:34,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50500 10100 59.62 -32682 6534.4 -39217 -39217 -0.00024763 -0.00040002 -0.00048098 87547 2024-05-07 21:52:49,941 INFO [main.py:798]
{rank 0/64} MD step = 50600 step time: 00:00:00.154730 Performance: 67.549 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 21:52:59,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50600 10120 60.321 -32594 6611.3 -39206 -39206 -0.00011429 -0.00030478 -0.00049527 87706 2024-05-07 21:53:15,279 INFO [main.py:798]
{rank 0/64} MD step = 50700 step time: 00:00:00.170160 Performance: 67.550 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 21:53:22,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50700 10140 59.814 -32535 6555.7 -39090 -39090 -0.00050003 -0.00015715 -0.00072385 87915 2024-05-07 21:53:38,726 INFO [main.py:798]
{rank 0/64} MD step = 50800 step time: 00:00:00.164863 Performance: 67.561 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-07 21:53:46,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50800 10160 59.988 -32643 6574.8 -39217 -39217 3.8097e-05 -0.00040955 -0.00075242 88044 2024-05-07 21:54:02,730 INFO [main.py:798]
{rank 0/64} MD step = 50900 step time: 00:00:00.171635 Performance: 67.569 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-07 21:54:07,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50900 10180 60.118 -32426 6589 -39015 -39015 -0.00054289 -0.00034288 -0.00064766 88275 2024-05-07 21:54:24,929 INFO [main.py:798]
{rank 0/64} MD step = 51000 step time: 00:00:00.159897 Performance: 67.587 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-07 21:54:30,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51000 10200 59.627 -32655 6535.2 -39190 -39190 -0.00011429 -0.00024763 -0.00019049 88411 2024-05-07 21:54:46,536 INFO [main.py:798]
{rank 0/64} MD step = 51100 step time: 00:00:00.162894 Performance: 67.607 ns/day 0.355 hours/ns 3.912 steps/s 2024-05-07 21:55:03,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51100 10220 59.876 -32463 6562.5 -39025 -39025 -0.00067623 -0.00045241 -0.00046669 88607 2024-05-07 21:55:18,772 INFO [main.py:798]
{rank 0/64} MD step = 51200 step time: 00:00:00.162108 Performance: 67.573 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-07 21:55:34,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51200 10240 60.471 -32373 6627.7 -39001 -39001 -0.00022858 -0.00026668 0.00011429 88808 2024-05-07 21:55:50,718 INFO [main.py:798]
{rank 0/64} MD step = 51300 step time: 00:00:00.155245 Performance: 67.540 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 21:55:59,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51300 10260 60.009 -32637 6577 -39214 -39214 -0.00040478 -0.00055241 -0.00068575 88952 2024-05-07 21:56:16,023 INFO [main.py:798]
{rank 0/64} MD step = 51400 step time: 00:00:00.162451 Performance: 67.541 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 21:56:21,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51400 10280 59.286 -32790 6497.8 -39288 -39288 -0.00040002 -0.00060956 -0.00030478 89102 2024-05-07 21:56:37,444 INFO [main.py:798]
{rank 0/64} MD step = 51500 step time: 00:00:00.154028 Performance: 67.563 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-07 21:56:43,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51500 10300 58.908 -32692 6456.4 -39148 -39148 -0.00032383 -0.0003524 -0.00016191 89299 2024-05-07 21:56:58,813 INFO [main.py:798]
{rank 0/64} MD step = 51600 step time: 00:00:00.148359 Performance: 67.584 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-07 21:57:05,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51600 10320 60.999 -32337 6685.6 -39022 -39022 0.00026668 -0.00069528 -8.5719e-05 89494 2024-05-07 21:57:21,786 INFO [main.py:798]
{rank 0/64} MD step = 51700 step time: 00:00:00.164513 Performance: 67.598 ns/day 0.355 hours/ns 3.912 steps/s 2024-05-07 21:57:27,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51700 10340 59.69 -32608 6542.1 -39150 -39150 0.00018096 -0.00041907 -0.00052384 89659 2024-05-07 21:57:43,745 INFO [main.py:798]
{rank 0/64} MD step = 51800 step time: 00:00:00.154464 Performance: 67.616 ns/day 0.355 hours/ns 3.913 steps/s 2024-05-07 21:57:48,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51800 10360 60.161 -32506 6593.7 -39100 -39100 -0.00043812 -0.00027621 3.8097e-05 89816 2024-05-07 21:58:05,059 INFO [main.py:798]
{rank 0/64} MD step = 51900 step time: 00:00:00.160479 Performance: 67.638 ns/day 0.355 hours/ns 3.914 steps/s 2024-05-07 21:58:10,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51900 10380 59.416 -32540 6512.1 -39052 -39052 -0.00038097 -0.00022858 -7.6195e-05 90004 2024-05-07 21:58:25,910 INFO [main.py:798]
{rank 0/64} MD step = 52000 step time: 00:00:00.171858 Performance: 67.662 ns/day 0.355 hours/ns 3.916 steps/s 2024-05-07 21:58:34,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52000 10400 60.403 -32584 6620.3 -39204 -39204 3.8097e-05 -0.00051431 -0.00036193 90132 2024-05-07 21:58:50,152 INFO [main.py:798]
{rank 0/64} MD step = 52100 step time: 00:00:00.162302 Performance: 67.668 ns/day 0.355 hours/ns 3.916 steps/s 2024-05-07 21:58:56,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52100 10420 60.098 -32637 6586.8 -39224 -39224 -0.00013334 -0.00045717 -0.00048098 90314 2024-05-07 21:59:13,007 INFO [main.py:798]
{rank 0/64} MD step = 52200 step time: 00:00:00.137718 Performance: 67.682 ns/day 0.355 hours/ns 3.917 steps/s 2024-05-07 21:59:19,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52200 10440 60.694 -32573 6652.1 -39226 -39226 -0.00049527 -0.00041907 -0.0006667 90468 2024-05-07 21:59:34,550 INFO [main.py:798]
{rank 0/64} MD step = 52300 step time: 00:00:00.135968 Performance: 67.702 ns/day 0.354 hours/ns 3.918 steps/s 2024-05-07 21:59:46,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52300 10460 61.18 -32371 6705.4 -39076 -39076 -0.00026668 -0.00030478 -0.00062861 90688 2024-05-07 22:00:06,127 INFO [main.py:798]
{rank 0/64} MD step = 52400 step time: 00:00:00.151778 Performance: 67.671 ns/day 0.355 hours/ns 3.916 steps/s 2024-05-07 22:00:29,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52400 10480 60.139 -32624 6591.3 -39215 -39215 -0.00017144 -0.00030478 -0.00026668 90835 2024-05-07 22:00:45,818 INFO [main.py:798]
{rank 0/64} MD step = 52500 step time: 00:00:00.150992 Performance: 67.600 ns/day 0.355 hours/ns 3.912 steps/s 2024-05-07 22:00:51,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52500 10500 59.772 -32588 6551 -39139 -39139 -0.00024763 -0.00032383 -0.00015239 91037 2024-05-07 22:01:07,635 INFO [main.py:798]
{rank 0/64} MD step = 52600 step time: 00:00:00.156475 Performance: 67.619 ns/day 0.355 hours/ns 3.913 steps/s 2024-05-07 22:01:11,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52600 10520 59.151 -32542 6483 -39025 -39025 -0.00020954 -0.0005667 -0.00064766 91193 2024-05-07 22:01:28,546 INFO [main.py:798]
{rank 0/64} MD step = 52700 step time: 00:00:00.154577 Performance: 67.642 ns/day 0.355 hours/ns 3.914 steps/s 2024-05-07 22:01:36,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52700 10540 59.469 -32684 6517.9 -39202 -39202 -0.00030478 -0.00072385 -0.00012382 91359 2024-05-07 22:01:52,283 INFO [main.py:798]
{rank 0/64} MD step = 52800 step time: 00:00:00.151565 Performance: 67.651 ns/day 0.355 hours/ns 3.915 steps/s 2024-05-07 22:01:59,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52800 10560 60.281 -32551 6606.9 -39158 -39158 -7.6195e-05 -0.00045717 -0.00072385 91505 2024-05-07 22:02:15,344 INFO [main.py:798]
{rank 0/64} MD step = 52900 step time: 00:00:00.162647 Performance: 67.664 ns/day 0.355 hours/ns 3.916 steps/s 2024-05-07 22:02:21,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52900 10580 60.09 -32629 6585.9 -39215 -39215 0.00017144 -0.00043812 -0.00011429 91690 2024-05-07 22:02:36,914 INFO [main.py:798]
{rank 0/64} MD step = 53000 step time: 00:00:00.162405 Performance: 67.683 ns/day 0.355 hours/ns 3.917 steps/s 2024-05-07 22:02:42,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53000 10600 60.713 -32535 6654.2 -39190 -39190 -0.00036193 -0.00057146 -0.00062861 91888 2024-05-07 22:02:58,270 INFO [main.py:798]
{rank 0/64} MD step = 53100 step time: 00:00:00.152933 Performance: 67.704 ns/day 0.354 hours/ns 3.918 steps/s 2024-05-07 22:03:01,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53100 10620 59.102 -32728 6477.7 -39205 -39205 -0.00025716 -0.00049527 -0.00045717 92008 2024-05-07 22:03:19,419 INFO [main.py:798]
{rank 0/64} MD step = 53200 step time: 00:00:00.154135 Performance: 67.726 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:03:24,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53200 10640 59.221 -32644 6490.6 -39135 -39135 -0.00036669 3.8097e-05 4.7622e-05 92185 2024-05-07 22:03:40,481 INFO [main.py:798]
{rank 0/64} MD step = 53300 step time: 00:00:00.154849 Performance: 67.748 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 22:03:45,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53300 10660 60.309 -32531 6610 -39141 -39141 -0.00026668 -0.00040002 -0.00039526 92340 2024-05-07 22:04:01,904 INFO [main.py:798]
{rank 0/64} MD step = 53400 step time: 00:00:00.155253 Performance: 67.769 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 22:04:19,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53400 10680 60.276 -32502 6606.3 -39109 -39109 -0.00032383 -0.00055241 -6.667e-05 92489 2024-05-07 22:04:35,952 INFO [main.py:798]
{rank 0/64} MD step = 53500 step time: 00:00:00.148264 Performance: 67.726 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:04:53,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53500 10700 59.174 -32711 6485.5 -39196 -39196 -0.00032383 -0.00028573 -0.0004286 92695 2024-05-07 22:05:14,528 INFO [main.py:798]
{rank 0/64} MD step = 53600 step time: 00:00:00.157795 Performance: 67.662 ns/day 0.355 hours/ns 3.916 steps/s 2024-05-07 22:05:20,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53600 10720 60.623 -32471 6644.4 -39115 -39115 -0.00045717 -0.00060956 -0.00064766 92860 2024-05-07 22:05:36,573 INFO [main.py:798]
{rank 0/64} MD step = 53700 step time: 00:00:00.156959 Performance: 67.679 ns/day 0.355 hours/ns 3.917 steps/s 2024-05-07 22:05:42,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53700 10740 60.263 -32431 6605 -39036 -39036 0.00026668 -0.00045717 -0.00038097 93029 2024-05-07 22:05:58,756 INFO [main.py:798]
{rank 0/64} MD step = 53800 step time: 00:00:00.167901 Performance: 67.695 ns/day 0.355 hours/ns 3.918 steps/s 2024-05-07 22:06:03,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53800 10760 60.487 -32467 6629.5 -39096 -39096 -0.00034288 -0.00061908 -0.00028573 93183 2024-05-07 22:06:21,406 INFO [main.py:798]
{rank 0/64} MD step = 53900 step time: 00:00:00.161154 Performance: 67.709 ns/day 0.354 hours/ns 3.918 steps/s 2024-05-07 22:06:27,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53900 10780 60.233 -32584 6601.6 -39186 -39186 -0.00032383 -0.00049527 -0.00038097 93321 2024-05-07 22:06:43,375 INFO [main.py:798]
{rank 0/64} MD step = 54000 step time: 00:00:00.159780 Performance: 67.727 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:06:48,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54000 10800 60.344 -32532 6613.8 -39146 -39146 -0.00026668 1.9049e-05 -0.00045717 93496 2024-05-07 22:07:04,350 INFO [main.py:798]
{rank 0/64} MD step = 54100 step time: 00:00:00.159516 Performance: 67.749 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 22:07:10,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54100 10820 59.734 -32574 6546.9 -39120 -39120 -0.00011429 -0.00027621 -0.00071433 93681 2024-05-07 22:07:26,264 INFO [main.py:798]
{rank 0/64} MD step = 54200 step time: 00:00:00.157141 Performance: 67.767 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 22:07:31,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54200 10840 60.355 -32570 6615 -39185 -39185 -0.00060956 -0.00064766 -7.6195e-05 93842 2024-05-07 22:07:47,816 INFO [main.py:798]
{rank 0/64} MD step = 54300 step time: 00:00:00.152987 Performance: 67.786 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:07:53,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54300 10860 60.432 -32357 6623.4 -38980 -38980 5.7146e-05 -0.00051431 -0.00030478 94034 2024-05-07 22:08:10,333 INFO [main.py:798]
{rank 0/64} MD step = 54400 step time: 00:00:00.159341 Performance: 67.801 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:08:16,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54400 10880 59.876 -32687 6562.5 -39250 -39250 -0.00055241 -0.00053336 -0.00060003 94142 2024-05-07 22:08:31,658 INFO [main.py:798]
{rank 0/64} MD step = 54500 step time: 00:00:00.165448 Performance: 67.821 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:08:46,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54500 10900 59.728 -32463 6546.3 -39009 -39009 0.00037145 -0.00045717 0 94360 2024-05-07 22:09:01,988 INFO [main.py:798]
{rank 0/64} MD step = 54600 step time: 00:00:00.154068 Performance: 67.797 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:09:22,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54600 10920 60.31 -32438 6610.1 -39048 -39048 -0.00024763 -0.00011429 -0.00038097 94545 2024-05-07 22:09:39,325 INFO [main.py:798]
{rank 0/64} MD step = 54700 step time: 00:00:00.154095 Performance: 67.740 ns/day 0.354 hours/ns 3.920 steps/s 2024-05-07 22:09:44,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54700 10940 59.551 -32598 6526.9 -39125 -39125 -0.00023811 -0.00027621 -5.7146e-05 94699 2024-05-07 22:10:00,477 INFO [main.py:798]
{rank 0/64} MD step = 54800 step time: 00:00:00.172076 Performance: 67.761 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 22:10:06,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54800 10960 58.885 -32883 6453.8 -39336 -39336 -0.00038097 -0.00045241 -9.5243e-05 94834 2024-05-07 22:10:23,525 INFO [main.py:798]
{rank 0/64} MD step = 54900 step time: 00:00:00.159406 Performance: 67.773 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 22:10:29,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54900 10980 59.549 -32644 6526.6 -39171 -39171 -0.00043812 -0.00062861 -0.00047146 95066 2024-05-07 22:10:45,239 INFO [main.py:798]
{rank 0/64} MD step = 55000 step time: 00:00:00.164029 Performance: 67.791 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:10:53,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55000 11000 59.758 -32574 6549.5 -39123 -39123 -0.00023811 -0.00068575 -0.00081909 95262 2024-05-07 22:11:09,167 INFO [main.py:798]
{rank 0/64} MD step = 55100 step time: 00:00:00.155582 Performance: 67.799 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:11:15,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55100 11020 59.705 -32736 6543.8 -39279 -39279 -0.00029525 -0.00064766 -0.00064766 95403 2024-05-07 22:11:31,993 INFO [main.py:798]
{rank 0/64} MD step = 55200 step time: 00:00:00.160806 Performance: 67.811 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:11:36,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55200 11040 59.767 -32673 6550.5 -39223 -39223 -0.00028573 -0.00037145 5.7146e-05 95589 2024-05-07 22:11:55,854 INFO [main.py:798]
{rank 0/64} MD step = 55300 step time: 00:00:00.156966 Performance: 67.819 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:12:04,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55300 11060 60.236 -32456 6601.9 -39058 -39058 -0.00027621 -0.00059527 -0.00055241 95784 2024-05-07 22:12:19,532 INFO [main.py:798]
{rank 0/64} MD step = 55400 step time: 00:00:00.160880 Performance: 67.828 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:12:26,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55400 11080 60.374 -32488 6617.1 -39106 -39106 7.6195e-05 -0.00032383 -0.00011905 95949 2024-05-07 22:12:42,194 INFO [main.py:798]
{rank 0/64} MD step = 55500 step time: 00:00:00.154277 Performance: 67.841 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:12:49,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55500 11100 59.653 -32610 6538 -39148 -39148 -0.00022858 -0.00045717 -0.00055717 96140 2024-05-07 22:13:05,890 INFO [main.py:798]
{rank 0/64} MD step = 55600 step time: 00:00:00.162062 Performance: 67.850 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:13:24,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55600 11120 59.341 -32845 6503.8 -39348 -39348 -0.00015239 7.6195e-05 -0.00053336 96294 2024-05-07 22:13:39,865 INFO [main.py:798]
{rank 0/64} MD step = 55700 step time: 00:00:00.160726 Performance: 67.809 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:13:52,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55700 11140 59.46 -32712 6516.9 -39229 -39229 -0.00022858 -0.0004286 -0.00027621 96510 2024-05-07 22:14:14,524 INFO [main.py:798]
{rank 0/64} MD step = 55800 step time: 00:00:00.157117 Performance: 67.765 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 22:14:20,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55800 11160 59.972 -32704 6573 -39277 -39277 -0.00019049 -0.00050479 -0.00047622 96686 2024-05-07 22:14:36,752 INFO [main.py:798]
{rank 0/64} MD step = 55900 step time: 00:00:00.157558 Performance: 67.781 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:14:43,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55900 11180 60.571 -32333 6638.6 -38972 -38972 -0.00045717 -0.00046669 -0.00015239 96891 2024-05-07 22:14:59,555 INFO [main.py:798]
{rank 0/64} MD step = 56000 step time: 00:00:00.152999 Performance: 67.794 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:15:06,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56000 11200 59.611 -32660 6533.4 -39194 -39194 -0.00038097 -0.00025716 -0.00045717 97028 2024-05-07 22:15:22,008 INFO [main.py:798]
{rank 0/64} MD step = 56100 step time: 00:00:00.148678 Performance: 67.808 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:15:31,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56100 11220 60.511 -32525 6632.1 -39157 -39157 -0.00043812 -0.00040955 -0.00010477 97196 2024-05-07 22:15:46,449 INFO [main.py:798]
{rank 0/64} MD step = 56200 step time: 00:00:00.141951 Performance: 67.813 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:15:52,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56200 11240 60.084 -32548 6585.3 -39134 -39134 -0.00021906 -0.00060956 -0.00048574 97418 2024-05-07 22:16:09,033 INFO [main.py:798]
{rank 0/64} MD step = 56300 step time: 00:00:00.150231 Performance: 67.827 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:16:17,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56300 11260 60.037 -32631 6580.2 -39211 -39211 -0.00034764 -0.00044764 -0.00059051 97543 2024-05-07 22:16:32,927 INFO [main.py:798]
{rank 0/64} MD step = 56400 step time: 00:00:00.154657 Performance: 67.834 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:16:39,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56400 11280 59.431 -32671 6513.8 -39185 -39185 -0.00022858 -0.00046669 -0.0006667 97743 2024-05-07 22:16:56,019 INFO [main.py:798]
{rank 0/64} MD step = 56500 step time: 00:00:00.151603 Performance: 67.846 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:17:04,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56500 11300 59.728 -32692 6546.3 -39238 -39238 -0.00053336 -0.00060003 -0.00059051 97928 2024-05-07 22:17:20,479 INFO [main.py:798]
{rank 0/64} MD step = 56600 step time: 00:00:00.147388 Performance: 67.850 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 22:17:33,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56600 11320 59.932 -32639 6568.6 -39208 -39208 -0.00026668 -0.00038097 -0.00065718 98114 2024-05-07 22:17:50,100 INFO [main.py:798]
{rank 0/64} MD step = 56700 step time: 00:00:00.157334 Performance: 67.831 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:18:09,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56700 11340 59.44 -32521 6514.7 -39036 -39036 0.00016191 -0.0004286 8.5719e-05 98306 2024-05-07 22:18:25,276 INFO [main.py:798]
{rank 0/64} MD step = 56800 step time: 00:00:00.147469 Performance: 67.785 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:18:52,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56800 11360 59.97 -32465 6572.8 -39038 -39038 -0.00010239 -0.00062861 -0.00028573 98465 2024-05-07 22:19:08,894 INFO [main.py:798]
{rank 0/64} MD step = 56900 step time: 00:00:00.152247 Performance: 67.701 ns/day 0.355 hours/ns 3.918 steps/s 2024-05-07 22:19:15,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56900 11380 60.718 -32592 6654.8 -39247 -39247 -0.00022858 -0.00040955 -0.00012382 98631 2024-05-07 22:19:31,653 INFO [main.py:798]
{rank 0/64} MD step = 57000 step time: 00:00:00.140513 Performance: 67.714 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:19:41,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57000 11400 60.374 -32486 6617 -39103 -39103 -1.9049e-05 -0.00045717 -0.00080005 98839 2024-05-07 22:19:57,590 INFO [main.py:798]
{rank 0/64} MD step = 57100 step time: 00:00:00.158688 Performance: 67.712 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:20:08,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57100 11420 59.977 -32590 6573.5 -39163 -39163 -0.00019049 -3.8097e-05 -0.00016668 98991 2024-05-07 22:20:25,361 INFO [main.py:798]
{rank 0/64} MD step = 57200 step time: 00:00:00.157751 Performance: 67.701 ns/day 0.354 hours/ns 3.918 steps/s 2024-05-07 22:20:33,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57200 11440 59.818 -32539 6556.1 -39095 -39095 -0.00043812 -0.00050479 -0.00017263 99181 2024-05-07 22:20:48,719 INFO [main.py:798]
{rank 0/64} MD step = 57300 step time: 00:00:00.165847 Performance: 67.711 ns/day 0.354 hours/ns 3.918 steps/s 2024-05-07 22:20:54,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57300 11460 59.382 -32606 6508.3 -39115 -39115 -0.00027621 -0.00024763 -0.00041907 99352 2024-05-07 22:21:13,125 INFO [main.py:798]
{rank 0/64} MD step = 57400 step time: 00:00:00.151624 Performance: 67.716 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:21:19,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57400 11480 60.645 -32574 6646.7 -39221 -39221 -0.00038097 -0.00040002 -0.00058099 99512 2024-05-07 22:21:36,020 INFO [main.py:798]
{rank 0/64} MD step = 57500 step time: 00:00:00.159969 Performance: 67.729 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:21:42,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57500 11500 59.728 -32653 6546.3 -39199 -39199 -0.00028573 -5.7146e-05 -0.00011429 99681 2024-05-07 22:21:58,851 INFO [main.py:798]
{rank 0/64} MD step = 57600 step time: 00:00:00.151149 Performance: 67.741 ns/day 0.354 hours/ns 3.920 steps/s 2024-05-07 22:22:03,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57600 11520 59.083 -32571 6475.6 -39046 -39046 -0.00030478 -0.00062861 -3.8097e-05 99884 2024-05-07 22:22:23,153 INFO [main.py:798]
{rank 0/64} MD step = 57700 step time: 00:00:00.151184 Performance: 67.746 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 22:22:43,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57700 11540 59.703 -32655 6543.5 -39199 -39199 -0.00022858 -0.00060956 -0.00051431 1.0007e+05 2024-05-07 22:22:58,796 INFO [main.py:798]
{rank 0/64} MD step = 57800 step time: 00:00:00.152121 Performance: 67.700 ns/day 0.355 hours/ns 3.918 steps/s 2024-05-07 22:23:21,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57800 11560 59.854 -32600 6560.1 -39160 -39160 -0.00025716 -0.00076195 -0.00011429 1.0023e+05 2024-05-07 22:23:37,962 INFO [main.py:798]
{rank 0/64} MD step = 57900 step time: 00:00:00.153134 Performance: 67.637 ns/day 0.355 hours/ns 3.914 steps/s 2024-05-07 22:23:45,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57900 11580 60.385 -32501 6618.2 -39120 -39120 -0.00018096 -0.00064766 -0.00015239 1.0044e+05 2024-05-07 22:24:00,895 INFO [main.py:798]
{rank 0/64} MD step = 58000 step time: 00:00:00.149111 Performance: 67.649 ns/day 0.355 hours/ns 3.915 steps/s 2024-05-07 22:24:06,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58000 11600 58.789 -32591 6443.3 -39035 -39035 -0.00022382 -0.00036193 -0.00049527 1.0062e+05 2024-05-07 22:24:23,163 INFO [main.py:798]
{rank 0/64} MD step = 58100 step time: 00:00:00.152611 Performance: 67.664 ns/day 0.355 hours/ns 3.916 steps/s 2024-05-07 22:24:32,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58100 11620 59.867 -32557 6561.5 -39118 -39118 -0.00048098 -0.00057146 -0.00017144 1.0078e+05 2024-05-07 22:24:49,130 INFO [main.py:798]
{rank 0/64} MD step = 58200 step time: 00:00:00.158442 Performance: 67.662 ns/day 0.355 hours/ns 3.916 steps/s 2024-05-07 22:24:53,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58200 11640 60.414 -32587 6621.5 -39208 -39208 -0.0003143 -0.00045717 -0.00043812 1.0093e+05 2024-05-07 22:25:11,174 INFO [main.py:798]
{rank 0/64} MD step = 58300 step time: 00:00:00.157085 Performance: 67.678 ns/day 0.355 hours/ns 3.917 steps/s 2024-05-07 22:25:16,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58300 11660 59.563 -32730 6528.2 -39258 -39258 -0.00041907 -0.00059051 -0.0003905 1.0111e+05 2024-05-07 22:25:32,526 INFO [main.py:798]
{rank 0/64} MD step = 58400 step time: 00:00:00.156363 Performance: 67.697 ns/day 0.355 hours/ns 3.918 steps/s 2024-05-07 22:25:38,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58400 11680 59.396 -32751 6509.8 -39261 -39261 -0.00028573 -0.00064289 -0.00053336 1.0128e+05 2024-05-07 22:25:54,749 INFO [main.py:798]
{rank 0/64} MD step = 58500 step time: 00:00:00.158252 Performance: 67.712 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:26:01,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58500 11700 60.746 -32471 6657.9 -39129 -39129 -0.00034288 -0.00057146 -0.00032383 1.0148e+05 2024-05-07 22:26:17,605 INFO [main.py:798]
{rank 0/64} MD step = 58600 step time: 00:00:00.156012 Performance: 67.724 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:26:24,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58600 11720 59.451 -32533 6515.9 -39049 -39049 -0.00059051 -0.0005286 -0.00055241 1.0168e+05 2024-05-07 22:26:42,307 INFO [main.py:798]
{rank 0/64} MD step = 58700 step time: 00:00:00.167719 Performance: 67.728 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:26:53,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58700 11740 59.104 -32730 6477.9 -39208 -39208 -0.00034288 -0.00026668 -0.00064766 1.0183e+05 2024-05-07 22:27:09,255 INFO [main.py:798]
{rank 0/64} MD step = 58800 step time: 00:00:00.161954 Performance: 67.722 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:27:21,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58800 11760 59.119 -32714 6479.5 -39193 -39193 -0.00032383 -0.00034288 -0.00040002 1.0202e+05 2024-05-07 22:27:39,683 INFO [main.py:798]
{rank 0/64} MD step = 58900 step time: 00:00:00.156856 Performance: 67.699 ns/day 0.355 hours/ns 3.918 steps/s 2024-05-07 22:27:55,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58900 11780 60.641 -32431 6646.3 -39078 -39078 -0.00036193 -0.00047622 -0.00057146 1.0222e+05 2024-05-07 22:28:10,954 INFO [main.py:798]
{rank 0/64} MD step = 59000 step time: 00:00:00.168809 Performance: 67.674 ns/day 0.355 hours/ns 3.916 steps/s 2024-05-07 22:28:16,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59000 11800 61.121 -32473 6698.9 -39172 -39172 -0.00030478 -0.00047622 -0.00040955 1.0238e+05 2024-05-07 22:28:32,219 INFO [main.py:798]
{rank 0/64} MD step = 59100 step time: 00:00:00.157158 Performance: 67.693 ns/day 0.355 hours/ns 3.917 steps/s 2024-05-07 22:28:37,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59100 11820 59.984 -32614 6574.3 -39189 -39189 -0.00013334 -0.00076195 -0.00051431 1.0256e+05 2024-05-07 22:28:53,405 INFO [main.py:798]
{rank 0/64} MD step = 59200 step time: 00:00:00.159425 Performance: 67.712 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-07 22:28:59,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59200 11840 60.923 -32388 6677.2 -39065 -39065 1.9049e-05 -0.00026668 -0.00014287 1.0278e+05 2024-05-07 22:29:14,356 INFO [main.py:798]
{rank 0/64} MD step = 59300 step time: 00:00:00.149201 Performance: 67.733 ns/day 0.354 hours/ns 3.920 steps/s 2024-05-07 22:29:18,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59300 11860 59.821 -32474 6556.5 -39031 -39031 -0.00020715 -0.00055717 -7.6195e-05 1.0292e+05 2024-05-07 22:29:36,126 INFO [main.py:798]
{rank 0/64} MD step = 59400 step time: 00:00:00.157305 Performance: 67.749 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 22:29:42,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59400 11880 60.908 -32593 6675.6 -39268 -39268 -0.00049527 -0.00044764 -0.00022858 1.0305e+05 2024-05-07 22:29:58,066 INFO [main.py:798]
{rank 0/64} MD step = 59500 step time: 00:00:00.159856 Performance: 67.765 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 22:30:03,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59500 11900 61.056 -32410 6691.8 -39102 -39102 -0.00028573 -0.00013334 -0.00072385 1.0324e+05 2024-05-07 22:30:19,769 INFO [main.py:798]
{rank 0/64} MD step = 59600 step time: 00:00:00.159775 Performance: 67.782 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:30:25,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59600 11920 60.457 -32551 6626.2 -39177 -39177 0.00014287 -0.00044764 -0.00067623 1.0342e+05 2024-05-07 22:30:42,672 INFO [main.py:798]
{rank 0/64} MD step = 59700 step time: 00:00:00.164406 Performance: 67.794 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:30:49,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59700 11940 60.563 -32608 6637.7 -39246 -39246 -0.00026192 -0.00049527 -0.00061432 1.0359e+05 2024-05-07 22:31:05,236 INFO [main.py:798]
{rank 0/64} MD step = 59800 step time: 00:00:00.165568 Performance: 67.807 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:31:09,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59800 11960 60.082 -32504 6585 -39089 -39089 -0.00030478 -0.00038097 -0.00048574 1.0377e+05 2024-05-07 22:31:27,130 INFO [main.py:798]
{rank 0/64} MD step = 59900 step time: 00:00:00.159900 Performance: 67.823 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:31:43,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59900 11980 60.232 -32394 6601.5 -38996 -38996 -0.00038097 -9.5243e-06 -0.00041907 1.0397e+05 2024-05-07 22:31:58,712 INFO [main.py:798]
{rank 0/64} MD step = 60000 step time: 00:00:00.142517 Performance: 67.796 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:32:13,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60000 12000 60.313 -32590 6610.4 -39201 -39201 0.00016191 -0.00072385 9.5243e-06 1.041e+05 2024-05-07 22:32:29,423 INFO [main.py:798]
{rank 0/64} MD step = 60100 step time: 00:00:00.148406 Performance: 67.773 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 22:32:35,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60100 12020 60.224 -32544 6600.6 -39144 -39144 -0.00019049 -0.00038097 -0.00085719 1.043e+05 2024-05-07 22:32:51,756 INFO [main.py:798]
{rank 0/64} MD step = 60200 step time: 00:00:00.153440 Performance: 67.786 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:32:58,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60200 12040 60.083 -32486 6585.2 -39071 -39071 -0.00028573 -0.00055241 -0.00028573 1.0448e+05 2024-05-07 22:33:13,436 INFO [main.py:798]
{rank 0/64} MD step = 60300 step time: 00:00:00.141586 Performance: 67.803 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:33:26,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60300 12060 59.489 -32439 6520 -38959 -38959 -0.00038097 -0.00053336 -5.7146e-05 1.0467e+05 2024-05-07 22:33:42,749 INFO [main.py:798]
{rank 0/64} MD step = 60400 step time: 00:00:00.155125 Performance: 67.786 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:33:47,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60400 12080 60.002 -32515 6576.3 -39091 -39091 -0.00011429 -0.00053336 -0.00032383 1.0481e+05 2024-05-07 22:34:04,010 INFO [main.py:798]
{rank 0/64} MD step = 60500 step time: 00:00:00.159712 Performance: 67.805 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:34:08,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60500 12100 58.718 -32737 6435.6 -39172 -39172 -0.00045717 -0.00038097 -0.00076195 1.0497e+05 2024-05-07 22:34:26,577 INFO [main.py:798]
{rank 0/64} MD step = 60600 step time: 00:00:00.153241 Performance: 67.818 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:34:33,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60600 12120 60.306 -32539 6609.6 -39148 -39148 -0.00022858 -0.00065718 -0.00077623 1.0515e+05 2024-05-07 22:34:49,990 INFO [main.py:798]
{rank 0/64} MD step = 60700 step time: 00:00:00.155217 Performance: 67.827 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:34:56,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60700 12140 60.092 -32519 6586.1 -39105 -39105 -0.00028335 -0.00046193 -0.00053336 1.0537e+05 2024-05-07 22:35:12,214 INFO [main.py:798]
{rank 0/64} MD step = 60800 step time: 00:00:00.159650 Performance: 67.841 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:35:18,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60800 12160 59.619 -32595 6534.3 -39129 -39129 -0.00050479 -0.00040002 -0.00050479 1.0552e+05 2024-05-07 22:35:35,111 INFO [main.py:798]
{rank 0/64} MD step = 60900 step time: 00:00:00.158964 Performance: 67.852 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 22:35:40,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60900 12180 59.328 -32582 6502.4 -39085 -39085 -0.00049527 -0.00036193 -0.00028573 1.0568e+05 2024-05-07 22:35:56,806 INFO [main.py:798]
{rank 0/64} MD step = 61000 step time: 00:00:00.147384 Performance: 67.869 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 22:36:23,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61000 12200 60.242 -32530 6602.6 -39133 -39133 -0.00038097 -0.00060003 -0.00015239 1.059e+05 2024-05-07 22:36:38,854 INFO [main.py:798]
{rank 0/64} MD step = 61100 step time: 00:00:00.151987 Performance: 67.797 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:37:00,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61100 12220 59.755 -32706 6549.3 -39256 -39256 -0.0005667 -0.00047622 -0.00045717 1.0606e+05 2024-05-07 22:37:15,704 INFO [main.py:798]
{rank 0/64} MD step = 61200 step time: 00:00:00.152012 Performance: 67.747 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 22:37:20,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61200 12240 60.617 -32512 6643.7 -39156 -39156 -0.00033335 -0.00049527 -0.00050003 1.0626e+05 2024-05-07 22:37:36,365 INFO [main.py:798]
{rank 0/64} MD step = 61300 step time: 00:00:00.157558 Performance: 67.768 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 22:37:42,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61300 12260 59.983 -32585 6574.2 -39159 -39159 -0.00023335 -0.00041907 -0.00037145 1.0644e+05 2024-05-07 22:37:58,644 INFO [main.py:798]
{rank 0/64} MD step = 61400 step time: 00:00:00.171332 Performance: 67.782 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:38:04,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61400 12280 59.399 -32633 6510.2 -39143 -39143 0.00020954 -0.00011429 -0.00034288 1.0663e+05 2024-05-07 22:38:20,722 INFO [main.py:798]
{rank 0/64} MD step = 61500 step time: 00:00:00.168305 Performance: 67.797 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:38:26,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61500 12300 60.425 -32562 6622.6 -39185 -39185 7.6195e-05 -0.00036193 -6.667e-05 1.068e+05 2024-05-07 22:38:41,864 INFO [main.py:798]
{rank 0/64} MD step = 61600 step time: 00:00:00.158782 Performance: 67.816 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:38:49,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61600 12320 59.793 -32519 6553.4 -39072 -39072 -3.8097e-05 -0.00068575 -0.00081909 1.07e+05 2024-05-07 22:39:05,845 INFO [main.py:798]
{rank 0/64} MD step = 61700 step time: 00:00:00.157789 Performance: 67.822 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:39:10,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61700 12340 60.07 -32530 6583.7 -39113 -39113 -0.00025716 -0.00059051 -0.0006667 1.0717e+05 2024-05-07 22:39:27,608 INFO [main.py:798]
{rank 0/64} MD step = 61800 step time: 00:00:00.160639 Performance: 67.838 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:39:33,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61800 12360 59.81 -32671 6555.2 -39226 -39226 -0.00033335 -0.00051431 -0.00067623 1.0737e+05 2024-05-07 22:39:49,494 INFO [main.py:798]
{rank 0/64} MD step = 61900 step time: 00:00:00.163848 Performance: 67.854 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 22:39:54,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61900 12380 59.446 -32498 6515.4 -39013 -39013 -0.00039526 -0.00044764 -0.00072385 1.0757e+05 2024-05-07 22:40:10,418 INFO [main.py:798]
{rank 0/64} MD step = 62000 step time: 00:00:00.159962 Performance: 67.873 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 22:40:18,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62000 12400 59.69 -32604 6542.1 -39146 -39146 -0.00045717 -0.00047622 0.00017144 1.0774e+05 2024-05-07 22:40:33,537 INFO [main.py:798]
{rank 0/64} MD step = 62100 step time: 00:00:00.160344 Performance: 67.883 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 22:40:47,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62100 12420 60.88 -32430 6672.5 -39103 -39103 0.00020477 -0.00054289 -0.00038097 1.0792e+05 2024-05-07 22:41:03,030 INFO [main.py:798]
{rank 0/64} MD step = 62200 step time: 00:00:00.158094 Performance: 67.866 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 22:41:18,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62200 12440 59.912 -32593 6566.5 -39159 -39159 -0.00033335 -0.00062861 -0.00038097 1.081e+05 2024-05-07 22:41:33,702 INFO [main.py:798]
{rank 0/64} MD step = 62300 step time: 00:00:00.168829 Performance: 67.844 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:41:44,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62300 12460 59.255 -32608 6494.4 -39103 -39103 -0.00036193 -0.00071433 -0.0004286 1.0828e+05 2024-05-07 22:41:59,313 INFO [main.py:798]
{rank 0/64} MD step = 62400 step time: 00:00:00.154757 Performance: 67.843 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:42:06,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62400 12480 60.174 -32384 6595.1 -38979 -38979 -0.00028573 8.5719e-05 -0.00030478 1.0849e+05 2024-05-07 22:42:21,556 INFO [main.py:798]
{rank 0/64} MD step = 62500 step time: 00:00:00.142685 Performance: 67.857 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 22:42:28,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62500 12500 60.016 -32693 6577.9 -39271 -39271 -0.00057146 -0.00033335 -0.00064766 1.0862e+05 2024-05-07 22:42:44,248 INFO [main.py:798]
{rank 0/64} MD step = 62600 step time: 00:00:00.140781 Performance: 67.869 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 22:42:50,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62600 12520 60.863 -32579 6670.6 -39250 -39250 -0.00020954 -0.00048098 -0.00011429 1.0878e+05 2024-05-07 22:43:06,161 INFO [main.py:798]
{rank 0/64} MD step = 62700 step time: 00:00:00.145292 Performance: 67.884 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 22:43:10,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62700 12540 59.181 -32673 6486.3 -39159 -39159 -0.00028573 -0.00049527 -0.00055241 1.0896e+05 2024-05-07 22:43:28,096 INFO [main.py:798]
{rank 0/64} MD step = 62800 step time: 00:00:00.146796 Performance: 67.899 ns/day 0.353 hours/ns 3.929 steps/s 2024-05-07 22:43:33,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62800 12560 59.182 -32692 6486.5 -39178 -39178 -0.00036193 -0.0004286 -7.1433e-05 1.0915e+05 2024-05-07 22:43:49,679 INFO [main.py:798]
{rank 0/64} MD step = 62900 step time: 00:00:00.149983 Performance: 67.915 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 22:43:53,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62900 12580 60.52 -32546 6633 -39179 -39179 -0.00022382 -0.00052384 -0.00040955 1.0929e+05 2024-05-07 22:44:12,001 INFO [main.py:798]
{rank 0/64} MD step = 63000 step time: 00:00:00.149877 Performance: 67.928 ns/day 0.353 hours/ns 3.931 steps/s 2024-05-07 22:44:17,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63000 12600 60.118 -32506 6589 -39095 -39095 -0.00047622 -0.00057146 -0.00041907 1.0948e+05 2024-05-07 22:44:33,516 INFO [main.py:798]
{rank 0/64} MD step = 63100 step time: 00:00:00.147784 Performance: 67.945 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 22:44:38,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63100 12620 60.074 -32464 6584.2 -39048 -39048 -0.00017144 -0.00032383 0 1.0966e+05 2024-05-07 22:44:54,147 INFO [main.py:798]
{rank 0/64} MD step = 63200 step time: 00:00:00.153711 Performance: 67.965 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 22:45:00,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63200 12640 59.246 -32719 6493.5 -39213 -39213 -0.00036193 -0.00045717 -0.00015239 1.0984e+05 2024-05-07 22:45:16,095 INFO [main.py:798]
{rank 0/64} MD step = 63300 step time: 00:00:00.147108 Performance: 67.980 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-07 22:45:32,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63300 12660 59.691 -32641 6542.2 -39184 -39184 -0.00033811 -0.00040002 -0.00047622 1.1004e+05 2024-05-07 22:45:48,747 INFO [main.py:798]
{rank 0/64} MD step = 63400 step time: 00:00:00.145504 Performance: 67.949 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 22:46:00,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63400 12680 60.788 -32531 6662.5 -39194 -39194 -0.00014287 -0.00043812 -0.00048098 1.102e+05 2024-05-07 22:46:21,760 INFO [main.py:798]
{rank 0/64} MD step = 63500 step time: 00:00:00.160756 Performance: 67.918 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 22:46:27,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63500 12700 59.693 -32725 6542.4 -39268 -39268 -0.00021906 -0.00046669 -0.00040478 1.1036e+05 2024-05-07 22:46:43,626 INFO [main.py:798]
{rank 0/64} MD step = 63600 step time: 00:00:00.163252 Performance: 67.933 ns/day 0.353 hours/ns 3.931 steps/s 2024-05-07 22:46:48,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63600 12720 59.976 -32685 6573.5 -39258 -39258 3.8097e-05 -0.00056194 -0.00053336 1.1056e+05 2024-05-07 22:47:05,195 INFO [main.py:798]
{rank 0/64} MD step = 63700 step time: 00:00:00.167183 Performance: 67.949 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 22:47:10,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63700 12740 60.023 -32469 6578.5 -39047 -39047 -9.5243e-05 -0.00049527 -0.00058099 1.1074e+05 2024-05-07 22:47:26,829 INFO [main.py:798]
{rank 0/64} MD step = 63800 step time: 00:00:00.160291 Performance: 67.965 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 22:47:33,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63800 12760 59.894 -32528 6564.5 -39092 -39092 -0.00034288 -0.00019049 -0.00053336 1.1089e+05 2024-05-07 22:47:49,542 INFO [main.py:798]
{rank 0/64} MD step = 63900 step time: 00:00:00.158487 Performance: 67.976 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-07 22:47:56,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63900 12780 60.369 -32515 6616.5 -39132 -39132 -0.00026668 -0.00039526 -0.00047622 1.1106e+05 2024-05-07 22:48:12,058 INFO [main.py:798]
{rank 0/64} MD step = 64000 step time: 00:00:00.148902 Performance: 67.988 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-07 22:48:26,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64000 12800 60.083 -32520 6585.2 -39105 -39105 -0.00036669 -0.00032859 -0.00057146 1.1122e+05 2024-05-07 22:48:42,543 INFO [main.py:798]
{rank 0/64} MD step = 64100 step time: 00:00:00.152421 Performance: 67.967 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 22:48:50,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64100 12820 59.679 -32475 6540.8 -39016 -39016 -0.00041907 -0.00055241 -0.00014287 1.1141e+05 2024-05-07 22:49:07,167 INFO [main.py:798]
{rank 0/64} MD step = 64200 step time: 00:00:00.166229 Performance: 67.970 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 22:49:11,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64200 12840 60.099 -32604 6586.9 -39190 -39190 -0.00045717 -0.00051431 -0.00059051 1.1157e+05 2024-05-07 22:49:29,391 INFO [main.py:798]
{rank 0/64} MD step = 64300 step time: 00:00:00.165335 Performance: 67.984 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-07 22:49:34,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64300 12860 59.239 -32649 6492.7 -39142 -39142 -0.00022858 -0.00032383 -0.00026668 1.1171e+05 2024-05-07 22:49:50,638 INFO [main.py:798]
{rank 0/64} MD step = 64400 step time: 00:00:00.172384 Performance: 68.001 ns/day 0.353 hours/ns 3.935 steps/s 2024-05-07 22:50:07,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64400 12880 60.27 -32485 6605.7 -39090 -39090 0.00017144 -0.00043812 -0.00054289 1.119e+05 2024-05-07 22:50:23,779 INFO [main.py:798]
{rank 0/64} MD step = 64500 step time: 00:00:00.141300 Performance: 67.969 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 22:50:45,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64500 12900 61.081 -32550 6694.6 -39245 -39245 -0.00045717 -0.00032383 -0.00049527 1.1205e+05 2024-05-07 22:51:01,511 INFO [main.py:798]
{rank 0/64} MD step = 64600 step time: 00:00:00.165606 Performance: 67.918 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 22:51:06,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64600 12920 60.279 -32546 6606.6 -39152 -39152 -0.00041431 -0.00060956 -0.00073337 1.1227e+05 2024-05-07 22:51:22,257 INFO [main.py:798]
{rank 0/64} MD step = 64700 step time: 00:00:00.169672 Performance: 67.937 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 22:51:27,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64700 12940 59.864 -32619 6561.2 -39180 -39180 -0.00023811 -0.00034288 -0.00047622 1.1244e+05 2024-05-07 22:51:42,999 INFO [main.py:798]
{rank 0/64} MD step = 64800 step time: 00:00:00.151690 Performance: 67.957 ns/day 0.353 hours/ns 3.933 steps/s 2024-05-07 22:51:55,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64800 12960 59.971 -32539 6572.8 -39112 -39112 -0.00041431 -0.0007048 -9.5243e-05 1.1263e+05 2024-05-07 22:52:12,798 INFO [main.py:798]
{rank 0/64} MD step = 64900 step time: 00:00:00.154744 Performance: 67.939 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 22:52:31,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64900 12980 60.031 -32553 6579.5 -39133 -39133 -0.00061908 -0.00050003 -0.000781 1.1282e+05 2024-05-07 22:52:46,708 INFO [main.py:798]
{rank 0/64} MD step = 65000 step time: 00:00:00.157681 Performance: 67.904 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 22:52:53,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65000 13000 59.229 -32619 6491.6 -39111 -39111 -0.00026668 -0.00065956 -0.00064766 1.1299e+05 2024-05-07 22:53:09,036 INFO [main.py:798]
{rank 0/64} MD step = 65100 step time: 00:00:00.166684 Performance: 67.917 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 22:53:13,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65100 13020 60.099 -32471 6586.9 -39058 -39058 -0.00025954 -0.00030478 -0.00018096 1.1317e+05 2024-05-07 22:53:29,052 INFO [main.py:798]
{rank 0/64} MD step = 65200 step time: 00:00:00.160107 Performance: 67.939 ns/day 0.353 hours/ns 3.932 steps/s 2024-05-07 22:53:40,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65200 13040 59.463 -32654 6517.2 -39172 -39172 -0.00047622 -0.00057146 -0.00057146 1.1332e+05 2024-05-07 22:53:56,111 INFO [main.py:798]
{rank 0/64} MD step = 65300 step time: 00:00:00.173248 Performance: 67.932 ns/day 0.353 hours/ns 3.931 steps/s 2024-05-07 22:54:08,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65300 13060 58.96 -32652 6462.1 -39114 -39114 -0.00030478 -0.00057146 -0.00036669 1.1352e+05 2024-05-07 22:54:23,823 INFO [main.py:798]
{rank 0/64} MD step = 65400 step time: 00:00:00.179183 Performance: 67.923 ns/day 0.353 hours/ns 3.931 steps/s 2024-05-07 22:54:51,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65400 13080 59.39 -32586 6509.3 -39096 -39096 -0.00040002 -0.00036193 -0.00051431 1.1368e+05 2024-05-07 22:55:07,461 INFO [main.py:798]
{rank 0/64} MD step = 65500 step time: 00:00:00.157652 Performance: 67.849 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:55:29,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65500 13100 59.989 -32630 6574.8 -39205 -39205 -0.00030478 -0.00068575 -0.00062861 1.1385e+05 2024-05-07 22:55:44,952 INFO [main.py:798]
{rank 0/64} MD step = 65600 step time: 00:00:00.165587 Performance: 67.800 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:55:54,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65600 13120 61.029 -32526 6688.9 -39215 -39215 -0.00041431 -0.00063813 -0.00020477 1.1402e+05 2024-05-07 22:56:10,076 INFO [main.py:798]
{rank 0/64} MD step = 65700 step time: 00:00:00.146192 Performance: 67.802 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:56:24,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65700 13140 60.137 -32546 6591.1 -39137 -39137 -0.00036193 -0.0003905 -0.00032383 1.1424e+05 2024-05-07 22:56:39,973 INFO [main.py:798]
{rank 0/64} MD step = 65800 step time: 00:00:00.149634 Performance: 67.784 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:56:46,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65800 13160 60.8 -32457 6663.8 -39120 -39120 -0.00045717 -0.00059051 -0.00040955 1.1441e+05 2024-05-07 22:57:02,729 INFO [main.py:798]
{rank 0/64} MD step = 65900 step time: 00:00:00.154397 Performance: 67.795 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 22:57:08,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65900 13180 59.873 -32509 6562.2 -39072 -39072 -0.00045003 -0.00040002 -0.00038097 1.146e+05 2024-05-07 22:57:24,076 INFO [main.py:798]
{rank 0/64} MD step = 66000 step time: 00:00:00.149921 Performance: 67.812 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 22:57:31,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66000 13200 60.513 -32478 6632.3 -39110 -39110 -0.00029049 -0.00041907 -0.00021906 1.1478e+05 2024-05-07 22:57:47,456 INFO [main.py:798]
{rank 0/64} MD step = 66100 step time: 00:00:00.153638 Performance: 67.820 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:57:53,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66100 13220 60.386 -32480 6618.3 -39098 -39098 -0.00011429 -0.00026668 -0.0003524 1.1494e+05 2024-05-07 22:58:08,694 INFO [main.py:798]
{rank 0/64} MD step = 66200 step time: 00:00:00.158175 Performance: 67.837 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:58:15,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66200 13240 59.35 -32786 6504.9 -39291 -39291 -0.00048574 -0.00045717 -0.00013334 1.1508e+05 2024-05-07 22:58:31,106 INFO [main.py:798]
{rank 0/64} MD step = 66300 step time: 00:00:00.161746 Performance: 67.849 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 22:58:37,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66300 13260 60.199 -32623 6597.8 -39221 -39221 -0.00026668 -0.00024763 -0.00071433 1.1526e+05 2024-05-07 22:58:53,443 INFO [main.py:798]
{rank 0/64} MD step = 66400 step time: 00:00:00.155654 Performance: 67.862 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 22:59:13,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66400 13280 60.699 -32462 6652.7 -39114 -39114 -0.00038097 -0.00034288 -0.0003905 1.1544e+05 2024-05-07 22:59:29,100 INFO [main.py:798]
{rank 0/64} MD step = 66500 step time: 00:00:00.163859 Performance: 67.821 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 22:59:45,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66500 13300 59.864 -32670 6561.2 -39231 -39231 -0.00040002 -0.00047622 -1.9049e-05 1.156e+05 2024-05-07 23:00:01,326 INFO [main.py:798]
{rank 0/64} MD step = 66600 step time: 00:00:00.154538 Performance: 67.794 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 23:00:06,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66600 13320 59.596 -32684 6531.8 -39216 -39216 -0.00030002 -0.00038097 6.667e-05 1.158e+05 2024-05-07 23:00:23,129 INFO [main.py:798]
{rank 0/64} MD step = 66700 step time: 00:00:00.157160 Performance: 67.809 ns/day 0.354 hours/ns 3.924 steps/s 2024-05-07 23:00:30,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66700 13340 59.62 -32629 6534.4 -39163 -39163 -0.00039526 -0.00050479 -0.00059051 1.1596e+05 2024-05-07 23:00:46,306 INFO [main.py:798]
{rank 0/64} MD step = 66800 step time: 00:00:00.157265 Performance: 67.818 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 23:00:51,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66800 13360 60.295 -32563 6608.4 -39172 -39172 -0.00038097 -0.00030478 -0.00034288 1.1614e+05 2024-05-07 23:01:07,490 INFO [main.py:798]
{rank 0/64} MD step = 66900 step time: 00:00:00.154768 Performance: 67.835 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 23:01:13,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66900 13380 59.918 -32691 6567.1 -39258 -39258 -0.00044764 -0.00020954 -1.9049e-05 1.163e+05 2024-05-07 23:01:29,229 INFO [main.py:798]
{rank 0/64} MD step = 67000 step time: 00:00:00.159299 Performance: 67.850 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 23:01:34,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67000 13400 60.595 -32546 6641.3 -39187 -39187 -0.00026668 -0.00041907 -0.00057146 1.1647e+05 2024-05-07 23:01:51,502 INFO [main.py:798]
{rank 0/64} MD step = 67100 step time: 00:00:00.161661 Performance: 67.863 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 23:01:56,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67100 13420 60.192 -32548 6597.2 -39145 -39145 -0.00019049 -0.00065242 -7.6195e-05 1.1665e+05 2024-05-07 23:02:12,491 INFO [main.py:798]
{rank 0/64} MD step = 67200 step time: 00:00:00.156258 Performance: 67.880 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 23:02:17,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67200 13440 59.79 -32536 6553.1 -39089 -39089 6.1908e-05 7.6195e-05 -0.00022858 1.1684e+05 2024-05-07 23:02:33,422 INFO [main.py:798]
{rank 0/64} MD step = 67300 step time: 00:00:00.158396 Performance: 67.898 ns/day 0.353 hours/ns 3.929 steps/s 2024-05-07 23:02:38,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67300 13460 60.218 -32543 6600 -39143 -39143 -0.00026668 -0.00046669 -0.00044764 1.1698e+05 2024-05-07 23:02:55,572 INFO [main.py:798]
{rank 0/64} MD step = 67400 step time: 00:00:00.177053 Performance: 67.911 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 23:03:03,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67400 13480 59.892 -32570 6564.2 -39134 -39134 -0.00043812 -0.00023811 -3.8097e-05 1.1717e+05 2024-05-07 23:03:19,868 INFO [main.py:798]
{rank 0/64} MD step = 67500 step time: 00:00:00.146998 Performance: 67.916 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 23:03:29,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67500 13500 58.866 -32628 6451.8 -39080 -39080 -0.00029525 -0.00064766 -0.00064766 1.1736e+05 2024-05-07 23:03:45,230 INFO [main.py:798]
{rank 0/64} MD step = 67600 step time: 00:00:00.149644 Performance: 67.916 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-07 23:04:04,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67600 13520 59.957 -32522 6571.4 -39093 -39093 -0.00043812 -0.00057146 -0.00045717 1.1751e+05 2024-05-07 23:04:19,465 INFO [main.py:798]
{rank 0/64} MD step = 67700 step time: 00:00:00.158558 Performance: 67.882 ns/day 0.354 hours/ns 3.928 steps/s 2024-05-07 23:04:36,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67700 13540 59.532 -32516 6524.8 -39041 -39041 -0.00053574 8.5719e-05 -0.00064766 1.1768e+05 2024-05-07 23:04:52,792 INFO [main.py:798]
{rank 0/64} MD step = 67800 step time: 00:00:00.159567 Performance: 67.851 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 23:05:00,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67800 13560 59.643 -32661 6537 -39198 -39198 0.00023811 -0.00054289 -0.00041907 1.1783e+05 2024-05-07 23:05:17,012 INFO [main.py:798]
{rank 0/64} MD step = 67900 step time: 00:00:00.201037 Performance: 67.856 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 23:05:29,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67900 13580 60.866 -32388 6671 -39059 -39059 -0.00038097 -0.00046193 -0.00018096 1.1803e+05 2024-05-07 23:05:45,782 INFO [main.py:798]
{rank 0/64} MD step = 68000 step time: 00:00:00.151059 Performance: 67.843 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 23:05:53,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68000 13600 60.011 -32676 6577.3 -39253 -39253 1.9049e-05 -0.00047622 -0.00019049 1.1819e+05 2024-05-07 23:06:10,254 INFO [main.py:798]
{rank 0/64} MD step = 68100 step time: 00:00:00.138348 Performance: 67.847 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 23:06:20,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68100 13620 59.764 -32559 6550.2 -39109 -39109 -0.00019049 -0.00020954 -0.00014287 1.1833e+05 2024-05-07 23:06:34,736 INFO [main.py:798]
{rank 0/64} MD step = 68200 step time: 00:00:00.136049 Performance: 67.850 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-07 23:06:46,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68200 13640 59.356 -32683 6505.5 -39189 -39189 -0.00022858 -0.00045717 -3.8097e-05 1.1851e+05 2024-05-07 23:07:02,316 INFO [main.py:798]
{rank 0/64} MD step = 68300 step time: 00:00:00.154522 Performance: 67.842 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 23:07:15,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68300 13660 59.577 -32564 6529.7 -39094 -39094 -0.00015239 -0.00072385 9.5243e-05 1.1871e+05 2024-05-07 23:07:30,461 INFO [main.py:798]
{rank 0/64} MD step = 68400 step time: 00:00:00.158689 Performance: 67.832 ns/day 0.354 hours/ns 3.925 steps/s 2024-05-07 23:07:37,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68400 13680 60.298 -32506 6608.8 -39115 -39115 -0.00015239 -0.00044764 -0.00068099 1.1889e+05 2024-05-07 23:07:52,985 INFO [main.py:798]
{rank 0/64} MD step = 68500 step time: 00:00:00.155148 Performance: 67.843 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 23:08:03,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68500 13700 59.514 -32661 6522.8 -39183 -39183 -9.5243e-05 -0.00040002 -0.00032383 1.1904e+05 2024-05-07 23:08:18,920 INFO [main.py:798]
{rank 0/64} MD step = 68600 step time: 00:00:00.153408 Performance: 67.841 ns/day 0.354 hours/ns 3.926 steps/s 2024-05-07 23:08:41,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68600 13720 59.052 -32659 6472.2 -39131 -39131 -0.00053336 -0.00041907 -0.00058099 1.192e+05 2024-05-07 23:08:57,476 INFO [main.py:798]
{rank 0/64} MD step = 68700 step time: 00:00:00.134711 Performance: 67.791 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-07 23:09:13,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68700 13740 60.65 -32418 6647.3 -39065 -39065 -0.00040955 -0.00047622 -0.00015239 1.194e+05 2024-05-07 23:09:29,276 INFO [main.py:798]
{rank 0/64} MD step = 68800 step time: 00:00:00.154834 Performance: 67.766 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 23:09:35,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68800 13760 58.948 -32734 6460.8 -39194 -39194 -0.00030478 -0.00045717 -0.00022858 1.1957e+05 2024-05-07 23:09:51,424 INFO [main.py:798]
{rank 0/64} MD step = 68900 step time: 00:00:00.142009 Performance: 67.779 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 23:10:05,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68900 13780 60.295 -32610 6608.4 -39219 -39219 -0.00012382 -0.00048574 -0.00053336 1.1972e+05 2024-05-07 23:10:21,609 INFO [main.py:798]
{rank 0/64} MD step = 69000 step time: 00:00:00.142161 Performance: 67.761 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:10:27,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69000 13800 60.387 -32550 6618.4 -39169 -39169 0.00022858 -0.00056194 1.9049e-05 1.1991e+05 2024-05-07 23:10:45,103 INFO [main.py:798]
{rank 0/64} MD step = 69100 step time: 00:00:00.146813 Performance: 67.769 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 23:10:52,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69100 13820 59.981 -32543 6574 -39117 -39117 -0.00020954 -0.00040002 -0.00073337 1.2008e+05 2024-05-07 23:11:08,295 INFO [main.py:798]
{rank 0/64} MD step = 69200 step time: 00:00:00.142116 Performance: 67.778 ns/day 0.354 hours/ns 3.922 steps/s 2024-05-07 23:11:22,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69200 13840 59.989 -32630 6574.8 -39205 -39205 -0.00021906 -0.00048574 -0.00061908 1.2024e+05 2024-05-07 23:11:38,433 INFO [main.py:798]
{rank 0/64} MD step = 69300 step time: 00:00:00.147497 Performance: 67.760 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:11:47,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69300 13860 59.426 -32767 6513.2 -39280 -39280 -0.00030478 -0.00041907 -0.00068575 1.204e+05 2024-05-07 23:12:03,321 INFO [main.py:798]
{rank 0/64} MD step = 69400 step time: 00:00:00.143419 Performance: 67.762 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:12:12,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69400 13880 59.66 -32552 6538.8 -39091 -39091 -0.00045717 -0.00060956 -0.00022858 1.2058e+05 2024-05-07 23:12:30,243 INFO [main.py:798]
{rank 0/64} MD step = 69500 step time: 00:00:00.151331 Performance: 67.757 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:12:42,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69500 13900 60.005 -32592 6576.6 -39168 -39168 -0.00032383 1.9049e-05 -0.00060956 1.2074e+05 2024-05-07 23:12:57,801 INFO [main.py:798]
{rank 0/64} MD step = 69600 step time: 00:00:00.145746 Performance: 67.749 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:13:06,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69600 13920 59.867 -32680 6561.5 -39241 -39241 -7.1433e-05 -0.00046669 -0.00063813 1.2091e+05 2024-05-07 23:13:22,032 INFO [main.py:798]
{rank 0/64} MD step = 69700 step time: 00:00:00.147977 Performance: 67.754 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:13:32,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69700 13940 59.452 -32590 6516 -39106 -39106 -0.00040955 -0.00045717 -0.00058099 1.2107e+05 2024-05-07 23:13:47,670 INFO [main.py:798]
{rank 0/64} MD step = 69800 step time: 00:00:00.151642 Performance: 67.753 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:13:59,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69800 13960 61.261 -32405 6714.3 -39119 -39119 -0.00034288 -0.00030478 -0.00015239 1.2126e+05 2024-05-07 23:14:14,272 INFO [main.py:798]
{rank 0/64} MD step = 69900 step time: 00:00:00.151553 Performance: 67.749 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:14:21,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69900 13980 59.193 -32688 6487.6 -39176 -39176 -0.00033335 -0.00049527 -0.00055241 1.2141e+05 2024-05-07 23:14:38,941 INFO [main.py:798]
{rank 0/64} MD step = 70000 step time: 00:00:00.153326 Performance: 67.752 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:14:51,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70000 14000 59.922 -32639 6567.5 -39206 -39206 -0.00040002 -0.00023811 -0.00020954 1.2157e+05 2024-05-07 23:15:05,792 INFO [main.py:798]
{rank 0/64} MD step = 70100 step time: 00:00:00.152927 Performance: 67.747 ns/day 0.354 hours/ns 3.921 steps/s 2024-05-07 23:15:30,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70100 14020 60.397 -32505 6619.6 -39124 -39124 -0.00025716 -0.00040955 2.8573e-05 1.2178e+05 2024-05-07 23:15:46,825 INFO [main.py:798]
{rank 0/64} MD step = 70200 step time: 00:00:00.160160 Performance: 67.689 ns/day 0.355 hours/ns 3.917 steps/s 2024-05-07 23:16:07,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70200 14040 60.174 -32627 6595.2 -39222 -39222 -0.00053336 -0.00048098 -0.00060956 1.2193e+05 2024-05-07 23:16:22,382 INFO [main.py:798]
{rank 0/64} MD step = 70300 step time: 00:00:00.152719 Performance: 67.651 ns/day 0.355 hours/ns 3.915 steps/s 2024-05-07 23:16:33,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70300 14060 60.475 -32589 6628.1 -39217 -39217 -0.00041907 -0.00034288 -0.00053336 1.2211e+05 2024-05-07 23:16:48,466 INFO [main.py:798]
{rank 0/64} MD step = 70400 step time: 00:00:00.160495 Performance: 67.649 ns/day 0.355 hours/ns 3.915 steps/s 2024-05-07 23:16:56,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70400 14080 60.372 -32393 6616.8 -39010 -39010 -0.00043812 -0.00040002 -9.5243e-05 1.2229e+05 2024-05-07 23:17:14,981 INFO [main.py:798]
{rank 0/64} MD step = 70500 step time: 00:00:00.163627 Performance: 67.645 ns/day 0.355 hours/ns 3.915 steps/s 2024-05-07 23:17:25,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70500 14100 60.866 -32488 6671 -39159 -39159 -0.00034288 -0.00034288 -0.00060003 1.2247e+05 2024-05-07 23:17:41,500 INFO [main.py:798]
{rank 0/64} MD step = 70600 step time: 00:00:00.153300 Performance: 67.641 ns/day 0.355 hours/ns 3.914 steps/s 2024-05-07 23:17:54,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70600 14120 59.278 -32710 6496.9 -39207 -39207 -0.00013334 -0.00053336 -0.00069052 1.227e+05 2024-05-07 23:18:11,974 INFO [main.py:798]
{rank 0/64} MD step = 70700 step time: 00:00:00.165182 Performance: 67.623 ns/day 0.355 hours/ns 3.913 steps/s 2024-05-07 23:18:24,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70700 14140 60.012 -32602 6577.3 -39179 -39179 -0.00045717 -0.00053336 -0.00022858 1.2285e+05 2024-05-07 23:18:40,252 INFO [main.py:798]
{rank 0/64} MD step = 70800 step time: 00:00:00.153132 Performance: 67.613 ns/day 0.355 hours/ns 3.913 steps/s 2024-05-07 23:18:48,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70800 14160 60.369 -32478 6616.5 -39094 -39094 -0.00043336 -0.00060956 -0.00015239 1.2299e+05 2024-05-07 23:19:04,385 INFO [main.py:798]
{rank 0/64} MD step = 70900 step time: 00:00:00.163860 Performance: 67.618 ns/day 0.355 hours/ns 3.913 steps/s 2024-05-07 23:19:13,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70900 14180 59.966 -32592 6572.3 -39164 -39164 -0.00052146 -0.00022858 -3.8097e-05 1.2314e+05 2024-05-07 23:19:29,330 INFO [main.py:798]
{rank 0/64} MD step = 71000 step time: 00:00:00.156079 Performance: 67.620 ns/day 0.355 hours/ns 3.913 steps/s 2024-05-07 23:19:49,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71000 14200 60.595 -32601 6641.3 -39242 -39242 -0.00045717 -0.00053813 -0.00053336 1.2334e+05 2024-05-07 23:20:05,015 INFO [main.py:798]
{rank 0/64} MD step = 71100 step time: 00:00:00.135913 Performance: 67.583 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-07 23:20:24,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71100 14220 60.56 -32403 6637.4 -39041 -39041 -0.00036193 -0.00057146 -0.00019049 1.2352e+05 2024-05-07 23:20:39,993 INFO [main.py:798]
{rank 0/64} MD step = 71200 step time: 00:00:00.147563 Performance: 67.548 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 23:20:51,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71200 14240 60.377 -32502 6617.4 -39119 -39119 -0.00058099 -0.00041907 -0.00036193 1.2369e+05 2024-05-07 23:21:07,601 INFO [main.py:798]
{rank 0/64} MD step = 71300 step time: 00:00:00.153703 Performance: 67.540 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 23:21:16,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71300 14260 59.577 -32661 6529.7 -39191 -39191 -0.00033335 -0.00025716 -0.00011429 1.2385e+05 2024-05-07 23:21:32,723 INFO [main.py:798]
{rank 0/64} MD step = 71400 step time: 00:00:00.159162 Performance: 67.542 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 23:21:40,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71400 14280 59.619 -32579 6534.3 -39113 -39113 -0.0001762 -0.00049527 -0.00072385 1.2405e+05 2024-05-07 23:21:58,870 INFO [main.py:798]
{rank 0/64} MD step = 71500 step time: 00:00:00.153969 Performance: 67.540 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-07 23:22:10,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71500 14300 59.763 -32424 6550.1 -38974 -38974 -0.00028573 -0.00043812 -0.00051431 1.2424e+05 2024-05-07 23:22:25,709 INFO [main.py:798]
{rank 0/64} MD step = 71600 step time: 00:00:00.150224 Performance: 67.535 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-07 23:22:36,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71600 14320 60.23 -32599 6601.3 -39200 -39200 -0.00051431 -0.00068575 -9.5243e-05 1.2436e+05 2024-05-07 23:22:52,789 INFO [main.py:798]
{rank 0/64} MD step = 71700 step time: 00:00:00.154210 Performance: 67.530 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-07 23:23:01,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71700 14340 60.082 -32506 6585.1 -39091 -39091 -2.8573e-05 -0.00055241 -0.00020954 1.2455e+05 2024-05-07 23:23:16,816 INFO [main.py:798]
{rank 0/64} MD step = 71800 step time: 00:00:00.135059 Performance: 67.536 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-07 23:23:31,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71800 14360 59.567 -32541 6528.6 -39070 -39070 -0.00026668 -0.00053336 -0.00027621 1.2474e+05 2024-05-07 23:23:48,188 INFO [main.py:798]
{rank 0/64} MD step = 71900 step time: 00:00:00.155445 Performance: 67.514 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-07 23:23:59,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71900 14380 60.271 -32608 6605.7 -39214 -39214 -0.00036193 -0.00051431 -0.00013334 1.2493e+05 2024-05-07 23:24:15,536 INFO [main.py:798]
{rank 0/64} MD step = 72000 step time: 00:00:00.179748 Performance: 67.508 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-07 23:24:40,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72000 14400 60.058 -32471 6582.5 -39053 -39053 3.8097e-05 -0.0007048 6.667e-05 1.2515e+05 2024-05-07 23:24:56,740 INFO [main.py:798]
{rank 0/64} MD step = 72100 step time: 00:00:00.145492 Performance: 67.451 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-07 23:25:16,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72100 14420 59.98 -32611 6573.8 -39185 -39185 -0.00024763 -3.8097e-05 -0.00011429 1.2529e+05 2024-05-07 23:25:32,409 INFO [main.py:798]
{rank 0/64} MD step = 72200 step time: 00:00:00.153349 Performance: 67.414 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 23:25:45,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72200 14440 59.907 -32476 6565.9 -39042 -39042 -0.00028573 -0.0003143 -0.00020001 1.2549e+05 2024-05-07 23:26:00,617 INFO [main.py:798]
{rank 0/64} MD step = 72300 step time: 00:00:00.157862 Performance: 67.405 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 23:26:10,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72300 14460 59.754 -32624 6549.1 -39173 -39173 -0.00041907 -0.00067623 -0.0005667 1.2568e+05 2024-05-07 23:26:26,693 INFO [main.py:798]
{rank 0/64} MD step = 72400 step time: 00:00:00.163961 Performance: 67.403 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 23:26:34,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72400 14480 60.357 -32487 6615.2 -39102 -39102 -0.00032383 -0.00060956 -0.0006667 1.2585e+05 2024-05-07 23:26:50,342 INFO [main.py:798]
{rank 0/64} MD step = 72500 step time: 00:00:00.164831 Performance: 67.410 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-07 23:27:05,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72500 14500 59.52 -32699 6523.4 -39222 -39222 -0.00044764 -0.00040955 -0.00043812 1.2601e+05 2024-05-07 23:27:21,306 INFO [main.py:798]
{rank 0/64} MD step = 72600 step time: 00:00:00.151134 Performance: 67.391 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-07 23:27:32,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72600 14520 60.322 -32507 6611.3 -39118 -39118 -0.00047622 -0.00064766 -0.00068575 1.2621e+05 2024-05-07 23:27:49,123 INFO [main.py:798]
{rank 0/64} MD step = 72700 step time: 00:00:00.162762 Performance: 67.383 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-07 23:28:01,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72700 14540 59.974 -32436 6573.3 -39009 -39009 -0.00037145 9.5243e-05 -0.00048574 1.2642e+05 2024-05-07 23:28:18,128 INFO [main.py:798]
{rank 0/64} MD step = 72800 step time: 00:00:00.149682 Performance: 67.371 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-07 23:28:30,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72800 14560 59.712 -32617 6544.5 -39161 -39161 -0.00038097 -0.00046431 -0.00013334 1.2657e+05 2024-05-07 23:28:45,831 INFO [main.py:798]
{rank 0/64} MD step = 72900 step time: 00:00:00.153721 Performance: 67.364 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-07 23:29:04,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72900 14580 59.741 -32639 6547.6 -39187 -39187 -0.00028573 -0.00063337 -0.00040002 1.2675e+05 2024-05-07 23:29:19,321 INFO [main.py:798]
{rank 0/64} MD step = 73000 step time: 00:00:00.159943 Performance: 67.336 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-07 23:29:45,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73000 14600 60.02 -32608 6578.3 -39187 -39187 -0.00027621 -0.00080957 -0.00022382 1.2689e+05 2024-05-07 23:30:00,000 INFO [main.py:798]
{rank 0/64} MD step = 73100 step time: 00:00:00.158580 Performance: 67.282 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-07 23:30:03,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73100 14620 60.771 -32499 6660.6 -39160 -39160 -0.00015239 -0.00045717 -0.00072385 1.2711e+05 2024-05-07 23:30:21,271 INFO [main.py:798]
{rank 0/64} MD step = 73200 step time: 00:00:00.163073 Performance: 67.298 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-07 23:30:27,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73200 14640 59.33 -32604 6502.6 -39107 -39107 0.00018096 -0.00037145 9.5243e-05 1.2728e+05 2024-05-07 23:30:42,875 INFO [main.py:798]
{rank 0/64} MD step = 73300 step time: 00:00:00.167052 Performance: 67.312 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-07 23:30:50,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73300 14660 59.443 -32552 6515 -39067 -39067 -7.6195e-05 -0.00046669 -0.00030478 1.2745e+05 2024-05-07 23:31:05,881 INFO [main.py:798]
{rank 0/64} MD step = 73400 step time: 00:00:00.165897 Performance: 67.322 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-07 23:31:14,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73400 14680 60.236 -32601 6601.9 -39203 -39203 -0.00026668 -0.00037145 -0.00034288 1.2761e+05 2024-05-07 23:31:29,910 INFO [main.py:798]
{rank 0/64} MD step = 73500 step time: 00:00:00.163571 Performance: 67.327 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-07 23:31:33,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73500 14700 59.52 -32612 6523.5 -39135 -39135 -0.00026668 -0.00061432 -0.00041907 1.2779e+05 2024-05-07 23:31:51,297 INFO [main.py:798]
{rank 0/64} MD step = 73600 step time: 00:00:00.132594 Performance: 67.343 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-07 23:32:19,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73600 14720 59.811 -32656 6555.4 -39212 -39212 -0.00022858 -0.00056194 -0.00059051 1.2798e+05 2024-05-07 23:32:33,582 INFO [main.py:798]
{rank 0/64} MD step = 73700 step time: 00:00:00.159383 Performance: 67.284 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-07 23:32:44,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73700 14740 60.001 -32640 6576.2 -39216 -39216 -0.00046669 -0.00032383 -0.00038097 1.2816e+05 2024-05-07 23:33:02,363 INFO [main.py:798]
{rank 0/64} MD step = 73800 step time: 00:00:00.157036 Performance: 67.273 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-07 23:33:25,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73800 14760 59.474 -32701 6518.4 -39219 -39219 0.00027621 -0.00019049 -0.00060956 1.2833e+05 2024-05-07 23:33:40,946 INFO [main.py:798]
{rank 0/64} MD step = 73900 step time: 00:00:00.160376 Performance: 67.227 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-07 23:33:59,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73900 14780 60.497 -32404 6630.5 -39035 -39035 -0.00041907 -0.00018096 -1.9049e-05 1.2853e+05 2024-05-07 23:34:14,943 INFO [main.py:798]
{rank 0/64} MD step = 74000 step time: 00:00:00.139198 Performance: 67.198 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-07 23:34:28,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74000 14800 60.075 -32527 6584.3 -39112 -39112 -0.00015239 -0.00041907 -0.00045717 1.2871e+05 2024-05-07 23:34:45,564 INFO [main.py:798]
{rank 0/64} MD step = 74100 step time: 00:00:00.191338 Performance: 67.180 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-07 23:34:54,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74100 14820 60.36 -32495 6615.6 -39110 -39110 -0.00026668 -0.0003143 -0.00040002 1.2892e+05 2024-05-07 23:35:10,123 INFO [main.py:798]
{rank 0/64} MD step = 74200 step time: 00:00:00.172605 Performance: 67.184 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-07 23:35:22,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74200 14840 60.162 -32597 6593.8 -39191 -39191 -0.00064766 -0.00049527 -0.00013334 1.2906e+05 2024-05-07 23:35:39,090 INFO [main.py:798]
{rank 0/64} MD step = 74300 step time: 00:00:00.153281 Performance: 67.173 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-07 23:35:47,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74300 14860 59.972 -32527 6573 -39100 -39100 -0.00023811 -0.00051431 0 1.2924e+05 2024-05-07 23:36:03,583 INFO [main.py:798]
{rank 0/64} MD step = 74400 step time: 00:00:00.162452 Performance: 67.177 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-07 23:36:14,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74400 14880 60.153 -32662 6592.9 -39255 -39255 0.00022858 -0.00011429 -7.6195e-05 1.2938e+05 2024-05-07 23:36:30,591 INFO [main.py:798]
{rank 0/64} MD step = 74500 step time: 00:00:00.156853 Performance: 67.173 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-07 23:36:40,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74500 14900 60.923 -32370 6677.3 -39047 -39047 -0.00019049 -0.00040717 -0.00011429 1.296e+05 2024-05-07 23:36:57,003 INFO [main.py:798]
{rank 0/64} MD step = 74600 step time: 00:00:00.155852 Performance: 67.170 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-07 23:37:05,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74600 14920 60.573 -32525 6638.9 -39164 -39164 -0.00035716 -0.00051431 -0.00015239 1.2975e+05 2024-05-07 23:37:21,657 INFO [main.py:798]
{rank 0/64} MD step = 74700 step time: 00:00:00.158670 Performance: 67.174 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-07 23:37:31,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74700 14940 59.229 -32742 6491.6 -39234 -39234 -0.00049527 -0.00036193 4.7622e-05 1.2993e+05 2024-05-07 23:37:46,893 INFO [main.py:798]
{rank 0/64} MD step = 74800 step time: 00:00:00.152527 Performance: 67.176 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-07 23:37:58,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74800 14960 59.626 -32537 6535.1 -39072 -39072 -0.00029525 -0.00061908 -0.00017144 1.3014e+05 2024-05-07 23:38:19,013 INFO [main.py:798]
{rank 0/64} MD step = 74900 step time: 00:00:00.160071 Performance: 67.154 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-07 23:39:01,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74900 14980 60.907 -32509 6675.4 -39185 -39185 -0.00045717 -0.00067623 -0.00049527 1.3029e+05 2024-05-07 23:39:16,949 INFO [main.py:798]
{rank 0/64} MD step = 75000 step time: 00:00:00.153225 Performance: 67.042 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-07 23:39:23,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75000 15000 60.609 -32540 6642.9 -39182 -39182 -0.00023811 -0.00040002 -0.00064766 1.3044e+05 2024-05-07 23:39:39,256 INFO [main.py:798]
{rank 0/64} MD step = 75100 step time: 00:00:00.159498 Performance: 67.054 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-07 23:39:46,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75100 15020 61.018 -32541 6687.6 -39229 -39229 -0.00033335 -0.00030478 -0.0006667 1.306e+05 2024-05-07 23:40:02,428 INFO [main.py:798]
{rank 0/64} MD step = 75200 step time: 00:00:00.165839 Performance: 67.063 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-07 23:40:11,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75200 15040 59.87 -32592 6561.8 -39154 -39154 -0.00015239 -0.00064766 -0.00040955 1.3078e+05 2024-05-07 23:40:27,332 INFO [main.py:798]
{rank 0/64} MD step = 75300 step time: 00:00:00.166779 Performance: 67.066 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-07 23:40:36,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75300 15060 59.971 -32586 6572.9 -39158 -39158 -0.00038097 -0.00045717 -0.00057146 1.3094e+05 2024-05-07 23:40:55,702 INFO [main.py:798]
{rank 0/64} MD step = 75400 step time: 00:00:00.151811 Performance: 67.057 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-07 23:41:03,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75400 15080 60.24 -32658 6602.3 -39260 -39260 -0.00022858 -0.00041907 5.7146e-05 1.3112e+05 2024-05-07 23:41:19,496 INFO [main.py:798]
{rank 0/64} MD step = 75500 step time: 00:00:00.149882 Performance: 67.063 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-07 23:41:27,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75500 15100 60.544 -32577 6635.7 -39213 -39213 -3.8097e-05 -0.00034288 -0.00049527 1.3132e+05 2024-05-07 23:41:43,140 INFO [main.py:798]
{rank 0/64} MD step = 75600 step time: 00:00:00.155181 Performance: 67.071 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-07 23:41:53,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75600 15120 61.057 -32448 6691.9 -39139 -39139 -0.00034288 -0.00064766 -0.00080005 1.3148e+05 2024-05-07 23:42:09,682 INFO [main.py:798]
{rank 0/64} MD step = 75700 step time: 00:00:00.155992 Performance: 67.068 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-07 23:42:22,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75700 15140 59.72 -32490 6545.4 -39035 -39035 -0.00011429 -0.00052384 -0.00032383 1.3165e+05 2024-05-07 23:42:38,478 INFO [main.py:798]
{rank 0/64} MD step = 75800 step time: 00:00:00.158250 Performance: 67.058 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-07 23:42:58,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75800 15160 60.561 -32510 6637.5 -39148 -39148 -0.00034288 -0.00022858 0 1.3184e+05 2024-05-07 23:43:14,194 INFO [main.py:798]
{rank 0/64} MD step = 75900 step time: 00:00:00.166619 Performance: 67.024 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-07 23:43:33,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75900 15180 60.299 -32489 6608.8 -39097 -39097 -0.00050479 -0.0004286 -0.00060956 1.3202e+05 2024-05-07 23:43:49,733 INFO [main.py:798]
{rank 0/64} MD step = 76000 step time: 00:00:00.155560 Performance: 66.990 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-07 23:43:57,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76000 15200 59.581 -32646 6530.2 -39176 -39176 -0.00049527 -0.00034288 -0.00020954 1.3219e+05 2024-05-07 23:44:13,223 INFO [main.py:798]
{rank 0/64} MD step = 76100 step time: 00:00:00.149719 Performance: 66.998 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-07 23:44:19,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76100 15220 59.838 -32412 6558.3 -38971 -38971 -0.00030478 -0.0003143 -0.00015239 1.324e+05 2024-05-07 23:44:35,521 INFO [main.py:798]
{rank 0/64} MD step = 76200 step time: 00:00:00.183873 Performance: 67.010 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-07 23:44:42,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76200 15240 59.804 -32615 6554.6 -39170 -39170 -0.00045717 -0.00049527 -0.00020954 1.3254e+05 2024-05-07 23:44:58,997 INFO [main.py:798]
{rank 0/64} MD step = 76300 step time: 00:00:00.165289 Performance: 67.018 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-07 23:45:05,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76300 15260 60.266 -32603 6605.2 -39208 -39208 -0.00028573 -0.00055241 -0.00041907 1.3272e+05 2024-05-07 23:45:22,005 INFO [main.py:798]
{rank 0/64} MD step = 76400 step time: 00:00:00.159259 Performance: 67.027 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-07 23:45:29,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76400 15280 60.06 -32551 6582.7 -39134 -39134 -0.00020954 -0.00041907 -0.00072385 1.329e+05 2024-05-07 23:45:45,764 INFO [main.py:798]
{rank 0/64} MD step = 76500 step time: 00:00:00.160743 Performance: 67.034 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-07 23:45:54,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76500 15300 60.254 -32576 6603.9 -39180 -39180 -0.00040955 -0.0007048 -0.00062861 1.3307e+05 2024-05-07 23:46:11,092 INFO [main.py:798]
{rank 0/64} MD step = 76600 step time: 00:00:00.161344 Performance: 67.036 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-07 23:46:18,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76600 15320 59.877 -32476 6562.6 -39039 -39039 -0.00034288 -0.00060956 -7.6195e-05 1.3326e+05 2024-05-07 23:46:35,404 INFO [main.py:798]
{rank 0/64} MD step = 76700 step time: 00:00:00.170520 Performance: 67.041 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-07 23:46:43,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76700 15340 59.936 -32576 6569 -39145 -39145 -0.00022858 -0.00019049 -0.00024763 1.334e+05 2024-05-07 23:46:59,417 INFO [main.py:798]
{rank 0/64} MD step = 76800 step time: 00:00:00.151981 Performance: 67.047 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-07 23:47:18,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76800 15360 60.112 -32643 6588.3 -39232 -39232 -0.00045717 -0.00038097 -0.00044288 1.3357e+05 2024-05-07 23:47:34,072 INFO [main.py:798]
{rank 0/64} MD step = 76900 step time: 00:00:00.146300 Performance: 67.017 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-07 23:47:52,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76900 15380 59.644 -32794 6537.1 -39331 -39331 -0.00050955 -0.00043812 -0.00060956 1.3372e+05 2024-05-07 23:48:07,619 INFO [main.py:798]
{rank 0/64} MD step = 77000 step time: 00:00:00.150677 Performance: 66.990 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-07 23:48:23,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77000 15400 60.773 -32421 6660.8 -39082 -39082 -0.00036193 -0.00057146 -0.00060003 1.3394e+05 2024-05-07 23:48:39,104 INFO [main.py:798]
{rank 0/64} MD step = 77100 step time: 00:00:00.155215 Performance: 66.971 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-07 23:48:46,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77100 15420 59.247 -32548 6493.5 -39041 -39041 -0.00036193 -0.00032383 -0.00014763 1.3413e+05 2024-05-07 23:49:02,428 INFO [main.py:798]
{rank 0/64} MD step = 77200 step time: 00:00:00.161212 Performance: 66.980 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-07 23:49:10,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77200 15440 58.812 -32733 6445.8 -39179 -39179 -0.00047622 -0.00057146 -0.0007429 1.3429e+05 2024-05-07 23:49:26,216 INFO [main.py:798]
{rank 0/64} MD step = 77300 step time: 00:00:00.166977 Performance: 66.986 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-07 23:49:33,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77300 15460 60.063 -32522 6583 -39105 -39105 -0.00019049 -0.00026668 -0.00030478 1.3448e+05 2024-05-07 23:49:49,573 INFO [main.py:798]
{rank 0/64} MD step = 77400 step time: 00:00:00.164324 Performance: 66.995 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-07 23:49:57,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77400 15480 60.674 -32496 6649.9 -39146 -39146 -0.00022858 -0.00065718 -0.00040478 1.3464e+05 2024-05-07 23:50:13,671 INFO [main.py:798]
{rank 0/64} MD step = 77500 step time: 00:00:00.154719 Performance: 67.000 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-07 23:50:21,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77500 15500 59.597 -32593 6531.9 -39125 -39125 -0.00036193 -0.00049527 -0.00030478 1.3482e+05 2024-05-07 23:50:37,293 INFO [main.py:798]
{rank 0/64} MD step = 77600 step time: 00:00:00.156631 Performance: 67.008 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-07 23:50:43,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77600 15520 59.76 -32553 6549.8 -39103 -39103 -0.00026668 -0.00038097 -0.00046669 1.3499e+05 2024-05-07 23:50:59,905 INFO [main.py:798]
{rank 0/64} MD step = 77700 step time: 00:00:00.146085 Performance: 67.018 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-07 23:51:06,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77700 15540 60.733 -32431 6656.4 -39088 -39088 -1.9049e-05 -0.00045717 -0.0005667 1.3518e+05 2024-05-07 23:51:22,812 INFO [main.py:798]
{rank 0/64} MD step = 77800 step time: 00:00:00.141804 Performance: 67.028 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-07 23:51:32,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77800 15560 60.655 -32446 6647.9 -39094 -39094 -5.7146e-05 -0.00076195 0.00020954 1.3531e+05 2024-05-07 23:51:48,602 INFO [main.py:798]
{rank 0/64} MD step = 77900 step time: 00:00:00.150748 Performance: 67.028 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-07 23:52:10,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77900 15580 58.789 -32695 6443.3 -39139 -39139 -0.00036193 -0.00049527 6.667e-05 1.3549e+05 2024-05-07 23:52:25,937 INFO [main.py:798]
{rank 0/64} MD step = 78000 step time: 00:00:00.155577 Performance: 66.989 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-07 23:52:48,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78000 15600 59.305 -32645 6499.9 -39145 -39145 -0.00045717 -0.00071433 -0.00057146 1.3561e+05 2024-05-07 23:53:04,507 INFO [main.py:798]
{rank 0/64} MD step = 78100 step time: 00:00:00.151868 Performance: 66.947 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-07 23:53:12,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78100 15620 59.46 -32693 6516.9 -39210 -39210 -0.00032383 -0.00057146 -0.00038097 1.3578e+05 2024-05-07 23:53:28,483 INFO [main.py:798]
{rank 0/64} MD step = 78200 step time: 00:00:00.145539 Performance: 66.953 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-07 23:53:38,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78200 15640 60.229 -32604 6601.2 -39206 -39206 -0.00032383 -0.00064766 -0.00072385 1.3598e+05 2024-05-07 23:53:54,823 INFO [main.py:798]
{rank 0/64} MD step = 78300 step time: 00:00:00.143752 Performance: 66.951 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-07 23:54:18,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78300 15660 60.35 -32537 6614.4 -39151 -39151 -0.00015239 -0.00030478 -0.00022858 1.3616e+05 2024-05-07 23:54:34,573 INFO [main.py:798]
{rank 0/64} MD step = 78400 step time: 00:00:00.159235 Performance: 66.905 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-07 23:54:41,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78400 15680 60.824 -32573 6666.4 -39240 -39240 0.00036193 -0.00051431 -0.00057146 1.3635e+05 2024-05-07 23:54:57,344 INFO [main.py:798]
{rank 0/64} MD step = 78500 step time: 00:00:00.163352 Performance: 66.915 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-07 23:55:02,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78500 15700 59.732 -32690 6546.7 -39237 -39237 -7.6195e-05 -0.000781 -0.00062861 1.3651e+05 2024-05-07 23:55:20,406 INFO [main.py:798]
{rank 0/64} MD step = 78600 step time: 00:00:00.163665 Performance: 66.924 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-07 23:55:28,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78600 15720 59.793 -32574 6553.3 -39127 -39127 -0.00026668 -0.00040002 -0.00055241 1.3671e+05 2024-05-07 23:55:43,094 INFO [main.py:798]
{rank 0/64} MD step = 78700 step time: 00:00:00.145874 Performance: 66.935 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-07 23:56:04,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78700 15740 59.168 -32770 6484.9 -39255 -39255 -0.00035716 -0.00017144 -0.00057146 1.3682e+05 2024-05-07 23:56:33,452 INFO [main.py:798]
{rank 0/64} MD step = 78800 step time: 00:00:00.135090 Performance: 66.854 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-07 23:56:55,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78800 15760 60.477 -32404 6628.4 -39032 -39032 -0.00011429 7.6195e-05 -0.00015239 1.3703e+05 2024-05-07 23:57:09,905 INFO [main.py:798]
{rank 0/64} MD step = 78900 step time: 00:00:00.143500 Performance: 66.819 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-07 23:57:28,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78900 15780 59.684 -32564 6541.4 -39106 -39106 -0.00024287 -0.00048574 -0.00013334 1.3718e+05 2024-05-07 23:57:44,319 INFO [main.py:798]
{rank 0/64} MD step = 79000 step time: 00:00:00.164512 Performance: 66.791 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-07 23:57:59,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79000 15800 59.639 -32694 6536.5 -39231 -39231 -0.00038097 -0.00064766 -0.00060956 1.3734e+05 2024-05-07 23:58:15,102 INFO [main.py:798]
{rank 0/64} MD step = 79100 step time: 00:00:00.149666 Performance: 66.775 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-07 23:58:39,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79100 15820 60.086 -32534 6585.5 -39120 -39120 -0.00040002 -0.00041907 -0.00017144 1.3756e+05 2024-05-07 23:58:54,782 INFO [main.py:798]
{rank 0/64} MD step = 79200 step time: 00:00:00.154785 Performance: 66.730 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-07 23:59:07,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79200 15840 60.323 -32443 6611.4 -39055 -39055 -0.00022858 7.6195e-05 -0.00049527 1.3772e+05 2024-05-07 23:59:23,511 INFO [main.py:798]
{rank 0/64} MD step = 79300 step time: 00:00:00.155107 Performance: 66.721 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-07 23:59:37,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79300 15860 59.554 -32805 6527.2 -39333 -39333 -0.0003905 -0.00045717 4.7622e-05 1.3786e+05 2024-05-07 23:59:53,353 INFO [main.py:798]
{rank 0/64} MD step = 79400 step time: 00:00:00.173238 Performance: 66.708 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:00:01,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79400 15880 59.957 -32512 6571.4 -39083 -39083 -0.00017144 -0.0003143 -0.00032383 1.3804e+05 2024-05-08 00:00:17,503 INFO [main.py:798]
{rank 0/64} MD step = 79500 step time: 00:00:00.162172 Performance: 66.714 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:00:25,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79500 15900 59.601 -32598 6532.3 -39130 -39130 0.00020954 -0.00038097 -0.00013334 1.3822e+05 2024-05-08 00:00:41,362 INFO [main.py:798]
{rank 0/64} MD step = 79600 step time: 00:00:00.162485 Performance: 66.721 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:00:50,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79600 15920 60.744 -32327 6657.6 -38984 -38984 -0.00030478 -0.00072861 -0.00073337 1.3838e+05 2024-05-08 00:01:06,012 INFO [main.py:798]
{rank 0/64} MD step = 79700 step time: 00:00:00.161956 Performance: 66.725 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:01:21,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79700 15940 59.907 -32642 6565.8 -39208 -39208 -0.00026192 -0.0003524 -0.00076195 1.3852e+05 2024-05-08 00:01:37,010 INFO [main.py:798]
{rank 0/64} MD step = 79800 step time: 00:00:00.158645 Performance: 66.708 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:01:54,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79800 15960 60.319 -32610 6611.1 -39221 -39221 -0.00068575 -0.00048574 -0.00019049 1.3874e+05 2024-05-08 00:02:10,226 INFO [main.py:798]
{rank 0/64} MD step = 79900 step time: 00:00:00.154148 Performance: 66.685 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:02:15,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79900 15980 59.845 -32639 6559.1 -39198 -39198 -0.00041907 -0.00049527 -3.8097e-05 1.3893e+05 2024-05-08 00:02:32,701 INFO [main.py:798]
{rank 0/64} MD step = 80000 step time: 00:00:00.161868 Performance: 66.696 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:02:42,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80000 16000 59.615 -32687 6533.9 -39221 -39221 -5.7146e-05 -0.00058099 -0.00037145 1.3909e+05 2024-05-08 00:02:58,065 INFO [main.py:798]
{rank 0/64} MD step = 80100 step time: 00:00:00.156205 Performance: 66.697 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:03:04,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80100 16020 59.183 -32530 6486.5 -39017 -39017 -2.3811e-05 -0.00044764 -5.7146e-05 1.393e+05 2024-05-08 00:03:21,409 INFO [main.py:798]
{rank 0/64} MD step = 80200 step time: 00:00:00.159450 Performance: 66.706 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:03:28,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80200 16040 60.499 -32545 6630.8 -39176 -39176 -0.00047622 -0.00063813 -0.00017144 1.3946e+05 2024-05-08 00:03:44,491 INFO [main.py:798]
{rank 0/64} MD step = 80300 step time: 00:00:00.164985 Performance: 66.715 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:03:52,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80300 16060 60.409 -32540 6620.9 -39160 -39160 -0.00036193 -0.00023335 -0.00040955 1.3968e+05 2024-05-08 00:04:08,876 INFO [main.py:798]
{rank 0/64} MD step = 80400 step time: 00:00:00.168705 Performance: 66.719 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:04:18,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80400 16080 59.286 -32583 6497.8 -39081 -39081 -0.00028573 -0.0005286 -0.00038097 1.3988e+05 2024-05-08 00:04:34,430 INFO [main.py:798]
{rank 0/64} MD step = 80500 step time: 00:00:00.167324 Performance: 66.721 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:04:41,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80500 16100 60.324 -32646 6611.6 -39258 -39258 -0.00045717 -0.00041907 -0.00045717 1.4001e+05 2024-05-08 00:04:57,317 INFO [main.py:798]
{rank 0/64} MD step = 80600 step time: 00:00:00.159747 Performance: 66.730 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 00:05:07,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80600 16120 60.985 -32427 6684.1 -39111 -39111 -5.7146e-05 -0.00040002 -0.00030478 1.4024e+05 2024-05-08 00:05:23,532 INFO [main.py:798]
{rank 0/64} MD step = 80700 step time: 00:00:00.157033 Performance: 66.729 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 00:05:40,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80700 16140 59.836 -32694 6558.1 -39253 -39253 -0.00041907 -0.00034288 -0.00028573 1.4037e+05 2024-05-08 00:05:56,285 INFO [main.py:798]
{rank 0/64} MD step = 80800 step time: 00:00:00.157610 Performance: 66.707 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:06:14,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80800 16160 58.512 -32755 6413 -39168 -39168 -0.00030478 -0.00049527 -0.00049527 1.4057e+05 2024-05-08 00:06:30,332 INFO [main.py:798]
{rank 0/64} MD step = 80900 step time: 00:00:00.178716 Performance: 66.681 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:06:38,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80900 16180 59.809 -32693 6555.1 -39248 -39248 -0.00044764 -0.00036193 -0.00059051 1.407e+05 2024-05-08 00:06:54,432 INFO [main.py:798]
{rank 0/64} MD step = 81000 step time: 00:00:00.148046 Performance: 66.687 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:07:03,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81000 16200 60.214 -32552 6599.6 -39152 -39152 -0.00011429 -1.9049e-05 -0.00034288 1.4092e+05 2024-05-08 00:07:20,270 INFO [main.py:798]
{rank 0/64} MD step = 81100 step time: 00:00:00.134612 Performance: 66.687 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:07:37,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81100 16220 60.158 -32446 6593.4 -39039 -39039 -0.00047622 -0.00049527 -0.00064766 1.4111e+05 2024-05-08 00:07:53,840 INFO [main.py:798]
{rank 0/64} MD step = 81200 step time: 00:00:00.134436 Performance: 66.663 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:08:02,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81200 16240 60.443 -32735 6624.6 -39360 -39360 -0.00024763 -0.00062861 -0.00038097 1.4121e+05 2024-05-08 00:08:18,886 INFO [main.py:798]
{rank 0/64} MD step = 81300 step time: 00:00:00.146351 Performance: 66.666 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:08:29,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81300 16260 59.211 -32804 6489.6 -39294 -39294 -0.00049527 -0.00063813 -0.00060956 1.4143e+05 2024-05-08 00:08:45,257 INFO [main.py:798]
{rank 0/64} MD step = 81400 step time: 00:00:00.150942 Performance: 66.665 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:08:52,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81400 16280 59.88 -32456 6562.9 -39019 -39019 0.00011429 -0.00026668 -0.00017144 1.4162e+05 2024-05-08 00:09:08,220 INFO [main.py:798]
{rank 0/64} MD step = 81500 step time: 00:00:00.142266 Performance: 66.674 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:09:14,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81500 16300 60.744 -32396 6657.6 -39054 -39054 -0.00043812 -0.00038097 -0.00053336 1.4178e+05 2024-05-08 00:09:30,524 INFO [main.py:798]
{rank 0/64} MD step = 81600 step time: 00:00:00.150424 Performance: 66.685 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:09:38,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81600 16320 59.521 -32628 6523.6 -39152 -39152 -0.00032383 -0.00041907 -0.00051431 1.4196e+05 2024-05-08 00:09:53,885 INFO [main.py:798]
{rank 0/64} MD step = 81700 step time: 00:00:00.132997 Performance: 66.693 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:10:18,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81700 16340 59.516 -32675 6523 -39198 -39198 -0.00051431 -0.00048098 -0.00030478 1.4212e+05 2024-05-08 00:10:33,329 INFO [main.py:798]
{rank 0/64} MD step = 81800 step time: 00:00:00.153863 Performance: 66.651 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:11:02,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81800 16360 60.481 -32638 6628.8 -39267 -39267 -0.00019049 -0.00044764 -0.00054289 1.4229e+05 2024-05-08 00:11:17,453 INFO [main.py:798]
{rank 0/64} MD step = 81900 step time: 00:00:00.151768 Performance: 66.594 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:11:24,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81900 16380 60.113 -32584 6588.5 -39173 -39173 -0.00028573 -0.00045717 -0.00018096 1.4245e+05 2024-05-08 00:11:40,302 INFO [main.py:798]
{rank 0/64} MD step = 82000 step time: 00:00:00.148622 Performance: 66.603 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:11:46,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82000 16400 60.048 -32551 6581.3 -39132 -39132 -0.00057146 -0.00049527 -7.6195e-05 1.4266e+05 2024-05-08 00:12:02,317 INFO [main.py:798]
{rank 0/64} MD step = 82100 step time: 00:00:00.146556 Performance: 66.616 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 00:12:08,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82100 16420 60.619 -32591 6643.9 -39235 -39235 -8.5719e-05 -0.00017144 -0.00015239 1.4277e+05 2024-05-08 00:12:23,819 INFO [main.py:798]
{rank 0/64} MD step = 82200 step time: 00:00:00.151884 Performance: 66.630 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:12:31,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82200 16440 58.878 -32837 6453.1 -39290 -39290 -0.00030478 -0.00043812 -0.00043812 1.4295e+05 2024-05-08 00:12:46,942 INFO [main.py:798]
{rank 0/64} MD step = 82300 step time: 00:00:00.167286 Performance: 66.638 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:12:54,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82300 16460 60.073 -32563 6584.1 -39147 -39147 -0.00036193 -0.0003405 -0.00047622 1.4313e+05 2024-05-08 00:13:10,223 INFO [main.py:798]
{rank 0/64} MD step = 82400 step time: 00:00:00.151076 Performance: 66.647 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:13:20,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82400 16480 59.724 -32589 6545.9 -39135 -39135 -2.8573e-05 -0.00040002 -0.00019049 1.4331e+05 2024-05-08 00:13:35,721 INFO [main.py:798]
{rank 0/64} MD step = 82500 step time: 00:00:00.143934 Performance: 66.648 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:13:42,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82500 16500 58.897 -32729 6455.2 -39185 -39185 -0.00024763 -0.00051431 -0.00038097 1.4345e+05 2024-05-08 00:13:58,534 INFO [main.py:798]
{rank 0/64} MD step = 82600 step time: 00:00:00.150226 Performance: 66.658 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:14:06,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82600 16520 59.821 -32671 6556.4 -39227 -39227 -0.00026668 -0.00060956 -0.00034288 1.4361e+05 2024-05-08 00:14:22,498 INFO [main.py:798]
{rank 0/64} MD step = 82700 step time: 00:00:00.155645 Performance: 66.664 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:14:40,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82700 16540 59.74 -32677 6547.6 -39225 -39225 -0.00019049 -0.00036193 -0.00038097 1.4381e+05 2024-05-08 00:14:56,178 INFO [main.py:798]
{rank 0/64} MD step = 82800 step time: 00:00:00.149427 Performance: 66.640 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:15:19,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82800 16560 59.813 -32700 6555.6 -39255 -39255 0.00022858 -0.00051431 0 1.4398e+05 2024-05-08 00:15:33,949 INFO [main.py:798]
{rank 0/64} MD step = 82900 step time: 00:00:00.146715 Performance: 66.603 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:15:40,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82900 16580 59.15 -32670 6482.9 -39153 -39153 -0.00038097 -0.00070004 -0.00073337 1.4416e+05 2024-05-08 00:15:55,488 INFO [main.py:798]
{rank 0/64} MD step = 83000 step time: 00:00:00.154181 Performance: 66.617 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 00:16:02,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83000 16600 59.549 -32516 6526.7 -39043 -39043 -0.00055241 -0.00061908 -9.5243e-05 1.4433e+05 2024-05-08 00:16:18,240 INFO [main.py:798]
{rank 0/64} MD step = 83100 step time: 00:00:00.144675 Performance: 66.626 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:16:25,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83100 16620 59.421 -32651 6512.6 -39164 -39164 -0.00035716 -0.00082862 -0.00034288 1.4447e+05 2024-05-08 00:16:42,497 INFO [main.py:798]
{rank 0/64} MD step = 83200 step time: 00:00:00.133815 Performance: 66.632 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:16:48,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83200 16640 59.525 -32689 6524 -39213 -39213 -0.00033811 -0.0003143 -0.00040955 1.4466e+05 2024-05-08 00:17:04,379 INFO [main.py:798]
{rank 0/64} MD step = 83300 step time: 00:00:00.134596 Performance: 66.644 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:17:09,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83300 16660 59.282 -32735 6497.4 -39232 -39232 0.00019049 -0.00047622 -0.00063813 1.4482e+05 2024-05-08 00:17:27,259 INFO [main.py:798]
{rank 0/64} MD step = 83400 step time: 00:00:00.142541 Performance: 66.653 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:17:38,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83400 16680 60.508 -32640 6631.8 -39272 -39272 -0.00041907 -0.00064766 0.00010239 1.4499e+05 2024-05-08 00:17:54,319 INFO [main.py:798]
{rank 0/64} MD step = 83500 step time: 00:00:00.146889 Performance: 66.650 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:18:02,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83500 16700 59.878 -32717 6562.7 -39280 -39280 -0.00015239 -0.00034288 -1.9049e-05 1.4514e+05 2024-05-08 00:18:17,776 INFO [main.py:798]
{rank 0/64} MD step = 83600 step time: 00:00:00.150412 Performance: 66.658 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:18:27,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83600 16720 60.743 -32512 6657.5 -39169 -39169 -0.00030478 -0.00064766 -5.7146e-05 1.4536e+05 2024-05-08 00:18:42,156 INFO [main.py:798]
{rank 0/64} MD step = 83700 step time: 00:00:00.147396 Performance: 66.662 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:18:51,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83700 16740 60.676 -32498 6650.2 -39148 -39148 -0.00044288 -0.00060956 -0.00028573 1.4555e+05 2024-05-08 00:19:07,464 INFO [main.py:798]
{rank 0/64} MD step = 83800 step time: 00:00:00.148022 Performance: 66.664 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:19:24,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83800 16760 59.381 -32612 6508.2 -39120 -39120 -0.00022858 -0.00063813 -0.00068575 1.4575e+05 2024-05-08 00:19:39,608 INFO [main.py:798]
{rank 0/64} MD step = 83900 step time: 00:00:00.141352 Performance: 66.645 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:19:59,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83900 16780 59.797 -32608 6553.8 -39162 -39162 -0.00030478 0.00017144 -0.00064766 1.4589e+05 2024-05-08 00:20:13,498 INFO [main.py:798]
{rank 0/64} MD step = 84000 step time: 00:00:00.152713 Performance: 66.621 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 00:20:21,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84000 16800 59.664 -32660 6539.2 -39200 -39200 -0.0003905 -0.00026668 -0.00019049 1.4609e+05 2024-05-08 00:20:36,940 INFO [main.py:798]
{rank 0/64} MD step = 84100 step time: 00:00:00.161075 Performance: 66.628 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:20:43,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84100 16820 60.353 -32527 6614.8 -39142 -39142 -0.00050479 -0.00051431 -0.0003143 1.4627e+05 2024-05-08 00:20:58,991 INFO [main.py:798]
{rank 0/64} MD step = 84200 step time: 00:00:00.155520 Performance: 66.640 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:21:05,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84200 16840 59.502 -32761 6521.4 -39282 -39282 0.00018572 -0.00060956 -0.00021906 1.4642e+05 2024-05-08 00:21:20,903 INFO [main.py:798]
{rank 0/64} MD step = 84300 step time: 00:00:00.166277 Performance: 66.652 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:21:27,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84300 16860 59.147 -32751 6482.6 -39234 -39234 -0.0003524 -0.00034288 -0.00015239 1.466e+05 2024-05-08 00:21:42,079 INFO [main.py:798]
{rank 0/64} MD step = 84400 step time: 00:00:00.151984 Performance: 66.667 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:21:48,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84400 16880 59.774 -32755 6551.3 -39306 -39306 -0.00022858 -0.00054289 -0.00049527 1.4675e+05 2024-05-08 00:22:03,517 INFO [main.py:798]
{rank 0/64} MD step = 84500 step time: 00:00:00.151980 Performance: 66.681 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:22:10,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84500 16900 59.951 -32593 6570.7 -39164 -39164 -0.00032383 -0.00055241 -0.0006667 1.4695e+05 2024-05-08 00:22:25,193 INFO [main.py:798]
{rank 0/64} MD step = 84600 step time: 00:00:00.143749 Performance: 66.693 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:22:40,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84600 16920 59.177 -32668 6485.9 -39154 -39154 -0.00036193 -0.00045717 -0.00024763 1.4712e+05 2024-05-08 00:22:55,386 INFO [main.py:798]
{rank 0/64} MD step = 84700 step time: 00:00:00.155532 Performance: 66.680 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:23:01,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84700 16940 59.855 -32716 6560.2 -39276 -39276 -0.00017144 -0.00030478 -0.00045717 1.473e+05 2024-05-08 00:23:16,783 INFO [main.py:798]
{rank 0/64} MD step = 84800 step time: 00:00:00.162336 Performance: 66.694 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:23:26,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84800 16960 59.944 -32592 6569.9 -39162 -39162 -0.00036193 -0.0003905 -0.00055241 1.475e+05 2024-05-08 00:23:41,382 INFO [main.py:798]
{rank 0/64} MD step = 84900 step time: 00:00:00.148464 Performance: 66.698 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:23:58,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84900 16980 59.981 -32586 6574 -39160 -39160 -0.00029525 -0.00028573 -0.00072385 1.4764e+05 2024-05-08 00:24:13,555 INFO [main.py:798]
{rank 0/64} MD step = 85000 step time: 00:00:00.150203 Performance: 66.679 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:24:32,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85000 17000 60.103 -32562 6587.4 -39150 -39150 0.00034288 -0.00057146 -7.6195e-05 1.4782e+05 2024-05-08 00:24:47,801 INFO [main.py:798]
{rank 0/64} MD step = 85100 step time: 00:00:00.161687 Performance: 66.654 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:24:54,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85100 17020 61.153 -32354 6702.4 -39056 -39056 0.00020954 -0.00026668 -0.00043812 1.4801e+05 2024-05-08 00:25:09,821 INFO [main.py:798]
{rank 0/64} MD step = 85200 step time: 00:00:00.157378 Performance: 66.666 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:25:17,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85200 17040 59.696 -32572 6542.8 -39114 -39114 -9.5243e-05 -0.00031907 -0.00062861 1.4819e+05 2024-05-08 00:25:32,537 INFO [main.py:798]
{rank 0/64} MD step = 85300 step time: 00:00:00.157049 Performance: 66.675 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:25:38,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85300 17060 59.891 -32456 6564.1 -39020 -39020 -0.00024763 -0.00041907 -0.00047622 1.4834e+05 2024-05-08 00:25:52,528 INFO [main.py:798]
{rank 0/64} MD step = 85400 step time: 00:00:00.150778 Performance: 66.693 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:26:04,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85400 17080 60.716 -32543 6654.5 -39197 -39197 -0.00019049 -0.00028573 0.00017144 1.4851e+05 2024-05-08 00:26:18,494 INFO [main.py:798]
{rank 0/64} MD step = 85500 step time: 00:00:00.154333 Performance: 66.693 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:26:26,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85500 17100 60.05 -32593 6581.5 -39174 -39174 -0.00022858 -0.00055241 -0.00062861 1.4869e+05 2024-05-08 00:26:40,634 INFO [main.py:798]
{rank 0/64} MD step = 85600 step time: 00:00:00.149826 Performance: 66.704 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:26:47,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85600 17120 59.332 -32703 6502.8 -39205 -39205 -0.00028573 -0.00060956 -3.8097e-05 1.4888e+05 2024-05-08 00:27:04,571 INFO [main.py:798]
{rank 0/64} MD step = 85700 step time: 00:00:00.157403 Performance: 66.710 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:27:10,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85700 17140 60.011 -32470 6577.3 -39047 -39047 -0.00036669 -0.00055241 -0.00051431 1.4907e+05 2024-05-08 00:27:25,986 INFO [main.py:798]
{rank 0/64} MD step = 85800 step time: 00:00:00.134404 Performance: 66.724 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:27:33,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85800 17160 60.922 -32395 6677.1 -39072 -39072 -0.00016191 -0.00051431 -0.00052384 1.4923e+05 2024-05-08 00:27:48,861 INFO [main.py:798]
{rank 0/64} MD step = 85900 step time: 00:00:00.138882 Performance: 66.733 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 00:27:55,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85900 17180 59.925 -32491 6567.9 -39059 -39059 -0.00013334 -0.00026668 -0.00045717 1.494e+05 2024-05-08 00:28:12,675 INFO [main.py:798]
{rank 0/64} MD step = 86000 step time: 00:00:00.138055 Performance: 66.739 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 00:28:32,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86000 17200 59.933 -32624 6568.7 -39193 -39193 -0.00023335 -0.00047622 -4.7622e-05 1.4958e+05 2024-05-08 00:28:48,506 INFO [main.py:798]
{rank 0/64} MD step = 86100 step time: 00:00:00.145435 Performance: 66.709 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:29:03,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86100 17220 59.879 -32541 6562.8 -39104 -39104 -0.00022858 -0.00068575 -0.00026668 1.4979e+05 2024-05-08 00:29:18,997 INFO [main.py:798]
{rank 0/64} MD step = 86200 step time: 00:00:00.152567 Performance: 66.696 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:29:24,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86200 17240 60.353 -32595 6614.7 -39210 -39210 -0.00022858 -0.000781 0 1.4991e+05 2024-05-08 00:29:40,190 INFO [main.py:798]
{rank 0/64} MD step = 86300 step time: 00:00:00.147951 Performance: 66.710 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:29:46,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86300 17260 60.497 -32537 6630.6 -39168 -39168 -0.00020954 -0.00054289 -0.00026668 1.501e+05 2024-05-08 00:30:08,870 INFO [main.py:798]
{rank 0/64} MD step = 86400 step time: 00:00:00.161897 Performance: 66.702 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:30:14,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86400 17280 60.071 -32409 6583.8 -38993 -38993 0 -0.00013334 -0.00011429 1.503e+05 2024-05-08 00:30:30,469 INFO [main.py:798]
{rank 0/64} MD step = 86500 step time: 00:00:00.158638 Performance: 66.714 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:30:36,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86500 17300 60.17 -32640 6594.7 -39234 -39234 -0.00045717 -5.7146e-05 -0.00036193 1.5046e+05 2024-05-08 00:30:51,549 INFO [main.py:798]
{rank 0/64} MD step = 86600 step time: 00:00:00.163320 Performance: 66.729 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 00:30:56,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86600 17320 59.875 -32612 6562.4 -39174 -39174 -0.00041907 -0.00059051 -0.00011429 1.5064e+05 2024-05-08 00:31:12,435 INFO [main.py:798]
{rank 0/64} MD step = 86700 step time: 00:00:00.150995 Performance: 66.744 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 00:31:19,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86700 17340 60.268 -32546 6605.5 -39152 -39152 0.00014287 -0.00072385 -0.00048574 1.5079e+05 2024-05-08 00:31:34,267 INFO [main.py:798]
{rank 0/64} MD step = 86800 step time: 00:00:00.149541 Performance: 66.756 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 00:31:40,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86800 17360 60.384 -32679 6618.1 -39297 -39297 -0.00034288 -0.00072385 9.5243e-05 1.5094e+05 2024-05-08 00:31:56,254 INFO [main.py:798]
{rank 0/64} MD step = 86900 step time: 00:00:00.155827 Performance: 66.767 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 00:32:02,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86900 17380 61.175 -32410 6704.9 -39115 -39115 -0.00053336 9.5243e-05 9.5243e-06 1.511e+05 2024-05-08 00:32:18,002 INFO [main.py:798]
{rank 0/64} MD step = 87000 step time: 00:00:00.152445 Performance: 66.779 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 00:32:22,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87000 17400 59.923 -32654 6567.6 -39221 -39221 -0.00030478 -0.00036193 -0.00053813 1.5125e+05 2024-05-08 00:32:40,044 INFO [main.py:798]
{rank 0/64} MD step = 87100 step time: 00:00:00.159670 Performance: 66.791 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 00:32:46,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87100 17420 59.697 -32616 6542.9 -39159 -39159 0.00015239 -0.0004286 -0.00055241 1.5144e+05 2024-05-08 00:33:00,755 INFO [main.py:798]
{rank 0/64} MD step = 87200 step time: 00:00:00.148989 Performance: 66.806 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 00:33:16,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87200 17440 59.867 -32586 6561.6 -39148 -39148 0 -0.00034288 -0.00045717 1.5161e+05 2024-05-08 00:33:31,346 INFO [main.py:798]
{rank 0/64} MD step = 87300 step time: 00:00:00.152634 Performance: 66.792 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 00:33:37,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87300 17460 59.913 -32609 6566.5 -39175 -39175 -0.00030478 -0.00068575 -0.0007048 1.5177e+05 2024-05-08 00:33:53,999 INFO [main.py:798]
{rank 0/64} MD step = 87400 step time: 00:00:00.147020 Performance: 66.802 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 00:34:02,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87400 17480 60.166 -32641 6594.3 -39235 -39235 -0.00043812 -0.00077147 -0.00034288 1.5191e+05 2024-05-08 00:34:17,154 INFO [main.py:798]
{rank 0/64} MD step = 87500 step time: 00:00:00.139999 Performance: 66.810 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 00:34:29,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87500 17500 60.946 -32399 6679.8 -39079 -39079 -0.00048574 -0.00083814 -6.667e-05 1.5212e+05 2024-05-08 00:34:43,844 INFO [main.py:798]
{rank 0/64} MD step = 87600 step time: 00:00:00.138664 Performance: 66.807 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 00:35:06,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87600 17520 60.32 -32487 6611.2 -39098 -39098 -0.00050479 -0.00075242 -0.0007429 1.5229e+05 2024-05-08 00:35:20,265 INFO [main.py:798]
{rank 0/64} MD step = 87700 step time: 00:00:00.147082 Performance: 66.776 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 00:35:37,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87700 17540 60.701 -32486 6652.9 -39139 -39139 -9.5243e-05 -0.00026668 -9.5243e-05 1.5247e+05 2024-05-08 00:35:54,771 INFO [main.py:798]
{rank 0/64} MD step = 87800 step time: 00:00:00.143255 Performance: 66.751 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 00:36:01,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87800 17560 60.152 -32556 6592.8 -39149 -39149 -0.0003524 -0.00051431 -0.0007048 1.5265e+05 2024-05-08 00:36:17,417 INFO [main.py:798]
{rank 0/64} MD step = 87900 step time: 00:00:00.139230 Performance: 66.760 ns/day 0.359 hours/ns 3.863 steps/s 2024-05-08 00:36:23,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87900 17580 59.979 -32572 6573.8 -39146 -39146 -0.00024763 -0.00036193 0 1.528e+05 2024-05-08 00:36:38,086 INFO [main.py:798]
{rank 0/64} MD step = 88000 step time: 00:00:00.142280 Performance: 66.776 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 00:36:44,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88000 17600 60.464 -32635 6626.9 -39262 -39262 -0.00020001 -0.00041431 -0.00045717 1.5297e+05 2024-05-08 00:36:59,195 INFO [main.py:798]
{rank 0/64} MD step = 88100 step time: 00:00:00.140857 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 00:37:05,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88100 17620 60.332 -32488 6612.4 -39100 -39100 -0.00024763 -2.8573e-05 -0.0006667 1.5314e+05 2024-05-08 00:37:20,396 INFO [main.py:798]
{rank 0/64} MD step = 88200 step time: 00:00:00.145916 Performance: 66.803 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 00:37:28,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88200 17640 60.689 -32582 6651.6 -39234 -39234 -0.00040002 -0.00045717 -9.5243e-05 1.5328e+05 2024-05-08 00:37:43,960 INFO [main.py:798]
{rank 0/64} MD step = 88300 step time: 00:00:00.152959 Performance: 66.810 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 00:37:50,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88300 17660 60.528 -32567 6634 -39201 -39201 -0.00016191 -0.00046669 -0.00049527 1.5349e+05 2024-05-08 00:38:05,797 INFO [main.py:798]
{rank 0/64} MD step = 88400 step time: 00:00:00.151832 Performance: 66.822 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 00:38:11,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88400 17680 60.692 -32641 6651.9 -39293 -39293 -0.00033335 -0.00054289 -1.9049e-05 1.5364e+05 2024-05-08 00:38:26,751 INFO [main.py:798]
{rank 0/64} MD step = 88500 step time: 00:00:00.154229 Performance: 66.836 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 00:38:31,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88500 17700 60.665 -32467 6648.9 -39115 -39115 -0.00044288 -0.00073337 0 1.5384e+05 2024-05-08 00:38:48,133 INFO [main.py:798]
{rank 0/64} MD step = 88600 step time: 00:00:00.144890 Performance: 66.849 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 00:38:53,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88600 17720 60.24 -32608 6602.4 -39211 -39211 -0.00026668 -0.00059051 -0.00038097 1.5398e+05 2024-05-08 00:39:09,185 INFO [main.py:798]
{rank 0/64} MD step = 88700 step time: 00:00:00.149014 Performance: 66.863 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 00:39:15,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88700 17740 60.742 -32354 6657.4 -39012 -39012 -0.00030478 -0.00048574 4.7622e-05 1.5415e+05 2024-05-08 00:39:30,850 INFO [main.py:798]
{rank 0/64} MD step = 88800 step time: 00:00:00.152847 Performance: 66.875 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 00:40:37,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88800 17760 59.815 -32546 6555.8 -39102 -39102 -0.00021906 -0.00051431 -0.00040002 1.5433e+05 2024-05-08 00:40:52,480 INFO [main.py:798]
{rank 0/64} MD step = 88900 step time: 00:00:00.150757 Performance: 66.713 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 00:41:55,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88900 17780 59.827 -32539 6557.1 -39096 -39096 -0.00026668 -0.00041907 -0.00019049 1.545e+05 2024-05-08 00:42:11,309 INFO [main.py:798]
{rank 0/64} MD step = 89000 step time: 00:00:00.138977 Performance: 66.560 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 00:42:33,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89000 17800 59.821 -32529 6556.4 -39086 -39086 -0.00020954 -0.00059527 -9.5243e-05 1.5466e+05 2024-05-08 00:42:48,287 INFO [main.py:798]
{rank 0/64} MD step = 89100 step time: 00:00:00.143579 Performance: 66.529 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 00:42:56,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89100 17820 60.277 -32582 6606.4 -39189 -39189 -0.00015239 -0.00041431 -0.00062861 1.5483e+05 2024-05-08 00:43:10,809 INFO [main.py:798]
{rank 0/64} MD step = 89200 step time: 00:00:00.140236 Performance: 66.539 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 00:43:20,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89200 17840 59.986 -32514 6574.5 -39089 -39089 0.00013334 -0.00052384 -0.0004286 1.5501e+05 2024-05-08 00:43:34,920 INFO [main.py:798]
{rank 0/64} MD step = 89300 step time: 00:00:00.153454 Performance: 66.544 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 00:43:41,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89300 17860 59.027 -32623 6469.4 -39093 -39093 -0.00020001 -0.00060956 -0.0006048 1.5522e+05 2024-05-08 00:43:56,294 INFO [main.py:798]
{rank 0/64} MD step = 89400 step time: 00:00:00.145838 Performance: 66.557 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 00:44:03,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89400 17880 59.204 -32698 6488.9 -39186 -39186 -0.00064766 -0.00053336 -7.6195e-05 1.5536e+05 2024-05-08 00:44:18,552 INFO [main.py:798]
{rank 0/64} MD step = 89500 step time: 00:00:00.160704 Performance: 66.568 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 00:44:24,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89500 17900 60.126 -32436 6589.9 -39026 -39026 -0.00023811 -7.6195e-05 -0.00019049 1.5555e+05 2024-05-08 00:44:38,853 INFO [main.py:798]
{rank 0/64} MD step = 89600 step time: 00:00:00.158338 Performance: 66.584 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 00:44:46,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89600 17920 59.65 -32633 6537.7 -39171 -39171 -0.00052384 -0.00051431 -0.00058099 1.5569e+05 2024-05-08 00:45:02,508 INFO [main.py:798]
{rank 0/64} MD step = 89700 step time: 00:00:00.167219 Performance: 66.591 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:45:09,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89700 17940 60.082 -32593 6585 -39178 -39178 -0.00018096 -0.00040955 -0.00068575 1.5586e+05 2024-05-08 00:45:24,549 INFO [main.py:798]
{rank 0/64} MD step = 89800 step time: 00:00:00.162306 Performance: 66.602 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:45:38,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89800 17960 59.434 -32491 6514.1 -39005 -39005 -0.00044764 -0.00049527 -0.00060956 1.5605e+05 2024-05-08 00:45:53,577 INFO [main.py:798]
{rank 0/64} MD step = 89900 step time: 00:00:00.157925 Performance: 66.593 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:45:59,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89900 17980 60.439 -32455 6624.2 -39080 -39080 0.00038097 -0.00057146 -0.00060956 1.5622e+05 2024-05-08 00:46:14,725 INFO [main.py:798]
{rank 0/64} MD step = 90000 step time: 00:00:00.154151 Performance: 66.607 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 00:46:21,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90000 18000 59.281 -32637 6497.3 -39134 -39134 -0.00030954 -0.0006667 -0.0007429 1.5639e+05 2024-05-08 00:46:36,360 INFO [main.py:798]
{rank 0/64} MD step = 90100 step time: 00:00:00.148315 Performance: 66.619 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 00:46:44,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90100 18020 59.76 -32651 6549.7 -39201 -39201 -0.00025716 -0.00038097 -0.00049527 1.5656e+05 2024-05-08 00:46:59,776 INFO [main.py:798]
{rank 0/64} MD step = 90200 step time: 00:00:00.149335 Performance: 66.626 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:47:19,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90200 18040 60.28 -32376 6606.8 -38983 -38983 -0.00032383 -0.00047622 -0.00043812 1.5682e+05 2024-05-08 00:47:34,470 INFO [main.py:798]
{rank 0/64} MD step = 90300 step time: 00:00:00.142940 Performance: 66.601 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:47:49,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90300 18060 60.221 -32528 6600.3 -39128 -39128 -0.00029525 -0.00060956 -0.00063813 1.5694e+05 2024-05-08 00:48:10,230 INFO [main.py:798]
{rank 0/64} MD step = 90400 step time: 00:00:00.159279 Performance: 66.573 ns/day 0.361 hours/ns 3.853 steps/s 2024-05-08 00:48:16,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90400 18080 60.241 -32362 6602.5 -38964 -38964 -0.00019525 -9.5243e-05 -0.00065718 1.5713e+05 2024-05-08 00:48:31,692 INFO [main.py:798]
{rank 0/64} MD step = 90500 step time: 00:00:00.155434 Performance: 66.586 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 00:48:44,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90500 18100 59.815 -32610 6555.8 -39166 -39166 -0.00049527 -0.00051431 -0.00040002 1.5728e+05 2024-05-08 00:48:58,723 INFO [main.py:798]
{rank 0/64} MD step = 90600 step time: 00:00:00.157309 Performance: 66.583 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 00:49:05,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90600 18120 60.017 -32411 6577.9 -38988 -38988 8.5719e-05 -0.00068575 -2.8573e-05 1.5748e+05 2024-05-08 00:49:20,025 INFO [main.py:798]
{rank 0/64} MD step = 90700 step time: 00:00:00.154765 Performance: 66.596 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:49:28,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90700 18140 60.165 -32539 6594.2 -39133 -39133 0 -0.00030478 -0.00072385 1.5765e+05 2024-05-08 00:49:43,757 INFO [main.py:798]
{rank 0/64} MD step = 90800 step time: 00:00:00.150447 Performance: 66.602 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:49:52,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90800 18160 60.174 -32581 6595.1 -39176 -39176 7.6195e-05 -0.00058099 -0.00043336 1.5779e+05 2024-05-08 00:50:09,380 INFO [main.py:798]
{rank 0/64} MD step = 90900 step time: 00:00:00.158426 Performance: 66.603 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:50:17,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90900 18180 60.4 -32492 6619.9 -39112 -39112 -0.00015239 -0.00057146 -0.00011429 1.5796e+05 2024-05-08 00:50:36,918 INFO [main.py:798]
{rank 0/64} MD step = 91000 step time: 00:00:00.155688 Performance: 66.599 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:50:47,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91000 18200 60.55 -32659 6636.4 -39295 -39295 -1.9049e-05 -0.00022858 -0.00021906 1.581e+05 2024-05-08 00:51:02,188 INFO [main.py:798]
{rank 0/64} MD step = 91100 step time: 00:00:00.156670 Performance: 66.601 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 00:51:09,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91100 18220 61.024 -32533 6688.3 -39221 -39221 -0.00040002 -0.00053336 -0.00051431 1.583e+05 2024-05-08 00:51:24,782 INFO [main.py:798]
{rank 0/64} MD step = 91200 step time: 00:00:00.150080 Performance: 66.610 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 00:51:31,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91200 18240 59.863 -32616 6561.1 -39177 -39177 -0.00032859 -1.9049e-05 -0.00013334 1.5847e+05 2024-05-08 00:51:47,428 INFO [main.py:798]
{rank 0/64} MD step = 91300 step time: 00:00:00.163148 Performance: 66.619 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 00:51:54,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91300 18260 59.95 -32762 6570.6 -39333 -39333 -0.00030478 -0.00068575 -0.00072385 1.5861e+05 2024-05-08 00:52:09,032 INFO [main.py:798]
{rank 0/64} MD step = 91400 step time: 00:00:00.143361 Performance: 66.632 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:52:15,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91400 18280 59.825 -32590 6556.9 -39147 -39147 -0.00030478 0.00019287 -0.00068575 1.5885e+05 2024-05-08 00:52:30,970 INFO [main.py:798]
{rank 0/64} MD step = 91500 step time: 00:00:00.144530 Performance: 66.643 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:52:38,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91500 18300 58.871 -32796 6452.3 -39249 -39249 -0.0003524 -0.00045717 8.5719e-05 1.5898e+05 2024-05-08 00:52:53,782 INFO [main.py:798]
{rank 0/64} MD step = 91600 step time: 00:00:00.157644 Performance: 66.652 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:53:00,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91600 18320 58.931 -32683 6458.9 -39142 -39142 0.00019049 -0.0005286 -0.00020001 1.5917e+05 2024-05-08 00:53:16,403 INFO [main.py:798]
{rank 0/64} MD step = 91700 step time: 00:00:00.159949 Performance: 66.661 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:53:26,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91700 18340 58.974 -32714 6463.6 -39178 -39178 -0.00026668 -0.00045717 -0.00053336 1.5937e+05 2024-05-08 00:53:40,802 INFO [main.py:798]
{rank 0/64} MD step = 91800 step time: 00:00:00.142295 Performance: 66.665 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:54:00,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91800 18360 60.17 -32795 6594.7 -39390 -39390 9.5243e-05 -0.00057146 -0.00045717 1.5948e+05 2024-05-08 00:54:15,992 INFO [main.py:798]
{rank 0/64} MD step = 91900 step time: 00:00:00.157966 Performance: 66.639 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:54:29,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91900 18380 59.436 -32692 6514.2 -39206 -39206 -0.00032383 6.667e-05 -0.00028573 1.5966e+05 2024-05-08 00:54:49,011 INFO [main.py:798]
{rank 0/64} MD step = 92000 step time: 00:00:00.151951 Performance: 66.619 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 00:54:56,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92000 18400 59.189 -32650 6487.2 -39138 -39138 -0.00027621 -0.00049527 -0.00025716 1.5986e+05 2024-05-08 00:55:10,788 INFO [main.py:798]
{rank 0/64} MD step = 92100 step time: 00:00:00.142294 Performance: 66.631 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 00:55:17,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92100 18420 60.413 -32394 6621.4 -39015 -39015 -0.00021906 7.6195e-05 -0.00055241 1.6007e+05 2024-05-08 00:55:33,075 INFO [main.py:798]
{rank 0/64} MD step = 92200 step time: 00:00:00.142595 Performance: 66.641 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:55:43,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92200 18440 59.799 -32521 6554.1 -39075 -39075 -0.0003524 -0.00077147 -0.00023811 1.6022e+05 2024-05-08 00:55:58,569 INFO [main.py:798]
{rank 0/64} MD step = 92300 step time: 00:00:00.147221 Performance: 66.642 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:56:05,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92300 18460 60.204 -32553 6598.4 -39151 -39151 -0.00011429 -0.00066194 -9.5243e-05 1.6041e+05 2024-05-08 00:56:20,879 INFO [main.py:798]
{rank 0/64} MD step = 92400 step time: 00:00:00.144883 Performance: 66.652 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 00:56:27,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92400 18480 60.564 -32553 6637.9 -39191 -39191 3.8097e-05 -5.7146e-05 -9.5243e-06 1.6058e+05 2024-05-08 00:56:42,648 INFO [main.py:798]
{rank 0/64} MD step = 92500 step time: 00:00:00.148419 Performance: 66.664 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:56:48,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92500 18500 59.437 -32597 6514.4 -39112 -39112 -0.00011429 -0.00045717 -0.00049527 1.6074e+05 2024-05-08 00:57:04,229 INFO [main.py:798]
{rank 0/64} MD step = 92600 step time: 00:00:00.153716 Performance: 66.676 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:57:11,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92600 18520 60.619 -32520 6643.9 -39164 -39164 -0.00034288 -0.00060956 -0.00053336 1.6093e+05 2024-05-08 00:57:27,428 INFO [main.py:798]
{rank 0/64} MD step = 92700 step time: 00:00:00.155507 Performance: 66.684 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:57:35,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92700 18540 60.776 -32425 6661.1 -39086 -39086 0.00037145 -0.00040002 -3.8097e-05 1.6109e+05 2024-05-08 00:57:51,102 INFO [main.py:798]
{rank 0/64} MD step = 92800 step time: 00:00:00.155535 Performance: 66.690 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:58:00,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92800 18560 59.871 -32570 6561.9 -39132 -39132 -0.00018811 -0.00034764 1.9049e-05 1.6125e+05 2024-05-08 00:58:15,477 INFO [main.py:798]
{rank 0/64} MD step = 92900 step time: 00:00:00.161101 Performance: 66.694 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:58:20,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92900 18580 59.718 -32521 6545.2 -39066 -39066 -0.00012858 -0.00014763 -0.00060956 1.6144e+05 2024-05-08 00:58:38,867 INFO [main.py:798]
{rank 0/64} MD step = 93000 step time: 00:00:00.139370 Performance: 66.701 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 00:58:56,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93000 18600 60.788 -32456 6662.4 -39119 -39119 -0.00047622 -0.00053336 -6.667e-05 1.616e+05 2024-05-08 00:59:11,723 INFO [main.py:798]
{rank 0/64} MD step = 93100 step time: 00:00:00.142559 Performance: 66.682 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 00:59:31,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93100 18620 60.05 -32519 6581.6 -39100 -39100 -0.00034288 -0.00054289 -0.00011429 1.6176e+05 2024-05-08 00:59:46,261 INFO [main.py:798]
{rank 0/64} MD step = 93200 step time: 00:00:00.150293 Performance: 66.658 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 00:59:54,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93200 18640 59.696 -32611 6542.7 -39154 -39154 -0.00057146 -0.00036193 -3.8097e-05 1.6195e+05 2024-05-08 01:00:08,405 INFO [main.py:798]
{rank 0/64} MD step = 93300 step time: 00:00:00.136392 Performance: 66.668 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:00:18,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93300 18660 59.76 -32693 6549.8 -39243 -39243 -0.00040002 -0.00047622 0 1.6212e+05 2024-05-08 01:00:33,938 INFO [main.py:798]
{rank 0/64} MD step = 93400 step time: 00:00:00.151260 Performance: 66.670 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:00:40,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93400 18680 60.873 -32480 6671.7 -39152 -39152 -0.00015239 -0.00055241 -7.6195e-05 1.6232e+05 2024-05-08 01:00:56,413 INFO [main.py:798]
{rank 0/64} MD step = 93500 step time: 00:00:00.152025 Performance: 66.679 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:01:02,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93500 18700 59.844 -32566 6559 -39125 -39125 -0.00015239 -0.00030954 -0.00060003 1.6249e+05 2024-05-08 01:01:18,933 INFO [main.py:798]
{rank 0/64} MD step = 93600 step time: 00:00:00.158293 Performance: 66.688 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:01:26,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93600 18720 60.508 -32527 6631.7 -39159 -39159 -0.00049527 -0.00030478 9.5243e-06 1.6263e+05 2024-05-08 01:01:41,825 INFO [main.py:798]
{rank 0/64} MD step = 93700 step time: 00:00:00.157683 Performance: 66.697 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:01:48,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93700 18740 59.823 -32482 6556.6 -39038 -39038 -0.00043812 -0.00047622 -0.00028097 1.6279e+05 2024-05-08 01:02:03,951 INFO [main.py:798]
{rank 0/64} MD step = 93800 step time: 00:00:00.161784 Performance: 66.707 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:02:11,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93800 18760 60.26 -32563 6604.6 -39167 -39167 -0.00022858 -0.00049527 7.6195e-05 1.6299e+05 2024-05-08 01:02:26,980 INFO [main.py:798]
{rank 0/64} MD step = 93900 step time: 00:00:00.157817 Performance: 66.715 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:02:37,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93900 18780 60.32 -32494 6611.1 -39105 -39105 -0.00015239 -0.0006667 -0.00010477 1.6317e+05 2024-05-08 01:02:52,685 INFO [main.py:798]
{rank 0/64} MD step = 94000 step time: 00:00:00.158567 Performance: 66.715 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:03:04,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94000 18800 61.231 -32373 6711 -39084 -39084 -0.00041907 -0.00038097 -0.000781 1.6338e+05 2024-05-08 01:03:19,646 INFO [main.py:798]
{rank 0/64} MD step = 94100 step time: 00:00:00.140883 Performance: 66.713 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:03:41,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94100 18820 59.807 -32532 6555 -39087 -39087 -0.00040002 -0.00060956 -0.00049527 1.6355e+05 2024-05-08 01:03:56,535 INFO [main.py:798]
{rank 0/64} MD step = 94200 step time: 00:00:00.147941 Performance: 66.683 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:04:18,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94200 18840 59.098 -32733 6477.2 -39211 -39211 -0.00043812 -0.00036193 -0.00072385 1.6371e+05 2024-05-08 01:04:34,196 INFO [main.py:798]
{rank 0/64} MD step = 94300 step time: 00:00:00.163219 Performance: 66.650 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 01:04:41,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94300 18860 60.439 -32632 6624.2 -39256 -39256 -0.00011429 -0.00055241 -0.00015239 1.6387e+05 2024-05-08 01:04:56,148 INFO [main.py:798]
{rank 0/64} MD step = 94400 step time: 00:00:00.152551 Performance: 66.661 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:05:03,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94400 18880 60.32 -32638 6611.2 -39249 -39249 3.8097e-05 -0.00041907 -0.00027621 1.6404e+05 2024-05-08 01:05:18,550 INFO [main.py:798]
{rank 0/64} MD step = 94500 step time: 00:00:00.147892 Performance: 66.671 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:05:24,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94500 18900 58.827 -32773 6447.5 -39221 -39221 -0.00022858 -0.0006667 -6.667e-05 1.6421e+05 2024-05-08 01:05:39,648 INFO [main.py:798]
{rank 0/64} MD step = 94600 step time: 00:00:00.145269 Performance: 66.684 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:05:49,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94600 18920 60.13 -32616 6590.3 -39206 -39206 0.00026668 -0.00051431 -0.00057146 1.6436e+05 2024-05-08 01:06:04,350 INFO [main.py:798]
{rank 0/64} MD step = 94700 step time: 00:00:00.146585 Performance: 66.687 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:06:18,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94700 18940 59.86 -32526 6560.7 -39086 -39086 -0.00011429 0.00017144 -0.00053336 1.646e+05 2024-05-08 01:06:33,574 INFO [main.py:798]
{rank 0/64} MD step = 94800 step time: 00:00:00.159916 Performance: 66.678 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:06:39,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94800 18960 60.523 -32578 6633.4 -39212 -39212 -0.00032383 -0.00019049 -7.6195e-05 1.6472e+05 2024-05-08 01:06:54,672 INFO [main.py:798]
{rank 0/64} MD step = 94900 step time: 00:00:00.147652 Performance: 66.691 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:07:00,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94900 18980 60.906 -32476 6675.4 -39152 -39152 -0.0003524 -0.00032383 -0.00049527 1.649e+05 2024-05-08 01:07:14,845 INFO [main.py:798]
{rank 0/64} MD step = 95000 step time: 00:00:00.152843 Performance: 66.707 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:07:19,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95000 19000 60.525 -32507 6633.6 -39141 -39141 -0.0003905 -0.00038097 -0.00015239 1.6511e+05 2024-05-08 01:07:35,890 INFO [main.py:798]
{rank 0/64} MD step = 95100 step time: 00:00:00.158754 Performance: 66.720 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:07:43,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95100 19020 60.522 -32486 6633.3 -39119 -39119 -0.00019049 -0.0004905 -0.0003143 1.6528e+05 2024-05-08 01:07:58,035 INFO [main.py:798]
{rank 0/64} MD step = 95200 step time: 00:00:00.146059 Performance: 66.730 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 01:08:03,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95200 19040 60.948 -32543 6680 -39223 -39223 2.8573e-05 -0.00069528 -0.00056194 1.6545e+05 2024-05-08 01:08:18,764 INFO [main.py:798]
{rank 0/64} MD step = 95300 step time: 00:00:00.144583 Performance: 66.744 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 01:08:29,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95300 19060 60.398 -32583 6619.7 -39202 -39202 -0.00057146 -0.0004286 -3.8097e-05 1.6562e+05 2024-05-08 01:08:44,286 INFO [main.py:798]
{rank 0/64} MD step = 95400 step time: 00:00:00.165654 Performance: 66.745 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 01:09:06,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95400 19080 59.772 -32558 6551.1 -39109 -39109 -0.00026668 -0.00032383 -0.00057146 1.6583e+05 2024-05-08 01:09:20,980 INFO [main.py:798]
{rank 0/64} MD step = 95500 step time: 00:00:00.154972 Performance: 66.716 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:09:45,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95500 19100 60.473 -32647 6627.9 -39275 -39275 -0.00030478 -0.00043812 -0.00050479 1.6599e+05 2024-05-08 01:09:59,039 INFO [main.py:798]
{rank 0/64} MD step = 95600 step time: 00:00:00.144878 Performance: 66.683 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:10:13,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95600 19120 60.239 -32596 6602.2 -39198 -39198 -0.00049527 -0.00032383 -0.00045717 1.6618e+05 2024-05-08 01:10:27,480 INFO [main.py:798]
{rank 0/64} MD step = 95700 step time: 00:00:00.159725 Performance: 66.676 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:10:33,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95700 19140 60.39 -32400 6618.9 -39019 -39019 0.00032383 -0.00055241 1.9049e-05 1.6635e+05 2024-05-08 01:10:49,228 INFO [main.py:798]
{rank 0/64} MD step = 95800 step time: 00:00:00.164674 Performance: 66.688 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:10:58,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95800 19160 59.687 -32678 6541.8 -39220 -39220 -0.00051431 -0.00057146 -0.00029525 1.6649e+05 2024-05-08 01:11:13,101 INFO [main.py:798]
{rank 0/64} MD step = 95900 step time: 00:00:00.145082 Performance: 66.693 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:11:18,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95900 19180 59.442 -32610 6515 -39125 -39125 -0.00045717 -0.00046669 -0.00043812 1.6672e+05 2024-05-08 01:11:35,208 INFO [main.py:798]
{rank 0/64} MD step = 96000 step time: 00:00:00.143249 Performance: 66.703 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:11:43,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96000 19200 60.137 -32474 6591.1 -39065 -39065 -0.00019049 -0.00045717 -0.00065718 1.6689e+05 2024-05-08 01:11:58,902 INFO [main.py:798]
{rank 0/64} MD step = 96100 step time: 00:00:00.145543 Performance: 66.709 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:12:05,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96100 19220 60.105 -32521 6587.6 -39108 -39108 -0.00030478 -0.00058099 -0.00075242 1.6705e+05 2024-05-08 01:12:22,472 INFO [main.py:798]
{rank 0/64} MD step = 96200 step time: 00:00:00.149902 Performance: 66.716 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:12:31,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96200 19240 59.807 -32718 6554.9 -39273 -39273 0.00019049 -0.00038097 -0.00038097 1.6717e+05 2024-05-08 01:12:45,178 INFO [main.py:798]
{rank 0/64} MD step = 96300 step time: 00:00:00.143263 Performance: 66.724 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:12:55,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96300 19260 59.546 -32639 6526.3 -39165 -39165 9.0481e-05 -0.00027621 -0.00030478 1.6737e+05 2024-05-08 01:13:10,530 INFO [main.py:798]
{rank 0/64} MD step = 96400 step time: 00:00:00.142179 Performance: 66.726 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:13:18,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96400 19280 60.149 -32496 6592.4 -39089 -39089 -0.00051431 -0.00030478 1.4287e-05 1.6755e+05 2024-05-08 01:13:34,113 INFO [main.py:798]
{rank 0/64} MD step = 96500 step time: 00:00:00.136921 Performance: 66.732 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 01:13:41,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96500 19300 60.247 -32590 6603.2 -39193 -39193 -0.00020001 -0.00017144 -5.7146e-05 1.6772e+05 2024-05-08 01:13:58,187 INFO [main.py:798]
{rank 0/64} MD step = 96600 step time: 00:00:00.152402 Performance: 66.737 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 01:14:08,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96600 19320 59.581 -32658 6530.1 -39188 -39188 -0.00028573 -0.00034288 -0.00016191 1.6791e+05 2024-05-08 01:14:22,315 INFO [main.py:798]
{rank 0/64} MD step = 96700 step time: 00:00:00.143098 Performance: 66.741 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 01:14:45,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96700 19340 60.061 -32661 6582.8 -39244 -39244 -0.00026668 -0.00045717 -0.00019049 1.681e+05 2024-05-08 01:15:01,451 INFO [main.py:798]
{rank 0/64} MD step = 96800 step time: 00:00:00.150298 Performance: 66.706 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:15:19,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96800 19360 60.067 -32602 6583.5 -39186 -39186 -0.00053336 -0.00030478 -0.00022858 1.683e+05 2024-05-08 01:15:38,721 INFO [main.py:798]
{rank 0/64} MD step = 96900 step time: 00:00:00.140399 Performance: 66.676 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:15:48,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96900 19380 60.007 -32570 6576.9 -39147 -39147 -0.00036193 -0.00010477 -0.00011429 1.6848e+05 2024-05-08 01:16:03,099 INFO [main.py:798]
{rank 0/64} MD step = 97000 step time: 00:00:00.147579 Performance: 66.680 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:16:08,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97000 19400 60.271 -32500 6605.7 -39106 -39106 -0.00038097 -0.00021906 -0.00037145 1.6867e+05 2024-05-08 01:16:25,099 INFO [main.py:798]
{rank 0/64} MD step = 97100 step time: 00:00:00.133394 Performance: 66.690 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:16:36,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97100 19420 59.92 -32504 6567.3 -39072 -39072 -0.00021906 -0.00043812 -5.7146e-05 1.6885e+05 2024-05-08 01:16:51,605 INFO [main.py:798]
{rank 0/64} MD step = 97200 step time: 00:00:00.133874 Performance: 66.689 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:16:59,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97200 19440 60.091 -32487 6586.1 -39073 -39073 -0.00020954 -0.00063813 -0.00012382 1.6898e+05 2024-05-08 01:17:13,973 INFO [main.py:798]
{rank 0/64} MD step = 97300 step time: 00:00:00.137912 Performance: 66.698 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:17:20,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97300 19460 60.279 -32658 6606.7 -39265 -39265 -0.00016191 -0.00023811 -0.00061908 1.6916e+05 2024-05-08 01:17:35,233 INFO [main.py:798]
{rank 0/64} MD step = 97400 step time: 00:00:00.141838 Performance: 66.710 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:17:42,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97400 19480 59.888 -32604 6563.8 -39168 -39168 -0.00022858 -0.00022858 -0.00082862 1.6937e+05 2024-05-08 01:17:59,777 INFO [main.py:798]
{rank 0/64} MD step = 97500 step time: 00:00:00.141690 Performance: 66.714 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:18:07,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97500 19500 60.268 -32514 6605.4 -39119 -39119 -0.00019049 -0.00020954 -0.00012382 1.6958e+05 2024-05-08 01:18:23,334 INFO [main.py:798]
{rank 0/64} MD step = 97600 step time: 00:00:00.132723 Performance: 66.720 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:18:28,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97600 19520 60.967 -32508 6682 -39190 -39190 -1.9049e-05 -0.00045717 -0.00030478 1.6978e+05 2024-05-08 01:18:44,531 INFO [main.py:798]
{rank 0/64} MD step = 97700 step time: 00:00:00.142141 Performance: 66.733 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 01:18:51,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97700 19540 59.525 -32687 6524 -39211 -39211 -0.00036193 -0.00049527 -0.00041907 1.6996e+05 2024-05-08 01:19:06,678 INFO [main.py:798]
{rank 0/64} MD step = 97800 step time: 00:00:00.148836 Performance: 66.742 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 01:19:46,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97800 19560 59.574 -32458 6529.4 -38987 -38987 -0.00041907 -0.00040002 -0.0007048 1.7015e+05 2024-05-08 01:20:01,271 INFO [main.py:798]
{rank 0/64} MD step = 97900 step time: 00:00:00.145700 Performance: 66.667 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:20:12,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97900 19580 60.765 -32448 6659.9 -39108 -39108 5.7146e-05 -0.00050479 -0.00011429 1.7033e+05 2024-05-08 01:20:30,875 INFO [main.py:798]
{rank 0/64} MD step = 98000 step time: 00:00:00.148122 Performance: 66.657 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 01:20:37,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98000 19600 59.521 -32590 6523.5 -39113 -39113 0.00018096 -0.0006667 -0.00068575 1.7049e+05 2024-05-08 01:20:52,879 INFO [main.py:798]
{rank 0/64} MD step = 98100 step time: 00:00:00.159112 Performance: 66.668 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:21:00,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98100 19620 59.929 -32600 6568.3 -39168 -39168 -0.00040955 -0.00045717 -0.00024763 1.7066e+05 2024-05-08 01:21:14,775 INFO [main.py:798]
{rank 0/64} MD step = 98200 step time: 00:00:00.145755 Performance: 66.678 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:21:21,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98200 19640 59.966 -32695 6572.3 -39268 -39268 0.00024287 -0.00040002 -1.9049e-05 1.7083e+05 2024-05-08 01:21:35,966 INFO [main.py:798]
{rank 0/64} MD step = 98300 step time: 00:00:00.140549 Performance: 66.690 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:21:45,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98300 19660 60.737 -32706 6656.8 -39363 -39363 0.00043812 -0.00059051 0 1.71e+05 2024-05-08 01:22:00,114 INFO [main.py:798]
{rank 0/64} MD step = 98400 step time: 00:00:00.140802 Performance: 66.695 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:22:07,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98400 19680 59.747 -32557 6548.4 -39105 -39105 -0.00022858 -0.00028573 -0.00053336 1.7121e+05 2024-05-08 01:22:22,646 INFO [main.py:798]
{rank 0/64} MD step = 98500 step time: 00:00:00.148520 Performance: 66.704 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:22:31,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98500 19700 60.105 -32554 6587.5 -39141 -39141 -0.00041907 -0.00050479 -0.00010477 1.7138e+05 2024-05-08 01:22:47,756 INFO [main.py:798]
{rank 0/64} MD step = 98600 step time: 00:00:00.146408 Performance: 66.706 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:22:53,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98600 19720 59.265 -32709 6495.5 -39204 -39204 -0.00043812 -0.00068575 -0.00053336 1.7153e+05 2024-05-08 01:23:09,474 INFO [main.py:798]
{rank 0/64} MD step = 98700 step time: 00:00:00.146630 Performance: 66.717 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:23:17,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98700 19740 59.261 -32724 6495.1 -39219 -39219 -0.0003143 -0.00040478 -0.00055241 1.7171e+05 2024-05-08 01:23:32,274 INFO [main.py:798]
{rank 0/64} MD step = 98800 step time: 00:00:00.149488 Performance: 66.725 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:23:53,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98800 19760 60.497 -32495 6630.6 -39125 -39125 -0.00030478 -0.00041907 -0.00076195 1.7191e+05 2024-05-08 01:24:08,437 INFO [main.py:798]
{rank 0/64} MD step = 98900 step time: 00:00:00.156564 Performance: 66.698 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:24:28,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98900 19780 59.776 -32562 6551.6 -39114 -39114 -9.5243e-05 -0.00028573 -0.00056194 1.7207e+05 2024-05-08 01:24:43,564 INFO [main.py:798]
{rank 0/64} MD step = 99000 step time: 00:00:00.142309 Performance: 66.674 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:24:55,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99000 19800 60.694 -32597 6652.1 -39249 -39249 -4.7622e-05 -0.00035716 -0.00017144 1.7224e+05 2024-05-08 01:25:11,239 INFO [main.py:798]
{rank 0/64} MD step = 99100 step time: 00:00:00.145908 Performance: 66.670 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:25:20,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99100 19820 60.028 -32484 6579.2 -39063 -39063 -5.7146e-05 -0.0007048 -0.00048098 1.7243e+05 2024-05-08 01:25:36,257 INFO [main.py:798]
{rank 0/64} MD step = 99200 step time: 00:00:00.150821 Performance: 66.672 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:25:42,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99200 19840 60.067 -32487 6583.4 -39070 -39070 -0.00011429 -0.00027144 6.667e-05 1.7261e+05 2024-05-08 01:25:57,824 INFO [main.py:798]
{rank 0/64} MD step = 99300 step time: 00:00:00.147689 Performance: 66.683 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 01:26:04,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99300 19860 60.308 -32570 6609.8 -39180 -39180 -0.00047622 -0.00069528 -0.00043812 1.7278e+05 2024-05-08 01:26:19,487 INFO [main.py:798]
{rank 0/64} MD step = 99400 step time: 00:00:00.138613 Performance: 66.694 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:26:27,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99400 19880 60.044 -32622 6580.9 -39203 -39203 0.00036193 -0.00034288 -0.0007048 1.7291e+05 2024-05-08 01:26:43,699 INFO [main.py:798]
{rank 0/64} MD step = 99500 step time: 00:00:00.152838 Performance: 66.699 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:26:51,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99500 19900 60.524 -32499 6633.5 -39132 -39132 -0.00043812 -0.00022858 2.8573e-05 1.731e+05 2024-05-08 01:27:07,317 INFO [main.py:798]
{rank 0/64} MD step = 99600 step time: 00:00:00.148967 Performance: 66.705 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:27:14,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99600 19920 60.339 -32382 6613.2 -38995 -38995 -0.00019049 -0.00048574 -0.0004286 1.7333e+05 2024-05-08 01:27:31,401 INFO [main.py:798]
{rank 0/64} MD step = 99700 step time: 00:00:00.135863 Performance: 66.709 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 01:27:41,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99700 19940 59.181 -32717 6486.3 -39204 -39204 0.00013334 -0.00051431 -0.00062861 1.7348e+05 2024-05-08 01:27:56,781 INFO [main.py:798]
{rank 0/64} MD step = 99800 step time: 00:00:00.139763 Performance: 66.711 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:28:06,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99800 19960 59.234 -32682 6492.1 -39174 -39174 -0.00019049 -0.00028573 3.0954e-05 1.7369e+05 2024-05-08 01:28:22,426 INFO [main.py:798]
{rank 0/64} MD step = 99900 step time: 00:00:00.146497 Performance: 66.711 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 01:28:47,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99900 19980 60.598 -32718 6641.6 -39360 -39360 -1.9049e-05 -0.00059051 0.00011429 1.7385e+05 2024-05-08 01:29:03,147 INFO [main.py:798]
{rank 0/64} MD step = 100000 step time: 00:00:00.133698 Performance: 66.673 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:29:22,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100000 20000 59.951 -32565 6570.7 -39136 -39136 -0.00053336 -0.00049527 -0.00020954 1.7407e+05 2024-05-08 01:29:37,851 INFO [main.py:798]
{rank 0/64} MD step = 100100 step time: 00:00:00.134700 Performance: 66.651 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 01:29:47,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100100 20020 61.059 -32487 6692.1 -39179 -39179 -0.00038097 -0.00053336 -0.00017144 1.7425e+05 2024-05-08 01:30:02,693 INFO [main.py:798]
{rank 0/64} MD step = 100200 step time: 00:00:00.139190 Performance: 66.653 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 01:30:12,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100200 20040 60.464 -32446 6626.9 -39073 -39073 -0.00019049 -0.00060956 9.5243e-05 1.7445e+05 2024-05-08 01:30:28,257 INFO [main.py:798]
{rank 0/64} MD step = 100300 step time: 00:00:00.154087 Performance: 66.654 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 01:30:37,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100300 20060 59.958 -32738 6571.5 -39309 -39309 -0.00034288 -0.00013334 -0.00060956 1.7458e+05 2024-05-08 01:30:52,151 INFO [main.py:798]
{rank 0/64} MD step = 100400 step time: 00:00:00.154815 Performance: 66.660 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:30:58,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100400 20080 60.035 -32590 6579.9 -39170 -39170 -0.00032383 -0.00055717 -8.5719e-05 1.7478e+05 2024-05-08 01:31:13,384 INFO [main.py:798]
{rank 0/64} MD step = 100500 step time: 00:00:00.133297 Performance: 66.672 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:31:26,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100500 20100 60.231 -32571 6601.4 -39172 -39172 -0.00045717 -0.00038097 -2.8573e-05 1.7498e+05 2024-05-08 01:31:41,278 INFO [main.py:798]
{rank 0/64} MD step = 100600 step time: 00:00:00.134619 Performance: 66.667 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:31:55,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100600 20120 59.801 -32521 6554.3 -39076 -39076 -0.00028573 -0.00047622 -0.00040955 1.7516e+05 2024-05-08 01:32:11,890 INFO [main.py:798]
{rank 0/64} MD step = 100700 step time: 00:00:00.142847 Performance: 66.655 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 01:32:19,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100700 20140 59.672 -32595 6540.1 -39135 -39135 -0.00022858 -0.0005286 -0.00063813 1.753e+05 2024-05-08 01:32:34,338 INFO [main.py:798]
{rank 0/64} MD step = 100800 step time: 00:00:00.140215 Performance: 66.663 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:32:43,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100800 20160 60.143 -32723 6591.8 -39314 -39314 -0.00021906 -0.00057146 -0.00019049 1.7548e+05 2024-05-08 01:32:59,476 INFO [main.py:798]
{rank 0/64} MD step = 100900 step time: 00:00:00.140195 Performance: 66.665 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:33:21,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100900 20180 60.502 -32555 6631.1 -39186 -39186 -0.0003905 -0.00018096 -3.8097e-05 1.7566e+05 2024-05-08 01:33:37,365 INFO [main.py:798]
{rank 0/64} MD step = 101000 step time: 00:00:00.163125 Performance: 66.635 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 01:34:04,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101000 20200 59.307 -32654 6500.2 -39155 -39155 -0.00026668 -0.00036193 -0.00064766 1.7584e+05 2024-05-08 01:34:18,853 INFO [main.py:798]
{rank 0/64} MD step = 101100 step time: 00:00:00.144611 Performance: 66.595 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 01:34:31,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101100 20220 60.178 -32554 6595.6 -39150 -39150 -0.00053336 -0.00019049 -0.00063813 1.7605e+05 2024-05-08 01:34:48,309 INFO [main.py:798]
{rank 0/64} MD step = 101200 step time: 00:00:00.145568 Performance: 66.587 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 01:35:02,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101200 20240 60.218 -32546 6599.9 -39146 -39146 -0.00041907 -0.00036193 -0.00076195 1.7621e+05 2024-05-08 01:35:17,731 INFO [main.py:798]
{rank 0/64} MD step = 101300 step time: 00:00:00.152028 Performance: 66.578 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 01:35:25,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101300 20260 59.724 -32582 6545.8 -39127 -39127 -0.00038097 -0.00049527 -0.0003524 1.7638e+05 2024-05-08 01:35:40,768 INFO [main.py:798]
{rank 0/64} MD step = 101400 step time: 00:00:00.153109 Performance: 66.585 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 01:35:49,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101400 20280 60.368 -32471 6616.4 -39088 -39088 -0.00041907 -0.00041907 -0.00015239 1.7656e+05 2024-05-08 01:36:04,670 INFO [main.py:798]
{rank 0/64} MD step = 101500 step time: 00:00:00.148223 Performance: 66.590 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 01:36:09,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101500 20300 59.839 -32536 6558.4 -39095 -39095 -0.00033335 -0.00062861 -0.00061908 1.7671e+05 2024-05-08 01:36:26,940 INFO [main.py:798]
{rank 0/64} MD step = 101600 step time: 00:00:00.141813 Performance: 66.600 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 01:36:37,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101600 20320 60.852 -32502 6669.5 -39172 -39172 -0.00030478 -0.00053336 -0.00062861 1.7688e+05 2024-05-08 01:36:53,324 INFO [main.py:798]
{rank 0/64} MD step = 101700 step time: 00:00:00.149670 Performance: 66.598 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 01:37:05,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101700 20340 60.892 -32271 6673.9 -38945 -38945 -0.00030954 -0.0006048 -0.00041907 1.7708e+05 2024-05-08 01:37:20,586 INFO [main.py:798]
{rank 0/64} MD step = 101800 step time: 00:00:00.144203 Performance: 66.595 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 01:37:29,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101800 20360 59.527 -32588 6524.3 -39112 -39112 -0.00026668 -0.00017144 -6.667e-05 1.7722e+05 2024-05-08 01:37:45,152 INFO [main.py:798]
{rank 0/64} MD step = 101900 step time: 00:00:00.154150 Performance: 66.599 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 01:38:06,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101900 20380 58.826 -32772 6447.4 -39219 -39219 -0.00030478 -0.00055241 -0.00062861 1.774e+05 2024-05-08 01:38:21,148 INFO [main.py:798]
{rank 0/64} MD step = 102000 step time: 00:00:00.149695 Performance: 66.573 ns/day 0.361 hours/ns 3.853 steps/s 2024-05-08 01:38:40,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102000 20400 59.951 -32567 6570.7 -39137 -39137 -0.00024763 -0.00038097 -0.00063813 1.7756e+05 2024-05-08 01:38:55,679 INFO [main.py:798]
{rank 0/64} MD step = 102100 step time: 00:00:00.153234 Performance: 66.552 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 01:39:02,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102100 20420 60.381 -32593 6617.8 -39211 -39211 0 -0.00060956 -0.00072385 1.7771e+05 2024-05-08 01:39:20,634 INFO [main.py:798]
{rank 0/64} MD step = 102200 step time: 00:00:00.139694 Performance: 66.554 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 01:39:27,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102200 20440 60.314 -32461 6610.5 -39072 -39072 -0.00036193 -0.00025716 -0.00017144 1.7789e+05 2024-05-08 01:39:42,757 INFO [main.py:798]
{rank 0/64} MD step = 102300 step time: 00:00:00.145474 Performance: 66.564 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 01:39:52,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102300 20460 60.049 -32555 6581.5 -39137 -39137 -0.00047622 -0.00032383 -3.8097e-05 1.7808e+05 2024-05-08 01:40:07,570 INFO [main.py:798]
{rank 0/64} MD step = 102400 step time: 00:00:00.137602 Performance: 66.567 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 01:40:15,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102400 20480 59.653 -32590 6538.1 -39128 -39128 -0.00038097 -0.00059051 -0.00056194 1.7825e+05 2024-05-08 01:40:31,666 INFO [main.py:798]
{rank 0/64} MD step = 102500 step time: 00:00:00.154240 Performance: 66.572 ns/day 0.361 hours/ns 3.853 steps/s 2024-05-08 01:40:40,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102500 20500 59.697 -32709 6542.8 -39252 -39252 7.6195e-05 -0.00032383 -0.00034288 1.7841e+05 2024-05-08 01:40:56,243 INFO [main.py:798]
{rank 0/64} MD step = 102600 step time: 00:00:00.154620 Performance: 66.575 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 01:41:06,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102600 20520 59.481 -32569 6519.2 -39088 -39088 -0.00026668 -0.00054289 -0.00047622 1.786e+05 2024-05-08 01:41:24,140 INFO [main.py:798]
{rank 0/64} MD step = 102700 step time: 00:00:00.148267 Performance: 66.570 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 01:41:35,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102700 20540 60.381 -32526 6617.8 -39143 -39143 9.5243e-05 -0.0007048 -0.00026668 1.7879e+05 2024-05-08 01:41:50,753 INFO [main.py:798]
{rank 0/64} MD step = 102800 step time: 00:00:00.141383 Performance: 66.568 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 01:42:04,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102800 20560 60.221 -32593 6600.2 -39194 -39194 -0.00017144 -0.00024763 -0.00076195 1.7896e+05 2024-05-08 01:42:20,249 INFO [main.py:798]
{rank 0/64} MD step = 102900 step time: 00:00:00.160436 Performance: 66.560 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 01:42:37,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102900 20580 59.614 -32742 6533.7 -39275 -39275 -0.00034288 -0.00059051 -0.00020954 1.7914e+05 2024-05-08 01:42:59,729 INFO [main.py:798]
{rank 0/64} MD step = 103000 step time: 00:00:00.133925 Performance: 66.526 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 01:43:21,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103000 20600 58.86 -32765 6451.1 -39216 -39216 -0.00027144 0 -5.7146e-05 1.7928e+05 2024-05-08 01:43:37,913 INFO [main.py:798]
{rank 0/64} MD step = 103100 step time: 00:00:00.143721 Performance: 66.496 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 01:43:45,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103100 20620 60.211 -32539 6599.2 -39138 -39138 -0.00041907 -0.00060956 -0.00012382 1.7949e+05 2024-05-08 01:44:00,416 INFO [main.py:798]
{rank 0/64} MD step = 103200 step time: 00:00:00.140593 Performance: 66.504 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 01:44:08,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103200 20640 59.676 -32559 6540.5 -39099 -39099 -0.00066194 -0.00055241 -0.00072385 1.7965e+05 2024-05-08 01:44:23,553 INFO [main.py:798]
{rank 0/64} MD step = 103300 step time: 00:00:00.153079 Performance: 66.511 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 01:44:33,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103300 20660 59.78 -32590 6551.9 -39142 -39142 -0.00038097 -0.00027144 -0.00036193 1.7982e+05 2024-05-08 01:44:51,868 INFO [main.py:798]
{rank 0/64} MD step = 103400 step time: 00:00:00.155465 Performance: 66.506 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 01:45:02,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103400 20680 59.215 -32718 6490 -39208 -39208 -0.0003524 -0.00039526 -0.00063813 1.7996e+05 2024-05-08 01:45:17,506 INFO [main.py:798]
{rank 0/64} MD step = 103500 step time: 00:00:00.141401 Performance: 66.506 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 01:45:27,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103500 20700 59.785 -32451 6552.5 -39004 -39004 -0.00041907 -0.00051431 9.5243e-06 1.8016e+05 2024-05-08 01:45:43,771 INFO [main.py:798]
{rank 0/64} MD step = 103600 step time: 00:00:00.174383 Performance: 66.506 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 01:45:50,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103600 20720 59.797 -32689 6553.8 -39243 -39243 -0.00019049 -0.00061908 -0.00045717 1.8031e+05 2024-05-08 01:46:05,535 INFO [main.py:798]
{rank 0/64} MD step = 103700 step time: 00:00:00.172930 Performance: 66.516 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 01:46:18,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103700 20740 60.217 -32537 6599.8 -39137 -39137 -0.00026668 -0.00062861 -0.00043336 1.805e+05 2024-05-08 01:46:33,737 INFO [main.py:798]
{rank 0/64} MD step = 103800 step time: 00:00:00.151795 Performance: 66.511 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 01:46:50,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103800 20760 60.063 -32411 6583 -38994 -38994 -0.00038097 -0.00011429 -0.00075242 1.8065e+05 2024-05-08 01:47:05,203 INFO [main.py:798]
{rank 0/64} MD step = 103900 step time: 00:00:00.151263 Performance: 66.497 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 01:47:26,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103900 20780 60.114 -32568 6588.6 -39157 -39157 -0.00017144 -0.00050955 -3.8097e-05 1.8081e+05 2024-05-08 01:47:40,300 INFO [main.py:798]
{rank 0/64} MD step = 104000 step time: 00:00:00.150491 Performance: 66.475 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 01:47:52,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104000 20800 60.144 -32682 6591.9 -39273 -39273 -0.0002524 -0.00019049 -0.00070004 1.8096e+05 2024-05-08 01:48:08,044 INFO [main.py:798]
{rank 0/64} MD step = 104100 step time: 00:00:00.148102 Performance: 66.471 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 01:48:20,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104100 20820 59.696 -32514 6542.7 -39057 -39057 -0.00045717 -0.00059051 -1.9049e-05 1.8119e+05 2024-05-08 01:48:35,649 INFO [main.py:798]
{rank 0/64} MD step = 104200 step time: 00:00:00.166405 Performance: 66.467 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 01:48:51,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104200 20840 59.974 -32729 6573.2 -39302 -39302 -0.00054289 -0.00057146 -0.00028573 1.8135e+05 2024-05-08 01:49:07,634 INFO [main.py:798]
{rank 0/64} MD step = 104300 step time: 00:00:00.149415 Performance: 66.452 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 01:49:16,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104300 20860 59.695 -32673 6542.7 -39216 -39216 -0.00052384 3.8097e-05 -0.00057146 1.8153e+05 2024-05-08 01:49:31,347 INFO [main.py:798]
{rank 0/64} MD step = 104400 step time: 00:00:00.154990 Performance: 66.457 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 01:49:44,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104400 20880 59.523 -32759 6523.8 -39283 -39283 -0.00030478 -0.00041907 -7.6195e-05 1.817e+05 2024-05-08 01:49:58,787 INFO [main.py:798]
{rank 0/64} MD step = 104500 step time: 00:00:00.137253 Performance: 66.454 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 01:50:15,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104500 20900 59.91 -32683 6566.2 -39249 -39249 -0.0003905 -0.00047146 -1.9049e-05 1.8187e+05 2024-05-08 01:50:31,083 INFO [main.py:798]
{rank 0/64} MD step = 104600 step time: 00:00:00.152925 Performance: 66.439 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 01:50:41,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104600 20920 60.061 -32506 6582.8 -39089 -39089 -0.00037145 -0.00057146 -0.00064766 1.8207e+05 2024-05-08 01:50:56,155 INFO [main.py:798]
{rank 0/64} MD step = 104700 step time: 00:00:00.158054 Performance: 66.441 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 01:51:07,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104700 20940 60.543 -32532 6635.6 -39168 -39168 -0.00038097 -0.00026668 -0.00060956 1.8226e+05 2024-05-08 01:51:23,127 INFO [main.py:798]
{rank 0/64} MD step = 104800 step time: 00:00:00.173535 Performance: 66.439 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 01:51:48,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104800 20960 60.499 -32634 6630.8 -39265 -39265 -0.00023097 -0.00036193 -0.00017144 1.8245e+05 2024-05-08 01:52:04,066 INFO [main.py:798]
{rank 0/64} MD step = 104900 step time: 00:00:00.159379 Performance: 66.402 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 01:52:27,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104900 20980 59.4 -32731 6510.3 -39241 -39241 -0.00038097 -0.00045717 -0.00055241 1.8264e+05 2024-05-08 01:52:43,190 INFO [main.py:798]
{rank 0/64} MD step = 105000 step time: 00:00:00.144949 Performance: 66.370 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 01:52:52,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105000 21000 59.795 -32640 6553.6 -39194 -39194 -0.00033335 -0.00060956 3.8097e-05 1.8282e+05 2024-05-08 01:53:07,456 INFO [main.py:798]
{rank 0/64} MD step = 105100 step time: 00:00:00.138876 Performance: 66.375 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 01:53:16,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105100 21020 59.909 -32508 6566.1 -39074 -39074 -0.00028573 -0.00053336 -0.00072385 1.8301e+05 2024-05-08 01:53:31,561 INFO [main.py:798]
{rank 0/64} MD step = 105200 step time: 00:00:00.149911 Performance: 66.379 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 01:53:41,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105200 21040 59.522 -32615 6523.7 -39139 -39139 -0.00049527 -0.00053336 -7.6195e-05 1.8318e+05 2024-05-08 01:53:55,908 INFO [main.py:798]
{rank 0/64} MD step = 105300 step time: 00:00:00.141472 Performance: 66.383 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 01:54:04,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105300 21060 60.696 -32507 6652.4 -39159 -39159 -0.00022858 -0.00041907 -0.00017144 1.8332e+05 2024-05-08 01:54:19,710 INFO [main.py:798]
{rank 0/64} MD step = 105400 step time: 00:00:00.147979 Performance: 66.389 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 01:54:26,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105400 21080 59.504 -32631 6521.7 -39153 -39153 -0.00034288 -0.00048574 -0.00020001 1.8351e+05 2024-05-08 01:54:41,692 INFO [main.py:798]
{rank 0/64} MD step = 105500 step time: 00:00:00.151645 Performance: 66.399 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 01:54:52,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105500 21100 61.02 -32437 6687.9 -39125 -39125 -0.00041907 -0.00050479 -0.00059051 1.8371e+05 2024-05-08 01:55:07,161 INFO [main.py:798]
{rank 0/64} MD step = 105600 step time: 00:00:00.155131 Performance: 66.400 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 01:55:12,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105600 21120 59.675 -32537 6540.5 -39077 -39077 -0.00045717 -0.00040955 4.7622e-05 1.8386e+05 2024-05-08 01:55:30,481 INFO [main.py:798]
{rank 0/64} MD step = 105700 step time: 00:00:00.158827 Performance: 66.406 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 01:55:40,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105700 21140 60.218 -32540 6600 -39141 -39141 -0.00034288 -0.00047622 -0.00012382 1.8403e+05 2024-05-08 01:55:56,658 INFO [main.py:798]
{rank 0/64} MD step = 105800 step time: 00:00:00.144716 Performance: 66.406 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 01:56:23,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105800 21160 60.298 -32613 6608.8 -39221 -39221 -0.00024763 -0.00056194 -0.00024763 1.8418e+05 2024-05-08 01:56:38,111 INFO [main.py:798]
{rank 0/64} MD step = 105900 step time: 00:00:00.136832 Performance: 66.369 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 01:57:02,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105900 21180 61.089 -32473 6695.4 -39168 -39168 -0.00054289 -0.00051431 -0.00027144 1.8438e+05 2024-05-08 01:57:16,639 INFO [main.py:798]
{rank 0/64} MD step = 106000 step time: 00:00:00.152712 Performance: 66.339 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 01:57:26,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106000 21200 59.76 -32585 6549.8 -39135 -39135 -0.00047622 -0.00055241 -0.00017144 1.8453e+05 2024-05-08 01:57:41,538 INFO [main.py:798]
{rank 0/64} MD step = 106100 step time: 00:00:00.150687 Performance: 66.342 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 01:57:50,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106100 21220 61.017 -32441 6687.5 -39128 -39128 -0.00043812 -0.00054289 -0.00015239 1.8469e+05 2024-05-08 01:58:05,403 INFO [main.py:798]
{rank 0/64} MD step = 106200 step time: 00:00:00.142505 Performance: 66.347 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 01:58:14,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106200 21240 60.324 -32648 6611.6 -39259 -39259 0.00016191 -0.00041907 -3.8097e-05 1.8488e+05 2024-05-08 01:58:29,461 INFO [main.py:798]
{rank 0/64} MD step = 106300 step time: 00:00:00.141697 Performance: 66.352 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 01:58:37,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106300 21260 59.996 -32655 6575.6 -39231 -39231 -0.0002143 -0.00034288 0 1.8507e+05 2024-05-08 01:58:52,273 INFO [main.py:798]
{rank 0/64} MD step = 106400 step time: 00:00:00.148404 Performance: 66.359 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 01:59:01,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106400 21280 60.449 -32491 6625.3 -39116 -39116 -0.00052384 -0.00033335 -0.00040002 1.8526e+05 2024-05-08 01:59:15,936 INFO [main.py:798]
{rank 0/64} MD step = 106500 step time: 00:00:00.143063 Performance: 66.365 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 01:59:23,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106500 21300 59.675 -32653 6540.4 -39193 -39193 -0.00024763 -0.00049527 -0.00016191 1.854e+05 2024-05-08 01:59:38,790 INFO [main.py:798]
{rank 0/64} MD step = 106600 step time: 00:00:00.145976 Performance: 66.373 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 01:59:45,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106600 21320 59.453 -32693 6516.1 -39209 -39209 -0.00040002 -0.00083814 -0.00068575 1.8557e+05 2024-05-08 02:00:00,791 INFO [main.py:798]
{rank 0/64} MD step = 106700 step time: 00:00:00.159234 Performance: 66.382 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 02:00:09,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106700 21340 59.33 -32517 6502.7 -39019 -39019 -0.00045717 -0.00011429 -0.00041907 1.8577e+05 2024-05-08 02:00:24,990 INFO [main.py:798]
{rank 0/64} MD step = 106800 step time: 00:00:00.153249 Performance: 66.387 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 02:00:42,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106800 21360 60.647 -32573 6647 -39220 -39220 -0.00013334 -0.00045717 -0.00016191 1.8589e+05 2024-05-08 02:00:58,059 INFO [main.py:798]
{rank 0/64} MD step = 106900 step time: 00:00:00.146652 Performance: 66.370 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 02:01:19,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106900 21380 60.068 -32430 6583.5 -39013 -39013 -0.00021906 -0.00040002 -0.0003143 1.8609e+05 2024-05-08 02:01:34,874 INFO [main.py:798]
{rank 0/64} MD step = 107000 step time: 00:00:00.152460 Performance: 66.344 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 02:01:47,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107000 21400 59.322 -32657 6501.7 -39158 -39158 -0.00026668 -0.00047622 -0.00014287 1.8624e+05 2024-05-08 02:02:02,006 INFO [main.py:798]
{rank 0/64} MD step = 107100 step time: 00:00:00.141634 Performance: 66.342 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 02:02:09,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107100 21420 60.009 -32641 6577 -39218 -39218 -0.00050479 -0.00059051 0 1.8642e+05 2024-05-08 02:02:24,683 INFO [main.py:798]
{rank 0/64} MD step = 107200 step time: 00:00:00.152813 Performance: 66.350 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 02:02:33,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107200 21440 60.396 -32629 6619.5 -39248 -39248 -0.00053336 -0.00053336 -0.00060956 1.8656e+05 2024-05-08 02:02:47,591 INFO [main.py:798]
{rank 0/64} MD step = 107300 step time: 00:00:00.141475 Performance: 66.357 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 02:02:52,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107300 21460 60.069 -32669 6583.6 -39252 -39252 -0.00034288 -0.00072385 -0.00022858 1.8675e+05 2024-05-08 02:03:09,336 INFO [main.py:798]
{rank 0/64} MD step = 107400 step time: 00:00:00.139340 Performance: 66.367 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 02:03:17,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107400 21480 59.732 -32685 6546.7 -39232 -39232 -5.7146e-05 -0.00036193 -0.00019049 1.8692e+05 2024-05-08 02:03:33,193 INFO [main.py:798]
{rank 0/64} MD step = 107500 step time: 00:00:00.154188 Performance: 66.372 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 02:03:42,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107500 21500 60.44 -32523 6624.3 -39147 -39147 -0.00020001 -7.6195e-05 -0.00057146 1.871e+05 2024-05-08 02:03:57,940 INFO [main.py:798]
{rank 0/64} MD step = 107600 step time: 00:00:00.149951 Performance: 66.376 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 02:04:05,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107600 21520 59.9 -32382 6565.2 -38947 -38947 -0.00022858 -0.00066194 -0.00068575 1.8728e+05 2024-05-08 02:04:20,864 INFO [main.py:798]
{rank 0/64} MD step = 107700 step time: 00:00:00.157338 Performance: 66.383 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 02:04:27,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107700 21540 60.028 -32422 6579.1 -39001 -39001 -0.00026668 -0.00056194 -0.00038097 1.8745e+05 2024-05-08 02:04:43,193 INFO [main.py:798]
{rank 0/64} MD step = 107800 step time: 00:00:00.157619 Performance: 66.392 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-08 02:04:49,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107800 21560 59.402 -32424 6510.5 -38935 -38935 -0.0003905 -0.00059051 -0.00064766 1.8763e+05 2024-05-08 02:05:06,691 INFO [main.py:798]
{rank 0/64} MD step = 107900 step time: 00:00:00.143884 Performance: 66.398 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-08 02:05:25,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107900 21580 60.173 -32553 6595.1 -39148 -39148 -0.00030478 -0.00050003 -0.00022858 1.8777e+05 2024-05-08 02:05:40,663 INFO [main.py:798]
{rank 0/64} MD step = 108000 step time: 00:00:00.142016 Performance: 66.379 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 02:05:58,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108000 21600 60.778 -32318 6661.3 -38979 -38979 -0.00049527 -0.00034288 -0.00011429 1.8799e+05 2024-05-08 02:06:14,632 INFO [main.py:798]
{rank 0/64} MD step = 108100 step time: 00:00:00.142436 Performance: 66.360 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 02:06:25,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108100 21620 60.271 -32571 6605.8 -39177 -39177 -0.00025716 7.6195e-05 -8.5719e-05 1.8813e+05 2024-05-08 02:06:41,016 INFO [main.py:798]
{rank 0/64} MD step = 108200 step time: 00:00:00.146880 Performance: 66.359 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 02:06:53,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108200 21640 60.714 -32457 6654.3 -39111 -39111 -5.7146e-05 -0.0005667 -0.00049527 1.8831e+05 2024-05-08 02:07:09,120 INFO [main.py:798]
{rank 0/64} MD step = 108300 step time: 00:00:00.145790 Performance: 66.354 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 02:07:22,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108300 21660 60.487 -32448 6629.4 -39077 -39077 -0.00026668 -0.00046193 -0.00072385 1.8852e+05 2024-05-08 02:07:39,632 INFO [main.py:798]
{rank 0/64} MD step = 108400 step time: 00:00:00.135349 Performance: 66.344 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 02:07:50,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108400 21680 60.886 -32575 6673.1 -39248 -39248 0.00018096 -0.00040955 -0.00032383 1.8865e+05 2024-05-08 02:08:05,771 INFO [main.py:798]
{rank 0/64} MD step = 108500 step time: 00:00:00.135330 Performance: 66.344 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 02:08:15,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108500 21700 60.544 -32633 6635.7 -39268 -39268 -0.00041907 -0.00015239 -0.00029049 1.8882e+05 2024-05-08 02:08:30,222 INFO [main.py:798]
{rank 0/64} MD step = 108600 step time: 00:00:00.141073 Performance: 66.348 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 02:08:39,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108600 21720 61.003 -32580 6686 -39266 -39266 -0.00038097 8.0957e-05 -0.00026668 1.8899e+05 2024-05-08 02:08:54,619 INFO [main.py:798]
{rank 0/64} MD step = 108700 step time: 00:00:00.137057 Performance: 66.351 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 02:09:04,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108700 21740 60.099 -32489 6586.9 -39076 -39076 -4.7622e-05 -0.00045717 -0.00047622 1.892e+05 2024-05-08 02:09:19,538 INFO [main.py:798]
{rank 0/64} MD step = 108800 step time: 00:00:00.136514 Performance: 66.354 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 02:09:44,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108800 21760 60.211 -32528 6599.2 -39127 -39127 -0.00024763 -0.00033335 -0.00068575 1.894e+05 2024-05-08 02:10:00,041 INFO [main.py:798]
{rank 0/64} MD step = 108900 step time: 00:00:00.136633 Performance: 66.320 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-08 02:10:20,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108900 21780 60.211 -32516 6599.2 -39115 -39115 -0.00076195 -0.0005667 -0.00011429 1.8959e+05 2024-05-08 02:10:35,669 INFO [main.py:798]
{rank 0/64} MD step = 109000 step time: 00:00:00.149153 Performance: 66.298 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-08 02:10:54,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109000 21800 59.029 -32756 6469.6 -39226 -39226 -0.00047622 0 -0.00026668 1.8972e+05 2024-05-08 02:11:08,717 INFO [main.py:798]
{rank 0/64} MD step = 109100 step time: 00:00:00.147854 Performance: 66.282 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 02:11:19,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109100 21820 59.675 -32472 6540.5 -39012 -39012 0.00016191 -0.00038097 3.8097e-05 1.8992e+05 2024-05-08 02:11:34,095 INFO [main.py:798]
{rank 0/64} MD step = 109200 step time: 00:00:00.136940 Performance: 66.283 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 02:11:46,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109200 21840 60.188 -32511 6596.7 -39108 -39108 -0.00020954 -0.00048574 -0.00063813 1.9006e+05 2024-05-08 02:12:01,196 INFO [main.py:798]
{rank 0/64} MD step = 109300 step time: 00:00:00.135899 Performance: 66.281 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 02:12:05,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109300 21860 59.844 -32418 6559 -38977 -38977 2.8573e-05 -0.00020954 -0.00049527 1.9027e+05 2024-05-08 02:12:23,837 INFO [main.py:798]
{rank 0/64} MD step = 109400 step time: 00:00:00.152746 Performance: 66.289 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 02:12:42,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109400 21880 59.885 -32536 6563.5 -39100 -39100 0.00020954 -0.00054289 -5.7146e-05 1.904e+05 2024-05-08 02:12:57,811 INFO [main.py:798]
{rank 0/64} MD step = 109500 step time: 00:00:00.145965 Performance: 66.270 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 02:13:10,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109500 21900 60.637 -32583 6645.9 -39229 -39229 -0.00032383 -0.00046669 -0.00056194 1.9057e+05 2024-05-08 02:13:25,638 INFO [main.py:798]
{rank 0/64} MD step = 109600 step time: 00:00:00.161663 Performance: 66.266 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 02:13:41,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109600 21920 59.494 -32593 6520.6 -39114 -39114 0.00030478 -0.00040955 -0.00040002 1.9074e+05 2024-05-08 02:13:54,854 INFO [main.py:798]
{rank 0/64} MD step = 109700 step time: 00:00:00.146765 Performance: 66.259 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 02:14:13,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109700 21940 59.922 -32575 6567.5 -39142 -39142 -0.00036193 -0.00038097 -0.00015239 1.9092e+05 2024-05-08 02:14:28,794 INFO [main.py:798]
{rank 0/64} MD step = 109800 step time: 00:00:00.151105 Performance: 66.241 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 02:14:51,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109800 21960 59.814 -32621 6555.7 -39177 -39177 -0.00025716 -0.00068575 -0.00058099 1.911e+05 2024-05-08 02:15:06,126 INFO [main.py:798]
{rank 0/64} MD step = 109900 step time: 00:00:00.144816 Performance: 66.215 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 02:15:28,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109900 21980 60.078 -32583 6584.6 -39168 -39168 -0.00036193 -0.00064766 -0.00061908 1.9127e+05 2024-05-08 02:15:43,015 INFO [main.py:798]
{rank 0/64} MD step = 110000 step time: 00:00:00.153681 Performance: 66.190 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 02:15:54,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110000 22000 59.908 -32600 6566 -39166 -39166 -0.00033335 -6.1908e-05 -0.00046193 1.9142e+05 2024-05-08 02:16:09,512 INFO [main.py:798]
{rank 0/64} MD step = 110100 step time: 00:00:00.147883 Performance: 66.189 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 02:16:20,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110100 22020 60.165 -32514 6594.2 -39109 -39109 -0.00024763 -0.00068575 -0.00064766 1.9157e+05 2024-05-08 02:16:35,422 INFO [main.py:798]
{rank 0/64} MD step = 110200 step time: 00:00:00.144170 Performance: 66.190 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 02:16:54,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110200 22040 59.851 -32584 6559.8 -39143 -39143 -0.00043812 -0.00041907 -0.00010477 1.9175e+05 2024-05-08 02:17:10,260 INFO [main.py:798]
{rank 0/64} MD step = 110300 step time: 00:00:00.137886 Performance: 66.170 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 02:17:21,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110300 22060 60.568 -32537 6638.4 -39175 -39175 -0.00030478 -0.00060956 -0.00082862 1.9192e+05 2024-05-08 02:17:36,945 INFO [main.py:798]
{rank 0/64} MD step = 110400 step time: 00:00:00.148295 Performance: 66.168 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 02:17:51,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110400 22080 58.578 -32790 6420.2 -39211 -39211 -0.00043812 -0.00053336 -0.00027144 1.921e+05 2024-05-08 02:18:06,042 INFO [main.py:798]
{rank 0/64} MD step = 110500 step time: 00:00:00.139391 Performance: 66.161 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 02:18:18,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110500 22100 59.612 -32497 6533.6 -39031 -39031 -0.00056194 0.00015239 -0.00055241 1.923e+05 2024-05-08 02:18:34,074 INFO [main.py:798]
{rank 0/64} MD step = 110600 step time: 00:00:00.154886 Performance: 66.157 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 02:18:48,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110600 22120 60.555 -32482 6636.9 -39119 -39119 -0.00019049 -0.00028573 6.1908e-05 1.9242e+05 2024-05-08 02:19:03,502 INFO [main.py:798]
{rank 0/64} MD step = 110700 step time: 00:00:00.140546 Performance: 66.149 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 02:19:46,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110700 22140 60.105 -32408 6587.6 -38996 -38996 -0.00015239 -0.00043812 -0.00013334 1.9263e+05 2024-05-08 02:20:03,840 INFO [main.py:798]
{rank 0/64} MD step = 110800 step time: 00:00:00.149986 Performance: 66.071 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 02:20:17,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110800 22160 59.937 -32485 6569.1 -39054 -39054 -5.7146e-05 -0.00047622 -0.00019049 1.9277e+05 2024-05-08 02:20:32,028 INFO [main.py:798]
{rank 0/64} MD step = 110900 step time: 00:00:00.151317 Performance: 66.067 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 02:20:38,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110900 22180 60.866 -32369 6671 -39040 -39040 -0.00022858 -0.00019049 -0.00037145 1.9294e+05 2024-05-08 02:20:54,873 INFO [main.py:798]
{rank 0/64} MD step = 111000 step time: 00:00:00.145504 Performance: 66.074 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 02:21:09,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111000 22200 60.477 -32587 6628.3 -39216 -39216 -0.00033811 -0.00053336 -0.00072385 1.931e+05 2024-05-08 02:21:24,319 INFO [main.py:798]
{rank 0/64} MD step = 111100 step time: 00:00:00.150511 Performance: 66.067 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 02:21:32,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111100 22220 59.937 -32661 6569.2 -39230 -39230 -0.00034288 -0.00065718 -0.00052384 1.9327e+05 2024-05-08 02:21:47,104 INFO [main.py:798]
{rank 0/64} MD step = 111200 step time: 00:00:00.139583 Performance: 66.074 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 02:21:57,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111200 22240 59.456 -32670 6516.5 -39187 -39187 -0.00032383 -0.00029764 -0.00057146 1.9345e+05 2024-05-08 02:22:12,407 INFO [main.py:798]
{rank 0/64} MD step = 111300 step time: 00:00:00.147261 Performance: 66.076 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 02:22:23,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111300 22260 59.607 -32668 6533 -39201 -39201 -0.00040955 -0.0005667 -0.00017144 1.9364e+05 2024-05-08 02:22:38,509 INFO [main.py:798]
{rank 0/64} MD step = 111400 step time: 00:00:00.149863 Performance: 66.076 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 02:22:48,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111400 22280 60.099 -32626 6587 -39213 -39213 -0.00041907 -0.00047622 -0.00038097 1.9383e+05 2024-05-08 02:23:03,436 INFO [main.py:798]
{rank 0/64} MD step = 111500 step time: 00:00:00.144960 Performance: 66.079 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 02:23:10,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111500 22300 60.455 -32490 6625.9 -39116 -39116 -0.00028573 -0.00068575 -0.0007429 1.9399e+05 2024-05-08 02:23:28,473 INFO [main.py:798]
{rank 0/64} MD step = 111600 step time: 00:00:00.136066 Performance: 66.082 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 02:23:57,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111600 22320 60.904 -32526 6675.1 -39201 -39201 -0.00054289 -0.00083814 -0.00041907 1.9414e+05 2024-05-08 02:24:14,745 INFO [main.py:798]
{rank 0/64} MD step = 111700 step time: 00:00:00.155997 Performance: 66.036 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 02:24:37,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111700 22340 60.861 -32401 6670.5 -39072 -39072 0 -0.00045717 -0.00015239 1.9433e+05 2024-05-08 02:24:52,726 INFO [main.py:798]
{rank 0/64} MD step = 111800 step time: 00:00:00.141561 Performance: 66.010 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:25:02,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111800 22360 59.951 -32489 6570.7 -39059 -39059 -0.00051431 -0.00038097 -1.9049e-05 1.9453e+05 2024-05-08 02:25:18,128 INFO [main.py:798]
{rank 0/64} MD step = 111900 step time: 00:00:00.154211 Performance: 66.011 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:25:25,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111900 22380 59.466 -32575 6517.5 -39093 -39093 -0.00049527 -0.00057146 -0.0004905 1.947e+05 2024-05-08 02:25:44,066 INFO [main.py:798]
{rank 0/64} MD step = 112000 step time: 00:00:00.149280 Performance: 66.012 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:25:56,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112000 22400 60.768 -32348 6660.2 -39008 -39008 -0.00045717 -0.00041907 -0.00030478 1.9489e+05 2024-05-08 02:26:11,258 INFO [main.py:798]
{rank 0/64} MD step = 112100 step time: 00:00:00.140522 Performance: 66.010 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:26:24,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112100 22420 59.742 -32635 6547.8 -39183 -39183 -7.6195e-05 0.00015239 -0.00049527 1.9503e+05 2024-05-08 02:26:39,071 INFO [main.py:798]
{rank 0/64} MD step = 112200 step time: 00:00:00.138153 Performance: 66.006 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:26:48,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112200 22440 59.969 -32737 6572.7 -39310 -39310 0.00015239 -0.00051431 0 1.952e+05 2024-05-08 02:27:04,488 INFO [main.py:798]
{rank 0/64} MD step = 112300 step time: 00:00:00.153778 Performance: 66.008 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:27:14,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112300 22460 59.592 -32609 6531.4 -39140 -39140 -0.00021906 -0.00026668 -0.00062861 1.954e+05 2024-05-08 02:27:29,545 INFO [main.py:798]
{rank 0/64} MD step = 112400 step time: 00:00:00.140776 Performance: 66.010 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:27:37,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112400 22480 60.111 -32695 6588.3 -39284 -39284 -0.0003905 -0.00043812 5.7146e-05 1.9556e+05 2024-05-08 02:27:52,721 INFO [main.py:798]
{rank 0/64} MD step = 112500 step time: 00:00:00.138271 Performance: 66.017 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:28:02,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112500 22500 59.432 -32595 6513.8 -39109 -39109 -0.00012858 -0.00062861 -0.00049527 1.9577e+05 2024-05-08 02:28:17,535 INFO [main.py:798]
{rank 0/64} MD step = 112600 step time: 00:00:00.145312 Performance: 66.020 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-08 02:28:27,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112600 22520 60.729 -32604 6655.9 -39260 -39260 -0.00022858 -0.00038097 -0.0001381 1.959e+05 2024-05-08 02:28:41,944 INFO [main.py:798]
{rank 0/64} MD step = 112700 step time: 00:00:00.132455 Performance: 66.024 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-08 02:28:52,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112700 22540 59.466 -32568 6517.5 -39086 -39086 -9.0481e-05 -0.00053336 -0.00020954 1.9609e+05 2024-05-08 02:29:08,444 INFO [main.py:798]
{rank 0/64} MD step = 112800 step time: 00:00:00.135717 Performance: 66.023 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-08 02:29:20,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112800 22560 60.168 -32432 6594.5 -39026 -39026 -0.00038097 -0.00040002 -0.00010477 1.9624e+05 2024-05-08 02:29:36,069 INFO [main.py:798]
{rank 0/64} MD step = 112900 step time: 00:00:00.147087 Performance: 66.020 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-08 02:29:45,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112900 22580 59.255 -32652 6494.4 -39147 -39147 -0.00024763 -0.00026668 -0.00057146 1.9642e+05 2024-05-08 02:30:01,102 INFO [main.py:798]
{rank 0/64} MD step = 113000 step time: 00:00:00.156953 Performance: 66.022 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-08 02:30:09,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113000 22600 59.73 -32753 6546.5 -39299 -39299 -0.0001381 -0.00036193 -0.00051431 1.9658e+05 2024-05-08 02:30:32,722 INFO [main.py:798]
{rank 0/64} MD step = 113100 step time: 00:00:00.172658 Performance: 66.010 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 02:31:20,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113100 22620 59.635 -32627 6536.1 -39164 -39164 -0.00036193 -0.00053336 -0.00054289 1.9675e+05 2024-05-08 02:31:34,874 INFO [main.py:798]
{rank 0/64} MD step = 113200 step time: 00:00:00.145349 Performance: 65.930 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 02:31:51,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113200 22640 59.684 -32723 6541.5 -39264 -39264 -0.00022858 -0.00045717 -0.00022858 1.9693e+05 2024-05-08 02:32:06,659 INFO [main.py:798]
{rank 0/64} MD step = 113300 step time: 00:00:00.137454 Performance: 65.918 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 02:32:21,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113300 22660 58.704 -32742 6434.1 -39176 -39176 -0.00022858 -0.00030478 -0.00017144 1.9713e+05 2024-05-08 02:32:36,565 INFO [main.py:798]
{rank 0/64} MD step = 113400 step time: 00:00:00.150598 Performance: 65.910 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 02:32:46,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113400 22680 60.21 -32633 6599 -39232 -39232 -5.7146e-05 -0.00059051 -0.00051431 1.973e+05 2024-05-08 02:33:01,438 INFO [main.py:798]
{rank 0/64} MD step = 113500 step time: 00:00:00.149564 Performance: 65.913 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 02:33:13,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113500 22700 59.602 -32500 6532.4 -39032 -39032 -0.00013334 -0.00054289 -7.6195e-05 1.9748e+05 2024-05-08 02:33:28,109 INFO [main.py:798]
{rank 0/64} MD step = 113600 step time: 00:00:00.137824 Performance: 65.912 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 02:33:40,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113600 22720 59.645 -32504 6537.2 -39041 -39041 -0.00040478 -0.00061908 -0.00011429 1.9764e+05 2024-05-08 02:33:55,720 INFO [main.py:798]
{rank 0/64} MD step = 113700 step time: 00:00:00.154356 Performance: 65.909 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 02:34:07,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113700 22740 60.062 -32550 6582.9 -39133 -39133 -0.00023811 -0.00026668 -0.00049527 1.9779e+05 2024-05-08 02:34:23,189 INFO [main.py:798]
{rank 0/64} MD step = 113800 step time: 00:00:00.152329 Performance: 65.906 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 02:34:37,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113800 22760 59.589 -32551 6531.1 -39082 -39082 -4.7622e-05 -0.00068575 -0.00015239 1.9798e+05 2024-05-08 02:34:53,019 INFO [main.py:798]
{rank 0/64} MD step = 113900 step time: 00:00:00.143066 Performance: 65.898 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 02:35:26,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113900 22780 59.208 -32719 6489.3 -39209 -39209 -0.00029525 -0.00053336 -9.5243e-05 1.9818e+05 2024-05-08 02:35:41,526 INFO [main.py:798]
{rank 0/64} MD step = 114000 step time: 00:00:00.154619 Performance: 65.849 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 02:36:00,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114000 22800 60.357 -32751 6615.2 -39366 -39366 -0.00037621 -0.00034288 -0.00068575 1.9831e+05 2024-05-08 02:36:15,802 INFO [main.py:798]
{rank 0/64} MD step = 114100 step time: 00:00:00.152859 Performance: 65.831 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-08 02:36:28,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114100 22820 60.28 -32512 6606.8 -39118 -39118 -0.00020001 -0.00027144 -0.00011429 1.985e+05 2024-05-08 02:36:46,530 INFO [main.py:798]
{rank 0/64} MD step = 114200 step time: 00:00:00.138489 Performance: 65.821 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:36:56,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114200 22840 60.611 -32501 6643.1 -39144 -39144 -0.0003143 0.0002143 -0.00057146 1.9868e+05 2024-05-08 02:37:11,081 INFO [main.py:798]
{rank 0/64} MD step = 114300 step time: 00:00:00.145701 Performance: 65.825 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:37:23,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114300 22860 60.646 -32546 6646.9 -39193 -39193 -0.0003905 -0.00047622 -0.00019049 1.9887e+05 2024-05-08 02:37:38,635 INFO [main.py:798]
{rank 0/64} MD step = 114400 step time: 00:00:00.150146 Performance: 65.822 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:37:47,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114400 22880 60.667 -32623 6649.2 -39272 -39272 -0.00040955 -0.00017144 -9.5243e-05 1.9904e+05 2024-05-08 02:38:02,329 INFO [main.py:798]
{rank 0/64} MD step = 114500 step time: 00:00:00.143661 Performance: 65.828 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:38:15,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114500 22900 59.195 -32743 6487.9 -39231 -39231 0.00023811 -0.00041907 0.00011429 1.9922e+05 2024-05-08 02:38:30,883 INFO [main.py:798]
{rank 0/64} MD step = 114600 step time: 00:00:00.167471 Performance: 65.823 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:38:44,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114600 22920 60.823 -32539 6666.3 -39206 -39206 -6.667e-05 -0.00057146 -0.00036193 1.994e+05 2024-05-08 02:39:00,093 INFO [main.py:798]
{rank 0/64} MD step = 114700 step time: 00:00:00.156155 Performance: 65.816 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:39:13,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114700 22940 60.155 -32563 6593 -39156 -39156 -0.00042383 -0.00032383 -0.00030478 1.9955e+05 2024-05-08 02:39:28,984 INFO [main.py:798]
{rank 0/64} MD step = 114800 step time: 00:00:00.148730 Performance: 65.810 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 02:39:50,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114800 22960 59.801 -32603 6554.2 -39157 -39157 -0.00015239 -0.00054051 -9.5243e-05 1.997e+05 2024-05-08 02:40:13,034 INFO [main.py:798]
{rank 0/64} MD step = 114900 step time: 00:00:00.145362 Performance: 65.772 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:40:32,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114900 22980 59.932 -32590 6568.6 -39158 -39158 -0.00038097 -0.00076195 -0.00033335 1.9988e+05 2024-05-08 02:40:47,804 INFO [main.py:798]
{rank 0/64} MD step = 115000 step time: 00:00:00.160238 Performance: 65.753 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:40:54,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115000 23000 59.055 -32744 6472.5 -39217 -39217 0 -0.00043812 -0.00018096 2.0002e+05 2024-05-08 02:41:11,926 INFO [main.py:798]
{rank 0/64} MD step = 115100 step time: 00:00:00.145439 Performance: 65.758 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:41:26,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115100 23020 60.922 -32561 6677.1 -39238 -39238 -0.00032383 -0.00060956 -0.00080005 2.0016e+05 2024-05-08 02:41:40,543 INFO [main.py:798]
{rank 0/64} MD step = 115200 step time: 00:00:00.149880 Performance: 65.753 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:41:47,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115200 23040 60.129 -32581 6590.2 -39171 -39171 -0.0004286 -0.00043812 -0.00043812 2.0039e+05 2024-05-08 02:42:02,612 INFO [main.py:798]
{rank 0/64} MD step = 115300 step time: 00:00:00.160662 Performance: 65.762 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:42:13,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115300 23060 59.893 -32583 6564.3 -39148 -39148 -0.00041907 -0.00053336 -7.6195e-05 2.0055e+05 2024-05-08 02:42:27,910 INFO [main.py:798]
{rank 0/64} MD step = 115400 step time: 00:00:00.150868 Performance: 65.764 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:42:37,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115400 23080 60.318 -32625 6611 -39236 -39236 -0.00045717 -0.00019049 -0.00011429 2.0073e+05 2024-05-08 02:42:52,584 INFO [main.py:798]
{rank 0/64} MD step = 115500 step time: 00:00:00.151048 Performance: 65.768 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:43:00,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115500 23100 59.964 -32688 6572.1 -39260 -39260 -0.00018096 -0.00045717 -0.00060956 2.0089e+05 2024-05-08 02:43:18,178 INFO [main.py:798]
{rank 0/64} MD step = 115600 step time: 00:00:00.151158 Performance: 65.769 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:43:28,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115600 23120 58.868 -32649 6452 -39101 -39101 -0.00043812 -0.00028573 -0.00014287 2.0112e+05 2024-05-08 02:43:43,567 INFO [main.py:798]
{rank 0/64} MD step = 115700 step time: 00:00:00.159841 Performance: 65.771 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:43:51,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115700 23140 60.011 -32636 6577.3 -39214 -39214 -0.00045717 -0.00057146 3.8097e-05 2.0127e+05 2024-05-08 02:44:06,308 INFO [main.py:798]
{rank 0/64} MD step = 115800 step time: 00:00:00.160027 Performance: 65.779 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 02:44:21,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115800 23160 59.387 -32742 6508.9 -39251 -39251 -0.00028573 -0.00061908 -0.00072385 2.0142e+05 2024-05-08 02:44:42,451 INFO [main.py:798]
{rank 0/64} MD step = 115900 step time: 00:00:00.158161 Performance: 65.757 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:45:03,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115900 23180 59.668 -32634 6539.7 -39173 -39173 -0.00011429 7.6195e-05 4.7622e-05 2.016e+05 2024-05-08 02:45:18,718 INFO [main.py:798]
{rank 0/64} MD step = 116000 step time: 00:00:00.150254 Performance: 65.736 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 02:45:27,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116000 23200 60.577 -32466 6639.3 -39105 -39105 -0.00034288 -0.00044288 -0.00025716 2.0177e+05 2024-05-08 02:45:42,695 INFO [main.py:798]
{rank 0/64} MD step = 116100 step time: 00:00:00.138968 Performance: 65.741 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 02:45:52,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116100 23220 60.439 -32656 6624.1 -39280 -39280 -7.6195e-05 -0.00016191 -0.00051431 2.0193e+05 2024-05-08 02:46:08,080 INFO [main.py:798]
{rank 0/64} MD step = 116200 step time: 00:00:00.150041 Performance: 65.743 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:46:14,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116200 23240 59.829 -32625 6557.4 -39182 -39182 -0.00020954 -0.00038574 -1.9049e-05 2.021e+05 2024-05-08 02:46:30,299 INFO [main.py:798]
{rank 0/64} MD step = 116300 step time: 00:00:00.145068 Performance: 65.751 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:46:39,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116300 23260 59.737 -32610 6547.3 -39157 -39157 0.00015239 -0.00059051 -0.000781 2.023e+05 2024-05-08 02:46:53,489 INFO [main.py:798]
{rank 0/64} MD step = 116400 step time: 00:00:00.152797 Performance: 65.758 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:47:02,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116400 23280 59.706 -32642 6543.8 -39186 -39186 -0.00011905 -0.00072385 -0.00049527 2.025e+05 2024-05-08 02:47:17,458 INFO [main.py:798]
{rank 0/64} MD step = 116500 step time: 00:00:00.159393 Performance: 65.763 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:47:25,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116500 23300 58.796 -32772 6444.2 -39216 -39216 -0.0003905 -0.00023811 1.9049e-05 2.0265e+05 2024-05-08 02:47:40,498 INFO [main.py:798]
{rank 0/64} MD step = 116600 step time: 00:00:00.145671 Performance: 65.770 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:47:47,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116600 23320 60.195 -32686 6597.4 -39283 -39283 -0.00040002 -0.00038097 -0.00065718 2.028e+05 2024-05-08 02:48:04,651 INFO [main.py:798]
{rank 0/64} MD step = 116700 step time: 00:00:00.146501 Performance: 65.774 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:48:13,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116700 23340 60.205 -32497 6598.6 -39096 -39096 -0.00036193 -0.0004286 9.2862e-05 2.03e+05 2024-05-08 02:48:27,323 INFO [main.py:798]
{rank 0/64} MD step = 116800 step time: 00:00:00.138458 Performance: 65.782 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 02:48:47,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116800 23360 59.762 -32647 6550 -39197 -39197 -0.00023811 -0.0004286 -0.00041907 2.0317e+05 2024-05-08 02:49:02,473 INFO [main.py:798]
{rank 0/64} MD step = 116900 step time: 00:00:00.155099 Performance: 65.763 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:49:20,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116900 23380 60.6 -32574 6641.9 -39216 -39216 -0.00011429 -0.00051431 -0.00034288 2.0332e+05 2024-05-08 02:49:35,759 INFO [main.py:798]
{rank 0/64} MD step = 117000 step time: 00:00:00.137319 Performance: 65.748 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:49:43,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117000 23400 60.22 -32685 6600.1 -39285 -39285 -0.00040002 -0.00048574 -0.00053336 2.0347e+05 2024-05-08 02:49:59,517 INFO [main.py:798]
{rank 0/64} MD step = 117100 step time: 00:00:00.144350 Performance: 65.754 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:50:08,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117100 23420 59.59 -32685 6531.1 -39216 -39216 -0.00047622 -0.00013334 -0.00076195 2.0366e+05 2024-05-08 02:50:23,012 INFO [main.py:798]
{rank 0/64} MD step = 117200 step time: 00:00:00.134658 Performance: 65.760 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:50:27,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117200 23440 60.908 -32516 6675.5 -39191 -39191 -0.00049527 -0.0006667 -0.00064766 2.0387e+05 2024-05-08 02:50:44,674 INFO [main.py:798]
{rank 0/64} MD step = 117300 step time: 00:00:00.149739 Performance: 65.769 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:50:55,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117300 23460 61.321 -32418 6720.8 -39139 -39139 -0.00033811 -1.9049e-05 -0.00041907 2.0404e+05 2024-05-08 02:51:09,816 INFO [main.py:798]
{rank 0/64} MD step = 117400 step time: 00:00:00.145370 Performance: 65.772 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:51:16,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117400 23480 59.614 -32517 6533.8 -39051 -39051 -0.00038097 -0.00036193 -3.8097e-05 2.0421e+05 2024-05-08 02:51:31,829 INFO [main.py:798]
{rank 0/64} MD step = 117500 step time: 00:00:00.149293 Performance: 65.781 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 02:51:38,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117500 23500 58.99 -32615 6465.3 -39080 -39080 0.0001381 -0.00041907 -0.00059051 2.0437e+05 2024-05-08 02:51:54,047 INFO [main.py:798]
{rank 0/64} MD step = 117600 step time: 00:00:00.158769 Performance: 65.789 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 02:51:59,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117600 23520 60.48 -32583 6628.6 -39212 -39212 0.00041907 9.5243e-05 -1.4287e-05 2.045e+05 2024-05-08 02:52:16,195 INFO [main.py:798]
{rank 0/64} MD step = 117700 step time: 00:00:00.157281 Performance: 65.798 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 02:52:24,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117700 23540 60.289 -32605 6607.8 -39213 -39213 -0.00038097 -0.00041907 2.8573e-05 2.0468e+05 2024-05-08 02:52:39,521 INFO [main.py:798]
{rank 0/64} MD step = 117800 step time: 00:00:00.152743 Performance: 65.804 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 02:52:48,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117800 23560 59.785 -32586 6552.5 -39138 -39138 -0.00015239 -0.0003905 -9.5243e-05 2.0486e+05 2024-05-08 02:53:03,925 INFO [main.py:798]
{rank 0/64} MD step = 117900 step time: 00:00:00.153046 Performance: 65.808 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 02:53:28,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117900 23580 60.439 -32631 6624.1 -39255 -39255 -0.00055241 -0.00044764 -0.00033811 2.0501e+05 2024-05-08 02:53:42,064 INFO [main.py:798]
{rank 0/64} MD step = 118000 step time: 00:00:00.132389 Performance: 65.783 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 02:54:00,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118000 23600 60.138 -32687 6591.2 -39278 -39278 -0.00049527 -0.00038097 -5.7146e-05 2.052e+05 2024-05-08 02:54:21,140 INFO [main.py:798]
{rank 0/64} MD step = 118100 step time: 00:00:00.149826 Performance: 65.756 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 02:54:28,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118100 23620 60.156 -32539 6593.1 -39132 -39132 -0.0004286 -0.00068575 -0.00011429 2.0539e+05 2024-05-08 02:54:42,151 INFO [main.py:798]
{rank 0/64} MD step = 118200 step time: 00:00:00.138968 Performance: 65.767 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:54:48,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118200 23640 59.605 -32670 6532.7 -39203 -39203 -0.00020001 -0.00064766 -0.00025716 2.0557e+05 2024-05-08 02:55:04,305 INFO [main.py:798]
{rank 0/64} MD step = 118300 step time: 00:00:00.148008 Performance: 65.776 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 02:55:10,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118300 23660 59.431 -32583 6513.7 -39097 -39097 -0.00034288 -0.00043812 -0.00023811 2.0574e+05 2024-05-08 02:55:25,809 INFO [main.py:798]
{rank 0/64} MD step = 118400 step time: 00:00:00.145043 Performance: 65.786 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 02:55:31,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118400 23680 59.758 -32713 6549.5 -39263 -39263 -0.00030478 -0.00055241 -9.5243e-06 2.0589e+05 2024-05-08 02:55:46,790 INFO [main.py:798]
{rank 0/64} MD step = 118500 step time: 00:00:00.151429 Performance: 65.797 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 02:55:51,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118500 23700 59.51 -32586 6522.4 -39109 -39109 -0.00053336 -0.00068575 -0.00081909 2.0609e+05 2024-05-08 02:56:07,169 INFO [main.py:798]
{rank 0/64} MD step = 118600 step time: 00:00:00.142351 Performance: 65.810 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 02:56:13,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118600 23720 59.253 -32668 6494.2 -39162 -39162 -0.00019049 -0.00017144 -0.00049527 2.0625e+05 2024-05-08 02:56:29,689 INFO [main.py:798]
{rank 0/64} MD step = 118700 step time: 00:00:00.138930 Performance: 65.817 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:56:39,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118700 23740 59.766 -32635 6550.4 -39186 -39186 -0.00015239 -0.00064766 0 2.0643e+05 2024-05-08 02:56:55,330 INFO [main.py:798]
{rank 0/64} MD step = 118800 step time: 00:00:00.142785 Performance: 65.819 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:57:06,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118800 23760 59.137 -32757 6481.5 -39239 -39239 -0.00026668 -0.00053336 -0.00076195 2.0661e+05 2024-05-08 02:57:20,861 INFO [main.py:798]
{rank 0/64} MD step = 118900 step time: 00:00:00.149495 Performance: 65.820 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:57:29,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118900 23780 60.233 -32424 6601.6 -39026 -39026 -0.00030478 -0.00036669 -0.0007429 2.0683e+05 2024-05-08 02:57:43,995 INFO [main.py:798]
{rank 0/64} MD step = 119000 step time: 00:00:00.151308 Performance: 65.827 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:58:01,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119000 23800 60.682 -32566 6650.8 -39217 -39217 -0.00015239 -0.00065242 -7.6195e-05 2.0697e+05 2024-05-08 02:58:15,467 INFO [main.py:798]
{rank 0/64} MD step = 119100 step time: 00:00:00.155800 Performance: 65.816 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:58:32,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119100 23820 60.35 -32523 6614.5 -39137 -39137 -0.00030478 -0.0006667 -0.00068575 2.0716e+05 2024-05-08 02:58:46,006 INFO [main.py:798]
{rank 0/64} MD step = 119200 step time: 00:00:00.136612 Performance: 65.807 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 02:58:58,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119200 23840 59.976 -32691 6573.4 -39265 -39265 -0.00047622 -7.6195e-05 -8.5719e-05 2.0733e+05 2024-05-08 02:59:14,413 INFO [main.py:798]
{rank 0/64} MD step = 119300 step time: 00:00:00.146937 Performance: 65.802 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 02:59:21,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119300 23860 59.891 -32682 6564.2 -39246 -39246 -0.00031907 -0.00041907 -0.00047622 2.0749e+05 2024-05-08 02:59:36,403 INFO [main.py:798]
{rank 0/64} MD step = 119400 step time: 00:00:00.148324 Performance: 65.811 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 02:59:43,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119400 23880 59.758 -32541 6549.6 -39090 -39090 -0.00043812 -0.00040002 -0.00043812 2.0769e+05 2024-05-08 03:00:11,325 INFO [main.py:798]
{rank 0/64} MD step = 119500 step time: 00:00:00.153209 Performance: 65.793 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:00:19,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119500 23900 60.348 -32594 6614.2 -39208 -39208 -0.00038097 -0.00036669 -0.00057146 2.0781e+05 2024-05-08 03:00:34,341 INFO [main.py:798]
{rank 0/64} MD step = 119600 step time: 00:00:00.152917 Performance: 65.800 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:00:38,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119600 23920 59.375 -32611 6507.6 -39118 -39118 -0.00028573 -0.00034288 -0.00043812 2.0799e+05 2024-05-08 03:00:55,964 INFO [main.py:798]
{rank 0/64} MD step = 119700 step time: 00:00:00.147598 Performance: 65.810 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:01:02,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119700 23940 60.652 -32576 6647.5 -39224 -39224 -0.00045717 -0.00076195 -0.00015239 2.0817e+05 2024-05-08 03:01:17,631 INFO [main.py:798]
{rank 0/64} MD step = 119800 step time: 00:00:00.145304 Performance: 65.819 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:01:25,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119800 23960 59.865 -32543 6561.2 -39104 -39104 -0.00028573 -0.00036193 -0.00049527 2.0835e+05 2024-05-08 03:01:40,419 INFO [main.py:798]
{rank 0/64} MD step = 119900 step time: 00:00:00.145239 Performance: 65.827 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:01:53,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119900 23980 59.69 -32590 6542.1 -39132 -39132 -0.00028573 -0.00030478 8.5719e-05 2.0853e+05 2024-05-08 03:02:08,104 INFO [main.py:798]
{rank 0/64} MD step = 120000 step time: 00:00:00.148319 Performance: 65.824 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:02:16,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120000 24000 59.881 -32702 6563 -39265 -39265 0.00019049 -0.00047622 -0.00060956 2.0869e+05 2024-05-08 03:02:31,186 INFO [main.py:798]
{rank 0/64} MD step = 120100 step time: 00:00:00.136803 Performance: 65.830 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-08 03:02:52,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120100 24020 60.173 -32597 6595 -39192 -39192 -0.00017144 -0.00034288 -0.00072385 2.0887e+05 2024-05-08 03:03:07,399 INFO [main.py:798]
{rank 0/64} MD step = 120200 step time: 00:00:00.142462 Performance: 65.809 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:03:27,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120200 24040 59.833 -32593 6557.7 -39151 -39151 -0.00010953 -0.00051431 -7.6195e-05 2.0906e+05 2024-05-08 03:03:43,212 INFO [main.py:798]
{rank 0/64} MD step = 120300 step time: 00:00:00.144145 Performance: 65.789 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:03:50,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120300 24060 59.545 -32750 6526.2 -39276 -39276 0.00040478 -0.0007048 3.8097e-05 2.0921e+05 2024-05-08 03:04:05,267 INFO [main.py:798]
{rank 0/64} MD step = 120400 step time: 00:00:00.147771 Performance: 65.798 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:04:14,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120400 24080 59.538 -32598 6525.4 -39124 -39124 -0.00032383 -0.00072385 -0.00076195 2.094e+05 2024-05-08 03:04:30,105 INFO [main.py:798]
{rank 0/64} MD step = 120500 step time: 00:00:00.146657 Performance: 65.801 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:04:38,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120500 24100 60.409 -32416 6620.9 -39037 -39037 -0.00049527 -0.00064766 -0.0003905 2.0958e+05 2024-05-08 03:04:53,633 INFO [main.py:798]
{rank 0/64} MD step = 120600 step time: 00:00:00.161708 Performance: 65.807 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:05:02,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120600 24120 59.976 -32732 6573.5 -39306 -39306 -0.00043812 -0.00041907 -7.6195e-05 2.097e+05 2024-05-08 03:05:18,533 INFO [main.py:798]
{rank 0/64} MD step = 120700 step time: 00:00:00.149525 Performance: 65.810 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:05:27,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120700 24140 60.06 -32716 6582.6 -39299 -39299 -0.00026668 -0.00076195 -0.00072385 2.0986e+05 2024-05-08 03:05:42,429 INFO [main.py:798]
{rank 0/64} MD step = 120800 step time: 00:00:00.156347 Performance: 65.815 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:05:52,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120800 24160 60.511 -32409 6632.1 -39042 -39042 -0.00015239 -0.0007429 8.81e-05 2.1011e+05 2024-05-08 03:06:07,814 INFO [main.py:798]
{rank 0/64} MD step = 120900 step time: 00:00:00.157711 Performance: 65.816 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:06:18,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120900 24180 59.94 -32508 6569.5 -39077 -39077 -0.00040955 0.00011429 -0.00015239 2.1028e+05 2024-05-08 03:06:33,552 INFO [main.py:798]
{rank 0/64} MD step = 121000 step time: 00:00:00.156058 Performance: 65.817 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:06:41,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121000 24200 59.372 -32581 6507.2 -39089 -39089 -3.8097e-05 -0.00034288 -0.00051431 2.1045e+05 2024-05-08 03:06:56,628 INFO [main.py:798]
{rank 0/64} MD step = 121100 step time: 00:00:00.148306 Performance: 65.824 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:07:15,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121100 24220 59.837 -32678 6558.2 -39236 -39236 8.0957e-05 -0.00080719 -0.00065242 2.106e+05 2024-05-08 03:07:30,667 INFO [main.py:798]
{rank 0/64} MD step = 121200 step time: 00:00:00.143196 Performance: 65.808 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:07:50,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121200 24240 60.372 -32503 6616.9 -39120 -39120 -0.00030478 -0.00068575 -0.00030478 2.1081e+05 2024-05-08 03:08:05,175 INFO [main.py:798]
{rank 0/64} MD step = 121300 step time: 00:00:00.147014 Performance: 65.791 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:08:14,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121300 24260 60.135 -32563 6590.8 -39154 -39154 -6.667e-05 -0.00076195 -0.0006667 2.1099e+05 2024-05-08 03:08:29,893 INFO [main.py:798]
{rank 0/64} MD step = 121400 step time: 00:00:00.153874 Performance: 65.794 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:08:38,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121400 24280 60.166 -32604 6594.3 -39198 -39198 -0.00043812 -0.00053336 -0.00041907 2.1116e+05 2024-05-08 03:08:52,673 INFO [main.py:798]
{rank 0/64} MD step = 121500 step time: 00:00:00.153595 Performance: 65.801 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:08:57,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121500 24300 60.057 -32528 6582.3 -39111 -39111 -0.00063813 -0.00053336 -0.00012382 2.1134e+05 2024-05-08 03:09:16,110 INFO [main.py:798]
{rank 0/64} MD step = 121600 step time: 00:00:00.147513 Performance: 65.807 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:09:26,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121600 24320 60.64 -32550 6646.2 -39196 -39196 -0.00030478 -0.00053336 -0.00026668 2.1149e+05 2024-05-08 03:09:41,925 INFO [main.py:798]
{rank 0/64} MD step = 121700 step time: 00:00:00.153894 Performance: 65.808 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:09:51,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121700 24340 59.737 -32673 6547.3 -39220 -39220 -5.7146e-05 -0.00064766 -0.00040478 2.1163e+05 2024-05-08 03:10:07,331 INFO [main.py:798]
{rank 0/64} MD step = 121800 step time: 00:00:00.166342 Performance: 65.810 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:10:15,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121800 24360 60.082 -32533 6585.1 -39118 -39118 -0.00057146 -0.00044288 -0.00064289 2.1184e+05 2024-05-08 03:10:29,655 INFO [main.py:798]
{rank 0/64} MD step = 121900 step time: 00:00:00.150618 Performance: 65.818 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:10:40,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121900 24380 59.424 -32667 6513 -39180 -39180 -0.00016191 -0.00038097 -0.00019049 2.12e+05 2024-05-08 03:10:54,750 INFO [main.py:798]
{rank 0/64} MD step = 122000 step time: 00:00:00.152067 Performance: 65.820 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:11:09,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122000 24400 60.771 -32525 6660.5 -39185 -39185 -0.00024763 -0.00052384 -0.00026668 2.1217e+05 2024-05-08 03:11:23,960 INFO [main.py:798]
{rank 0/64} MD step = 122100 step time: 00:00:00.154071 Performance: 65.814 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 03:11:42,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122100 24420 59.747 -32442 6548.3 -38991 -38991 -0.00047622 -0.00059289 -0.00055241 2.1238e+05 2024-05-08 03:11:57,753 INFO [main.py:798]
{rank 0/64} MD step = 122200 step time: 00:00:00.148141 Performance: 65.799 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:12:19,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122200 24440 59.988 -32547 6574.8 -39122 -39122 -0.00051431 -2.3811e-05 -0.00018096 2.1254e+05 2024-05-08 03:12:33,783 INFO [main.py:798]
{rank 0/64} MD step = 122300 step time: 00:00:00.150851 Performance: 65.779 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:12:45,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122300 24460 59.235 -32601 6492.3 -39093 -39093 -0.00034288 -0.00030478 -7.6195e-05 2.1271e+05 2024-05-08 03:12:59,580 INFO [main.py:798]
{rank 0/64} MD step = 122400 step time: 00:00:00.138069 Performance: 65.780 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:13:06,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122400 24480 58.565 -32658 6418.8 -39077 -39077 -0.00028573 -0.00054289 -0.00064766 2.1288e+05 2024-05-08 03:13:24,648 INFO [main.py:798]
{rank 0/64} MD step = 122500 step time: 00:00:00.136695 Performance: 65.782 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:13:35,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122500 24500 59.587 -32686 6530.8 -39217 -39217 -0.00030478 -0.00013334 -0.00043574 2.1299e+05 2024-05-08 03:13:50,795 INFO [main.py:798]
{rank 0/64} MD step = 122600 step time: 00:00:00.138076 Performance: 65.782 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:13:59,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122600 24520 60.283 -32560 6607.1 -39167 -39167 -0.00022858 -0.00032383 -0.00028573 2.1319e+05 2024-05-08 03:14:15,189 INFO [main.py:798]
{rank 0/64} MD step = 122700 step time: 00:00:00.140243 Performance: 65.786 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:14:22,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122700 24540 59.345 -32712 6504.3 -39216 -39216 0.00027144 -0.00081909 -0.00016191 2.1333e+05 2024-05-08 03:14:38,982 INFO [main.py:798]
{rank 0/64} MD step = 122800 step time: 00:00:00.148231 Performance: 65.791 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:14:49,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122800 24560 60.252 -32455 6603.7 -39059 -39059 0.00011429 -0.00040955 -0.00053336 2.1354e+05 2024-05-08 03:15:04,535 INFO [main.py:798]
{rank 0/64} MD step = 122900 step time: 00:00:00.138356 Performance: 65.793 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:15:19,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122900 24580 59.73 -32694 6546.5 -39240 -39240 -0.00026668 -0.00019049 -8.5719e-05 2.1371e+05 2024-05-08 03:15:33,079 INFO [main.py:798]
{rank 0/64} MD step = 123000 step time: 00:00:00.144551 Performance: 65.788 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:15:41,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123000 24600 60.639 -32508 6646.1 -39155 -39155 -0.00030478 -0.00062384 -0.00041907 2.1386e+05 2024-05-08 03:15:55,884 INFO [main.py:798]
{rank 0/64} MD step = 123100 step time: 00:00:00.139627 Performance: 65.795 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 03:16:15,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123100 24620 60.337 -32670 6613 -39283 -39283 -0.00028573 0.00017144 7.6195e-05 2.1403e+05 2024-05-08 03:16:30,478 INFO [main.py:798]
{rank 0/64} MD step = 123200 step time: 00:00:00.135582 Performance: 65.778 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 03:16:53,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123200 24640 60.263 -32482 6604.9 -39087 -39087 -0.00038097 -0.0006667 -0.00022858 2.1422e+05 2024-05-08 03:17:08,316 INFO [main.py:798]
{rank 0/64} MD step = 123300 step time: 00:00:00.138870 Performance: 65.755 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 03:17:17,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123300 24660 60.508 -32531 6631.7 -39162 -39162 -0.00028097 -0.0004024 -0.00038097 2.144e+05 2024-05-08 03:17:32,823 INFO [main.py:798]
{rank 0/64} MD step = 123400 step time: 00:00:00.149276 Performance: 65.758 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 03:17:41,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123400 24680 59.513 -32604 6522.7 -39127 -39127 -0.00026668 -0.00068575 -0.00011429 2.1459e+05 2024-05-08 03:17:57,014 INFO [main.py:798]
{rank 0/64} MD step = 123500 step time: 00:00:00.144962 Performance: 65.763 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 03:18:17,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123500 24700 59.768 -32494 6550.7 -39044 -39044 5.7146e-05 -0.00032383 -0.00063813 2.1472e+05 2024-05-08 03:18:32,766 INFO [main.py:798]
{rank 0/64} MD step = 123600 step time: 00:00:00.136426 Performance: 65.743 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 03:18:45,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123600 24720 61.006 -32592 6686.3 -39278 -39278 -0.00017144 -0.00056194 -0.00030478 2.1491e+05 2024-05-08 03:19:00,578 INFO [main.py:798]
{rank 0/64} MD step = 123700 step time: 00:00:00.144913 Performance: 65.740 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 03:19:11,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123700 24740 59.18 -32759 6486.2 -39245 -39245 -0.00026668 -0.00022858 -0.00050479 2.1508e+05 2024-05-08 03:19:25,846 INFO [main.py:798]
{rank 0/64} MD step = 123800 step time: 00:00:00.147639 Performance: 65.742 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 03:19:38,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123800 24760 60.298 -32503 6608.7 -39112 -39112 -0.00034288 -0.00057146 -0.00069528 2.1526e+05 2024-05-08 03:19:52,816 INFO [main.py:798]
{rank 0/64} MD step = 123900 step time: 00:00:00.139064 Performance: 65.741 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 03:20:02,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123900 24780 59.777 -32765 6551.6 -39316 -39316 -0.00026668 -0.00046669 -0.00057146 2.1542e+05 2024-05-08 03:20:18,638 INFO [main.py:798]
{rank 0/64} MD step = 124000 step time: 00:00:00.146302 Performance: 65.742 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 03:20:30,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124000 24800 59.651 -32581 6537.8 -39119 -39119 -0.00049527 -0.00038097 -0.00036193 2.1561e+05 2024-05-08 03:20:45,148 INFO [main.py:798]
{rank 0/64} MD step = 124100 step time: 00:00:00.134385 Performance: 65.741 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 03:21:21,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124100 24820 59.993 -32476 6575.3 -39051 -39051 -0.00036193 -0.0007429 -0.00041907 2.1582e+05 2024-05-08 03:21:35,858 INFO [main.py:798]
{rank 0/64} MD step = 124200 step time: 00:00:00.141736 Performance: 65.692 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 03:21:57,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124200 24840 59.381 -32688 6508.2 -39196 -39196 -0.00045717 -0.0005286 3.8097e-05 2.1598e+05 2024-05-08 03:22:12,760 INFO [main.py:798]
{rank 0/64} MD step = 124300 step time: 00:00:00.144467 Performance: 65.671 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 03:22:18,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124300 24860 59.705 -32723 6543.7 -39267 -39267 0.00018096 -0.00045241 -0.00072385 2.1613e+05 2024-05-08 03:22:33,703 INFO [main.py:798]
{rank 0/64} MD step = 124400 step time: 00:00:00.151951 Performance: 65.682 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:22:44,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124400 24880 59.602 -32577 6532.4 -39109 -39109 -6.1908e-05 0 0.00015239 2.1633e+05 2024-05-08 03:22:59,939 INFO [main.py:798]
{rank 0/64} MD step = 124500 step time: 00:00:00.160345 Performance: 65.682 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:23:11,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124500 24900 59.157 -32759 6483.6 -39243 -39243 -0.00026668 -0.00051431 -0.00077147 2.1648e+05 2024-05-08 03:23:26,937 INFO [main.py:798]
{rank 0/64} MD step = 124600 step time: 00:00:00.150232 Performance: 65.680 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:23:35,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124600 24920 59.405 -32647 6510.9 -39158 -39158 3.8097e-05 -0.00030478 -0.00015239 2.1669e+05 2024-05-08 03:23:53,920 INFO [main.py:798]
{rank 0/64} MD step = 124700 step time: 00:00:00.148529 Performance: 65.679 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:24:02,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124700 24940 59.985 -32482 6574.4 -39056 -39056 -0.00019049 -0.00041907 -0.00054289 2.1689e+05 2024-05-08 03:24:17,755 INFO [main.py:798]
{rank 0/64} MD step = 124800 step time: 00:00:00.149947 Performance: 65.684 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:24:26,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124800 24960 60.501 -32516 6630.9 -39147 -39147 -0.00022858 -0.00038097 -0.00049527 2.1704e+05 2024-05-08 03:24:41,534 INFO [main.py:798]
{rank 0/64} MD step = 124900 step time: 00:00:00.157137 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:24:55,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124900 24980 60.121 -32618 6589.4 -39208 -39208 -3.8097e-05 -0.00052384 -0.00047622 2.172e+05 2024-05-08 03:25:09,775 INFO [main.py:798]
{rank 0/64} MD step = 125000 step time: 00:00:00.157279 Performance: 65.685 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:25:16,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125000 25000 59.359 -32602 6505.8 -39108 -39108 0.0003143 -0.00076195 -0.0007429 2.1739e+05 2024-05-08 03:25:31,634 INFO [main.py:798]
{rank 0/64} MD step = 125100 step time: 00:00:00.141750 Performance: 65.694 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 03:25:52,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125100 25020 59.935 -32435 6568.9 -39004 -39004 -0.00022858 -3.8097e-05 -4.7622e-05 2.176e+05 2024-05-08 03:26:08,216 INFO [main.py:798]
{rank 0/64} MD step = 125200 step time: 00:00:00.148758 Performance: 65.674 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:26:28,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125200 25040 60.69 -32325 6651.7 -38977 -38977 -0.00022858 -0.00041907 -0.00032383 2.1784e+05 2024-05-08 03:26:43,414 INFO [main.py:798]
{rank 0/64} MD step = 125300 step time: 00:00:00.139982 Performance: 65.656 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:26:56,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125300 25060 59.267 -32491 6495.7 -38987 -38987 -7.6195e-05 -0.00061432 -0.00034288 2.1799e+05 2024-05-08 03:27:11,971 INFO [main.py:798]
{rank 0/64} MD step = 125400 step time: 00:00:00.147511 Performance: 65.652 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:27:20,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125400 25080 59.65 -32620 6537.7 -39158 -39158 -0.00041907 -0.00034288 0.00013334 2.1813e+05 2024-05-08 03:27:35,568 INFO [main.py:798]
{rank 0/64} MD step = 125500 step time: 00:00:00.172033 Performance: 65.657 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:27:43,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125500 25100 59.455 -32616 6516.3 -39133 -39133 -0.00038097 -0.00072385 -0.00051431 2.1833e+05 2024-05-08 03:27:59,057 INFO [main.py:798]
{rank 0/64} MD step = 125600 step time: 00:00:00.140050 Performance: 65.663 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:28:08,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125600 25120 58.873 -32694 6452.6 -39147 -39147 -0.00052384 -0.0004286 -0.00049527 2.1849e+05 2024-05-08 03:28:23,770 INFO [main.py:798]
{rank 0/64} MD step = 125700 step time: 00:00:00.145382 Performance: 65.666 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 03:28:32,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125700 25140 59.114 -32691 6479 -39170 -39170 -0.00041907 -0.00061908 -0.00050955 2.1868e+05 2024-05-08 03:28:48,885 INFO [main.py:798]
{rank 0/64} MD step = 125800 step time: 00:00:00.158227 Performance: 65.668 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 03:28:57,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125800 25160 59.616 -32715 6534 -39249 -39249 -0.00017144 -0.00061432 -0.0004286 2.1882e+05 2024-05-08 03:29:13,260 INFO [main.py:798]
{rank 0/64} MD step = 125900 step time: 00:00:00.152929 Performance: 65.672 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 03:29:22,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125900 25180 59.58 -32664 6530 -39194 -39194 0.00025716 -0.00059051 -0.00017144 2.1898e+05 2024-05-08 03:29:38,010 INFO [main.py:798]
{rank 0/64} MD step = 126000 step time: 00:00:00.158135 Performance: 65.675 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:29:47,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126000 25200 59.706 -32636 6543.8 -39180 -39180 -0.00029525 3.8097e-05 -0.00020954 2.1917e+05 2024-05-08 03:30:03,596 INFO [main.py:798]
{rank 0/64} MD step = 126100 step time: 00:00:00.157114 Performance: 65.676 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 03:30:23,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126100 25220 60.792 -32418 6662.9 -39081 -39081 -0.00034288 -0.00034288 -0.00017144 2.1934e+05 2024-05-08 03:30:38,838 INFO [main.py:798]
{rank 0/64} MD step = 126200 step time: 00:00:00.137347 Performance: 65.659 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:31:03,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126200 25240 60.57 -32440 6638.5 -39078 -39078 -0.0003143 -0.00050479 -0.00047622 2.1955e+05 2024-05-08 03:31:18,788 INFO [main.py:798]
{rank 0/64} MD step = 126300 step time: 00:00:00.147694 Performance: 65.632 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:31:28,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126300 25260 60.748 -32495 6658.1 -39153 -39153 -0.00030478 -0.00030478 -0.00016191 2.1968e+05 2024-05-08 03:31:43,386 INFO [main.py:798]
{rank 0/64} MD step = 126400 step time: 00:00:00.143011 Performance: 65.635 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:31:53,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126400 25280 59.936 -32577 6569.1 -39146 -39146 -0.00049527 -0.00059527 -0.0006667 2.1988e+05 2024-05-08 03:32:08,217 INFO [main.py:798]
{rank 0/64} MD step = 126500 step time: 00:00:00.140809 Performance: 65.638 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:32:15,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126500 25300 59.732 -32819 6546.7 -39366 -39366 -8.5719e-05 -0.00026668 -0.00036193 2.2004e+05 2024-05-08 03:32:31,136 INFO [main.py:798]
{rank 0/64} MD step = 126600 step time: 00:00:00.157926 Performance: 65.645 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:32:41,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126600 25320 60.012 -32554 6577.3 -39131 -39131 -0.00040002 -0.0003143 -0.0007429 2.2024e+05 2024-05-08 03:32:57,884 INFO [main.py:798]
{rank 0/64} MD step = 126700 step time: 00:00:00.148348 Performance: 65.644 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:33:06,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126700 25340 59.855 -32608 6560.2 -39168 -39168 -0.00040002 -0.00057146 -0.00034288 2.2041e+05 2024-05-08 03:33:22,117 INFO [main.py:798]
{rank 0/64} MD step = 126800 step time: 00:00:00.149174 Performance: 65.648 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:33:30,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126800 25360 60.364 -32452 6615.9 -39068 -39068 -0.0003524 -0.00068575 3.8097e-05 2.206e+05 2024-05-08 03:33:48,165 INFO [main.py:798]
{rank 0/64} MD step = 126900 step time: 00:00:00.154932 Performance: 65.649 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:33:56,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126900 25380 60.201 -32533 6598.2 -39131 -39131 -0.00032383 -0.00041907 1.9049e-05 2.2076e+05 2024-05-08 03:34:11,540 INFO [main.py:798]
{rank 0/64} MD step = 127000 step time: 00:00:00.145092 Performance: 65.655 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:34:20,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127000 25400 60.629 -32524 6645 -39169 -39169 -0.00038097 -0.00045717 -0.00041907 2.2094e+05 2024-05-08 03:34:35,619 INFO [main.py:798]
{rank 0/64} MD step = 127100 step time: 00:00:00.188395 Performance: 65.659 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:34:58,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127100 25420 60.632 -32468 6645.3 -39113 -39113 0.00020954 -0.00057146 -7.1433e-05 2.2112e+05 2024-05-08 03:35:13,267 INFO [main.py:798]
{rank 0/64} MD step = 127200 step time: 00:00:00.139428 Performance: 65.637 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:35:37,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127200 25440 60.475 -32463 6628.2 -39091 -39091 -0.00026668 -0.00060956 -3.8097e-05 2.2128e+05 2024-05-08 03:35:53,142 INFO [main.py:798]
{rank 0/64} MD step = 127300 step time: 00:00:00.146690 Performance: 65.610 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:36:03,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127300 25460 60.653 -32486 6647.6 -39133 -39133 5.7146e-05 -0.00031907 -0.00020954 2.2144e+05 2024-05-08 03:36:18,666 INFO [main.py:798]
{rank 0/64} MD step = 127400 step time: 00:00:00.150817 Performance: 65.612 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:36:26,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127400 25480 59.589 -32608 6531.1 -39139 -39139 -0.00043812 -0.00027621 -4.7622e-05 2.2162e+05 2024-05-08 03:36:41,686 INFO [main.py:798]
{rank 0/64} MD step = 127500 step time: 00:00:00.151564 Performance: 65.618 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:36:48,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127500 25500 59.923 -32486 6567.6 -39053 -39053 -0.00035716 -0.00053336 -0.0007429 2.2183e+05 2024-05-08 03:37:04,008 INFO [main.py:798]
{rank 0/64} MD step = 127600 step time: 00:00:00.155581 Performance: 65.626 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:37:11,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127600 25520 59.576 -32608 6529.6 -39137 -39137 -0.00038097 -0.00034288 -0.00059051 2.2198e+05 2024-05-08 03:37:26,316 INFO [main.py:798]
{rank 0/64} MD step = 127700 step time: 00:00:00.155363 Performance: 65.634 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:37:30,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127700 25540 60.007 -32502 6576.9 -39079 -39079 -0.0003143 -0.00026668 -0.00045717 2.2216e+05 2024-05-08 03:37:49,035 INFO [main.py:798]
{rank 0/64} MD step = 127800 step time: 00:00:00.160708 Performance: 65.641 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:37:57,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127800 25560 60.687 -32518 6651.3 -39170 -39170 0.00010477 -0.00071433 -0.00019049 2.2235e+05 2024-05-08 03:38:11,794 INFO [main.py:798]
{rank 0/64} MD step = 127900 step time: 00:00:00.140225 Performance: 65.648 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:38:20,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127900 25580 59.897 -32531 6564.8 -39096 -39096 -0.00034288 -0.00027621 -0.00022858 2.2253e+05 2024-05-08 03:38:35,814 INFO [main.py:798]
{rank 0/64} MD step = 128000 step time: 00:00:00.151682 Performance: 65.652 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:38:43,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128000 25600 59.678 -32597 6540.8 -39138 -39138 -0.00029525 -0.0007048 -7.6195e-05 2.2269e+05 2024-05-08 03:38:58,838 INFO [main.py:798]
{rank 0/64} MD step = 128100 step time: 00:00:00.143223 Performance: 65.659 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:39:19,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128100 25620 59.583 -32694 6530.4 -39224 -39224 -0.00026668 -0.00055241 8.5719e-05 2.2283e+05 2024-05-08 03:39:35,008 INFO [main.py:798]
{rank 0/64} MD step = 128200 step time: 00:00:00.150569 Performance: 65.640 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:40:05,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128200 25640 60.266 -32547 6605.3 -39152 -39152 -0.00041907 -0.00051431 -0.00055241 2.2298e+05 2024-05-08 03:40:21,914 INFO [main.py:798]
{rank 0/64} MD step = 128300 step time: 00:00:00.151179 Performance: 65.600 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 03:40:29,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128300 25660 60.141 -32504 6591.6 -39095 -39095 -0.00053336 -0.00024763 -0.00017144 2.2316e+05 2024-05-08 03:40:44,511 INFO [main.py:798]
{rank 0/64} MD step = 128400 step time: 00:00:00.143226 Performance: 65.607 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:40:50,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128400 25680 59.885 -32615 6563.5 -39179 -39179 -0.00017144 0 -0.00057146 2.2332e+05 2024-05-08 03:41:05,788 INFO [main.py:798]
{rank 0/64} MD step = 128500 step time: 00:00:00.144580 Performance: 65.617 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:41:15,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128500 25700 59.71 -32654 6544.3 -39199 -39199 -0.00026668 -0.00015239 -0.00017144 2.2352e+05 2024-05-08 03:41:30,203 INFO [main.py:798]
{rank 0/64} MD step = 128600 step time: 00:00:00.135478 Performance: 65.621 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:41:37,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128600 25720 59.568 -32710 6528.7 -39239 -39239 -0.00023811 -0.00051431 -5.7146e-05 2.2365e+05 2024-05-08 03:41:54,824 INFO [main.py:798]
{rank 0/64} MD step = 128700 step time: 00:00:00.149142 Performance: 65.624 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:42:05,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128700 25740 60.06 -32465 6582.6 -39048 -39048 -3.8097e-05 -0.00057146 -0.00022858 2.2384e+05 2024-05-08 03:42:22,369 INFO [main.py:798]
{rank 0/64} MD step = 128800 step time: 00:00:00.138211 Performance: 65.622 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:42:31,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128800 25760 59.696 -32662 6542.7 -39205 -39205 -0.00038097 -0.00038097 0 2.2401e+05 2024-05-08 03:42:47,232 INFO [main.py:798]
{rank 0/64} MD step = 128900 step time: 00:00:00.141046 Performance: 65.624 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:42:53,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128900 25780 60.018 -32490 6578 -39068 -39068 -0.00032383 -0.00060956 -0.0005286 2.2422e+05 2024-05-08 03:43:09,665 INFO [main.py:798]
{rank 0/64} MD step = 129000 step time: 00:00:00.154658 Performance: 65.632 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:43:17,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129000 25800 60.59 -32568 6640.8 -39209 -39209 -0.00025716 0 -0.00058099 2.2438e+05 2024-05-08 03:43:32,957 INFO [main.py:798]
{rank 0/64} MD step = 129100 step time: 00:00:00.157308 Performance: 65.638 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:43:56,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129100 25820 59.377 -32714 6507.8 -39222 -39222 -3.8097e-05 -0.00068575 -3.8097e-05 2.2456e+05 2024-05-08 03:44:10,610 INFO [main.py:798]
{rank 0/64} MD step = 129200 step time: 00:00:00.148826 Performance: 65.616 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:44:27,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129200 25840 59.794 -32644 6553.5 -39197 -39197 -0.00034288 -0.00053336 -0.00034288 2.2471e+05 2024-05-08 03:44:43,338 INFO [main.py:798]
{rank 0/64} MD step = 129300 step time: 00:00:00.149655 Performance: 65.604 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:44:47,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129300 25860 59.84 -32598 6558.5 -39157 -39157 -0.00019049 -0.00028573 -0.00060956 2.2488e+05 2024-05-08 03:45:04,938 INFO [main.py:798]
{rank 0/64} MD step = 129400 step time: 00:00:00.158423 Performance: 65.613 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:45:11,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129400 25880 60.376 -32584 6617.3 -39202 -39202 -0.00054765 -0.00076195 -0.00038097 2.2502e+05 2024-05-08 03:45:25,881 INFO [main.py:798]
{rank 0/64} MD step = 129500 step time: 00:00:00.135098 Performance: 65.623 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:45:36,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129500 25900 59.543 -32656 6526 -39182 -39182 -0.00026668 -7.3814e-05 5.7146e-05 2.2523e+05 2024-05-08 03:45:51,028 INFO [main.py:798]
{rank 0/64} MD step = 129600 step time: 00:00:00.155950 Performance: 65.625 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:46:00,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129600 25920 59.799 -32573 6554.1 -39127 -39127 -0.00044764 -0.00044764 -0.00024763 2.2539e+05 2024-05-08 03:46:16,187 INFO [main.py:798]
{rank 0/64} MD step = 129700 step time: 00:00:00.156911 Performance: 65.628 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:46:23,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129700 25940 60.389 -32366 6618.7 -38985 -38985 -0.00029525 -5.7146e-05 -0.00034288 2.2558e+05 2024-05-08 03:46:39,450 INFO [main.py:798]
{rank 0/64} MD step = 129800 step time: 00:00:00.161327 Performance: 65.634 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:46:46,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129800 25960 60.904 -32502 6675.2 -39177 -39177 -0.00026668 -0.00059051 -0.00022858 2.2577e+05 2024-05-08 03:47:01,534 INFO [main.py:798]
{rank 0/64} MD step = 129900 step time: 00:00:00.143249 Performance: 65.642 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:47:10,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129900 25980 60.189 -32615 6596.8 -39211 -39211 -0.00024763 -0.00059051 -0.00053336 2.2593e+05 2024-05-08 03:47:25,921 INFO [main.py:798]
{rank 0/64} MD step = 130000 step time: 00:00:00.145618 Performance: 65.645 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:47:33,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130000 26000 60.034 -32515 6579.8 -39094 -39094 -0.00027621 -0.00041907 -0.00038097 2.2612e+05 2024-05-08 03:47:48,183 INFO [main.py:798]
{rank 0/64} MD step = 130100 step time: 00:00:00.141404 Performance: 65.653 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:47:57,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130100 26020 60.24 -32657 6602.4 -39259 -39259 -0.00046193 -0.00024763 -9.5243e-05 2.2622e+05 2024-05-08 03:48:12,181 INFO [main.py:798]
{rank 0/64} MD step = 130200 step time: 00:00:00.138727 Performance: 65.658 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:48:25,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130200 26040 60.426 -32531 6622.8 -39154 -39154 -0.00040002 -0.00049527 -4.7622e-05 2.2645e+05 2024-05-08 03:48:45,237 INFO [main.py:798]
{rank 0/64} MD step = 130300 step time: 00:00:00.147432 Performance: 65.645 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:49:15,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 26060 59.602 -32683 6532.5 -39215 -39215 -0.00038097 -1.9049e-05 -0.00017144 2.2665e+05 2024-05-08 03:49:30,948 INFO [main.py:798]
{rank 0/64} MD step = 130400 step time: 00:00:00.163362 Performance: 65.608 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:49:38,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130400 26080 58.997 -32580 6466.2 -39046 -39046 -0.00044764 -0.00053336 -0.0007048 2.2682e+05 2024-05-08 03:49:54,198 INFO [main.py:798]
{rank 0/64} MD step = 130500 step time: 00:00:00.155258 Performance: 65.614 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 03:50:01,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130500 26100 60.289 -32580 6607.7 -39187 -39187 -0.00020954 -0.00032383 -0.00017144 2.2698e+05 2024-05-08 03:50:16,174 INFO [main.py:798]
{rank 0/64} MD step = 130600 step time: 00:00:00.146796 Performance: 65.622 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:50:24,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130600 26120 60.963 -32382 6681.7 -39064 -39064 -0.00022858 3.8097e-05 -6.1908e-05 2.2719e+05 2024-05-08 03:50:40,247 INFO [main.py:798]
{rank 0/64} MD step = 130700 step time: 00:00:00.150987 Performance: 65.626 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:50:50,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130700 26140 60.301 -32694 6609.1 -39303 -39303 -0.0003905 -0.00040002 -0.00058099 2.2734e+05 2024-05-08 03:51:06,571 INFO [main.py:798]
{rank 0/64} MD step = 130800 step time: 00:00:00.155273 Performance: 65.626 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:51:12,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130800 26160 60 -32588 6576.1 -39164 -39164 -0.00038097 -0.00072385 -0.00076195 2.2755e+05 2024-05-08 03:51:31,052 INFO [main.py:798]
{rank 0/64} MD step = 130900 step time: 00:00:00.151168 Performance: 65.630 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:51:37,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130900 26180 59.722 -32668 6545.6 -39213 -39213 -0.00036193 4.7622e-05 -0.00059051 2.277e+05 2024-05-08 03:51:52,203 INFO [main.py:798]
{rank 0/64} MD step = 131000 step time: 00:00:00.152689 Performance: 65.640 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:51:58,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131000 26200 60.797 -32586 6663.5 -39250 -39250 -0.00038097 -0.00038097 -0.00024763 2.2786e+05 2024-05-08 03:52:14,440 INFO [main.py:798]
{rank 0/64} MD step = 131100 step time: 00:00:00.152744 Performance: 65.647 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:52:20,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131100 26220 60.788 -32429 6662.4 -39091 -39091 -0.00038097 -0.00026192 -7.6195e-05 2.2804e+05 2024-05-08 03:52:35,596 INFO [main.py:798]
{rank 0/64} MD step = 131200 step time: 00:00:00.182321 Performance: 65.657 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:52:55,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131200 26240 60.231 -32507 6601.4 -39108 -39108 -0.00015239 -0.00037145 -0.00034288 2.282e+05 2024-05-08 03:53:09,718 INFO [main.py:798]
{rank 0/64} MD step = 131300 step time: 00:00:00.139476 Performance: 65.642 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:53:30,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131300 26260 59.32 -32702 6501.6 -39204 -39204 -0.00041907 -0.00064766 -5.7146e-05 2.2836e+05 2024-05-08 03:53:45,411 INFO [main.py:798]
{rank 0/64} MD step = 131400 step time: 00:00:00.141232 Performance: 65.625 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:53:54,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131400 26280 60.129 -32525 6590.2 -39115 -39115 -0.00050003 -0.00053336 -0.00044764 2.2855e+05 2024-05-08 03:54:09,788 INFO [main.py:798]
{rank 0/64} MD step = 131500 step time: 00:00:00.147516 Performance: 65.628 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:54:16,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131500 26300 59.817 -32551 6556.1 -39107 -39107 -0.00045717 -0.00050479 -0.00067623 2.2875e+05 2024-05-08 03:54:31,632 INFO [main.py:798]
{rank 0/64} MD step = 131600 step time: 00:00:00.155276 Performance: 65.637 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:54:37,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131600 26320 59.948 -32648 6570.4 -39218 -39218 -7.6195e-05 -0.00068575 -0.0007048 2.289e+05 2024-05-08 03:54:55,915 INFO [main.py:798]
{rank 0/64} MD step = 131700 step time: 00:00:00.153795 Performance: 65.641 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:55:01,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131700 26340 60.607 -32584 6642.6 -39227 -39227 -3.8097e-05 -0.00061432 0.00012382 2.2912e+05 2024-05-08 03:55:16,666 INFO [main.py:798]
{rank 0/64} MD step = 131800 step time: 00:00:00.135455 Performance: 65.651 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:55:21,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131800 26360 60.014 -32588 6577.6 -39166 -39166 -0.00037145 -0.00026668 -0.00040955 2.2925e+05 2024-05-08 03:55:39,696 INFO [main.py:798]
{rank 0/64} MD step = 131900 step time: 00:00:00.137768 Performance: 65.657 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:55:48,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131900 26380 59.497 -32618 6520.9 -39139 -39139 -0.00048098 -0.00039526 -0.00059051 2.2941e+05 2024-05-08 03:56:03,961 INFO [main.py:798]
{rank 0/64} MD step = 132000 step time: 00:00:00.144868 Performance: 65.661 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:56:14,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132000 26400 60.405 -32547 6620.5 -39167 -39167 -0.0003524 -7.6195e-05 -0.00064766 2.296e+05 2024-05-08 03:56:30,058 INFO [main.py:798]
{rank 0/64} MD step = 132100 step time: 00:00:00.139498 Performance: 65.662 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 03:56:40,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132100 26420 59.256 -32521 6494.5 -39015 -39015 -0.00033335 -0.00057146 -0.00028573 2.2979e+05 2024-05-08 03:56:55,328 INFO [main.py:798]
{rank 0/64} MD step = 132200 step time: 00:00:00.148313 Performance: 65.664 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 03:57:03,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132200 26440 60.057 -32486 6582.3 -39069 -39069 -0.00040002 -0.00056194 -0.00059051 2.2992e+05 2024-05-08 03:57:19,595 INFO [main.py:798]
{rank 0/64} MD step = 132300 step time: 00:00:00.134915 Performance: 65.668 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 03:57:40,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132300 26460 59.959 -32470 6571.6 -39042 -39042 -0.00018572 -0.00051431 -0.00038097 2.3011e+05 2024-05-08 03:57:55,326 INFO [main.py:798]
{rank 0/64} MD step = 132400 step time: 00:00:00.144966 Performance: 65.650 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:58:20,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132400 26480 60.065 -32550 6583.2 -39133 -39133 -0.00040478 -0.00026668 -0.00047622 2.3026e+05 2024-05-08 03:58:36,192 INFO [main.py:798]
{rank 0/64} MD step = 132500 step time: 00:00:00.174704 Performance: 65.622 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:58:43,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132500 26500 60.874 -32397 6671.8 -39069 -39069 -0.00026668 -0.00040002 -0.00053336 2.3042e+05 2024-05-08 03:58:58,352 INFO [main.py:798]
{rank 0/64} MD step = 132600 step time: 00:00:00.156880 Performance: 65.630 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 03:59:05,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132600 26520 60.55 -32511 6636.4 -39147 -39147 -0.00020954 -0.00072385 -0.00043812 2.3062e+05 2024-05-08 03:59:20,282 INFO [main.py:798]
{rank 0/64} MD step = 132700 step time: 00:00:00.152987 Performance: 65.639 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:59:29,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132700 26540 60.658 -32340 6648.2 -38988 -38988 -0.00050955 -7.6195e-05 1.9049e-05 2.3081e+05 2024-05-08 03:59:44,758 INFO [main.py:798]
{rank 0/64} MD step = 132800 step time: 00:00:00.144096 Performance: 65.642 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 03:59:52,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132800 26560 60.333 -32525 6612.6 -39138 -39138 9.5243e-05 -0.00057146 1.9049e-05 2.3097e+05 2024-05-08 04:00:08,469 INFO [main.py:798]
{rank 0/64} MD step = 132900 step time: 00:00:00.163773 Performance: 65.647 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:00:16,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132900 26580 59.875 -32676 6562.4 -39239 -39239 -0.00051431 -0.00019049 1.9049e-05 2.3113e+05 2024-05-08 04:00:31,224 INFO [main.py:798]
{rank 0/64} MD step = 133000 step time: 00:00:00.162542 Performance: 65.654 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:00:40,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133000 26600 59.684 -32541 6541.5 -39082 -39082 3.8097e-05 -0.00053336 -0.00072385 2.3132e+05 2024-05-08 04:00:55,385 INFO [main.py:798]
{rank 0/64} MD step = 133100 step time: 00:00:00.161545 Performance: 65.658 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:01:02,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133100 26620 60.005 -32562 6576.6 -39139 -39139 -0.00024763 -0.00046669 -0.00060956 2.3149e+05 2024-05-08 04:01:17,234 INFO [main.py:798]
{rank 0/64} MD step = 133200 step time: 00:00:00.160761 Performance: 65.666 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:01:26,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133200 26640 59.94 -32528 6569.5 -39097 -39097 -0.00038574 -0.00049527 -0.00038097 2.3164e+05 2024-05-08 04:01:40,939 INFO [main.py:798]
{rank 0/64} MD step = 133300 step time: 00:00:00.146168 Performance: 65.671 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:01:50,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133300 26660 59.579 -32585 6529.9 -39115 -39115 -0.00024763 -0.00060003 -0.00060003 2.3182e+05 2024-05-08 04:02:05,146 INFO [main.py:798]
{rank 0/64} MD step = 133400 step time: 00:00:00.158103 Performance: 65.675 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:02:12,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133400 26680 60.092 -32532 6586.2 -39118 -39118 -0.00049527 -0.00049527 -0.00020954 2.3202e+05 2024-05-08 04:02:28,040 INFO [main.py:798]
{rank 0/64} MD step = 133500 step time: 00:00:00.152998 Performance: 65.681 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:02:34,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133500 26700 60.822 -32521 6666.2 -39187 -39187 -0.00013334 -0.00045717 -0.0003905 2.3219e+05 2024-05-08 04:02:50,258 INFO [main.py:798]
{rank 0/64} MD step = 133600 step time: 00:00:00.145453 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:02:56,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133600 26720 59.246 -32684 6493.4 -39178 -39178 0.00019049 -0.00022858 -0.00049527 2.3233e+05 2024-05-08 04:03:11,029 INFO [main.py:798]
{rank 0/64} MD step = 133700 step time: 00:00:00.149231 Performance: 65.699 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:03:20,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133700 26740 59.454 -32572 6516.3 -39088 -39088 -0.00036193 -7.6195e-05 -0.00034764 2.3252e+05 2024-05-08 04:03:35,322 INFO [main.py:798]
{rank 0/64} MD step = 133800 step time: 00:00:00.143131 Performance: 65.703 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:03:41,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133800 26760 60.414 -32511 6621.5 -39133 -39133 -0.00026668 -0.00030478 -0.00060956 2.3269e+05 2024-05-08 04:03:56,884 INFO [main.py:798]
{rank 0/64} MD step = 133900 step time: 00:00:00.134917 Performance: 65.712 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 04:04:18,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133900 26780 58.74 -32732 6437.9 -39170 -39170 -0.00032383 -0.00041907 -0.00067623 2.3288e+05 2024-05-08 04:04:33,680 INFO [main.py:798]
{rank 0/64} MD step = 134000 step time: 00:00:00.150741 Performance: 65.692 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:04:51,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134000 26800 60.048 -32572 6581.3 -39154 -39154 -0.00043812 -0.00052384 9.5243e-06 2.3309e+05 2024-05-08 04:05:07,618 INFO [main.py:798]
{rank 0/64} MD step = 134100 step time: 00:00:00.135699 Performance: 65.678 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:05:12,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134100 26820 60.454 -32491 6625.8 -39116 -39116 -0.00019049 -1.9049e-05 -0.00036669 2.3327e+05 2024-05-08 04:05:30,324 INFO [main.py:798]
{rank 0/64} MD step = 134200 step time: 00:00:00.148143 Performance: 65.685 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:05:41,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134200 26840 59.785 -32691 6552.6 -39244 -39244 -0.00044764 -0.00040002 -0.0003905 2.3344e+05 2024-05-08 04:05:57,229 INFO [main.py:798]
{rank 0/64} MD step = 134300 step time: 00:00:00.143889 Performance: 65.684 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:06:10,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134300 26860 59.997 -32562 6575.7 -39137 -39137 -0.00032383 -0.0003524 -0.0002143 2.3364e+05 2024-05-08 04:06:25,019 INFO [main.py:798]
{rank 0/64} MD step = 134400 step time: 00:00:00.139666 Performance: 65.681 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:06:33,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134400 26880 60.625 -32531 6644.6 -39176 -39176 0.00019049 -0.00047622 -0.00048574 2.3382e+05 2024-05-08 04:06:50,098 INFO [main.py:798]
{rank 0/64} MD step = 134500 step time: 00:00:00.155346 Performance: 65.683 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:06:58,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134500 26900 60.377 -32505 6617.4 -39122 -39122 -0.00045717 -0.00045717 -0.00038097 2.3399e+05 2024-05-08 04:07:13,070 INFO [main.py:798]
{rank 0/64} MD step = 134600 step time: 00:00:00.137961 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:07:24,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134600 26920 60.248 -32465 6603.2 -39068 -39068 -0.00015239 -0.00030478 -0.00038097 2.3419e+05 2024-05-08 04:07:39,471 INFO [main.py:798]
{rank 0/64} MD step = 134700 step time: 00:00:00.159943 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:07:46,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134700 26940 60.33 -32536 6612.3 -39148 -39148 0.00012382 -0.00043812 -0.00057146 2.3435e+05 2024-05-08 04:08:01,498 INFO [main.py:798]
{rank 0/64} MD step = 134800 step time: 00:00:00.157013 Performance: 65.697 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:08:09,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134800 26960 60.502 -32543 6631.1 -39174 -39174 -0.00023811 -0.0006667 -1.9049e-05 2.3452e+05 2024-05-08 04:08:25,100 INFO [main.py:798]
{rank 0/64} MD step = 134900 step time: 00:00:00.160572 Performance: 65.702 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:08:47,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134900 26980 61.272 -32364 6715.5 -39079 -39079 -0.00040002 -0.00045717 -0.00040002 2.3468e+05 2024-05-08 04:09:02,525 INFO [main.py:798]
{rank 0/64} MD step = 135000 step time: 00:00:00.145498 Performance: 65.682 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:09:23,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135000 27000 60.266 -32449 6605.2 -39054 -39054 -0.00026668 -0.00030478 -0.00026668 2.3486e+05 2024-05-08 04:09:38,500 INFO [main.py:798]
{rank 0/64} MD step = 135100 step time: 00:00:00.158229 Performance: 65.664 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:09:47,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135100 27020 59.924 -32590 6567.8 -39158 -39158 -0.00041431 -0.0005286 -0.00011429 2.3501e+05 2024-05-08 04:10:02,315 INFO [main.py:798]
{rank 0/64} MD step = 135200 step time: 00:00:00.155103 Performance: 65.668 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:10:11,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135200 27040 59.986 -32589 6574.5 -39163 -39163 -0.00032383 -0.00049527 -0.00049527 2.352e+05 2024-05-08 04:10:27,277 INFO [main.py:798]
{rank 0/64} MD step = 135300 step time: 00:00:00.163644 Performance: 65.671 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:10:35,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135300 27060 60.13 -32694 6590.3 -39285 -39285 -0.00028573 -0.0007429 -0.00072147 2.3537e+05 2024-05-08 04:10:50,810 INFO [main.py:798]
{rank 0/64} MD step = 135400 step time: 00:00:00.148457 Performance: 65.676 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:10:58,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135400 27080 59.851 -32655 6559.7 -39215 -39215 -0.00041907 -0.00036193 -0.00040002 2.3557e+05 2024-05-08 04:11:14,093 INFO [main.py:798]
{rank 0/64} MD step = 135500 step time: 00:00:00.152355 Performance: 65.681 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:11:22,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135500 27100 60.173 -32554 6595.1 -39149 -39149 -0.00057146 -0.00059051 3.8097e-05 2.3572e+05 2024-05-08 04:11:36,888 INFO [main.py:798]
{rank 0/64} MD step = 135600 step time: 00:00:00.142985 Performance: 65.688 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:11:45,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135600 27120 60.111 -32528 6588.2 -39117 -39117 -7.6195e-05 -0.00051431 6.667e-05 2.3593e+05 2024-05-08 04:12:02,423 INFO [main.py:798]
{rank 0/64} MD step = 135700 step time: 00:00:00.161452 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:12:09,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135700 27140 59.66 -32581 6538.8 -39120 -39120 -0.00053336 -0.00034288 -0.00019525 2.3608e+05 2024-05-08 04:12:24,774 INFO [main.py:798]
{rank 0/64} MD step = 135800 step time: 00:00:00.135916 Performance: 65.697 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:12:38,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135800 27160 60.3 -32518 6609 -39127 -39127 -0.00043812 -0.00064766 -0.00043812 2.3627e+05 2024-05-08 04:12:53,325 INFO [main.py:798]
{rank 0/64} MD step = 135900 step time: 00:00:00.144481 Performance: 65.693 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:13:09,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135900 27180 60.581 -32548 6639.7 -39188 -39188 -0.00031907 -0.00046669 -0.00053336 2.3643e+05 2024-05-08 04:13:24,863 INFO [main.py:798]
{rank 0/64} MD step = 136000 step time: 00:00:00.154982 Performance: 65.683 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:13:55,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136000 27200 59.592 -32515 6531.3 -39046 -39046 -0.00047622 -0.00038097 0.00011429 2.3663e+05 2024-05-08 04:14:11,133 INFO [main.py:798]
{rank 0/64} MD step = 136100 step time: 00:00:00.148998 Performance: 65.646 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:14:17,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136100 27220 60.391 -32664 6618.9 -39283 -39283 -0.00047622 -0.00062861 -0.00076195 2.368e+05 2024-05-08 04:14:36,823 INFO [main.py:798]
{rank 0/64} MD step = 136200 step time: 00:00:00.155136 Performance: 65.647 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:14:48,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136200 27240 59.492 -32548 6520.4 -39069 -39069 -0.00026668 -0.00019049 0 2.3701e+05 2024-05-08 04:15:03,946 INFO [main.py:798]
{rank 0/64} MD step = 136300 step time: 00:00:00.143265 Performance: 65.646 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:15:11,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136300 27260 60.631 -32501 6645.2 -39147 -39147 -0.00018096 -0.00034288 -0.00056194 2.3714e+05 2024-05-08 04:15:27,322 INFO [main.py:798]
{rank 0/64} MD step = 136400 step time: 00:00:00.139026 Performance: 65.651 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:15:37,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136400 27280 59.899 -32594 6565 -39159 -39159 -0.00040002 -0.00054289 -0.00047622 2.3733e+05 2024-05-08 04:15:52,532 INFO [main.py:798]
{rank 0/64} MD step = 136500 step time: 00:00:00.137146 Performance: 65.653 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:16:01,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136500 27300 60.179 -32475 6595.7 -39071 -39071 -0.00017144 -0.00045717 -0.00047622 2.3751e+05 2024-05-08 04:16:16,679 INFO [main.py:798]
{rank 0/64} MD step = 136600 step time: 00:00:00.134729 Performance: 65.657 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:16:27,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136600 27320 59.288 -32565 6498 -39063 -39063 -0.00024763 -0.00041907 -0.00064766 2.3769e+05 2024-05-08 04:16:41,892 INFO [main.py:798]
{rank 0/64} MD step = 136700 step time: 00:00:00.133556 Performance: 65.659 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:16:52,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136700 27340 59.912 -32538 6566.4 -39105 -39105 -0.0003905 -0.00040955 -0.00018096 2.3783e+05 2024-05-08 04:17:07,212 INFO [main.py:798]
{rank 0/64} MD step = 136800 step time: 00:00:00.143909 Performance: 65.661 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:17:16,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136800 27360 59.43 -32695 6513.5 -39208 -39208 -0.0003524 -0.00056194 -0.00034288 2.3799e+05 2024-05-08 04:17:31,345 INFO [main.py:798]
{rank 0/64} MD step = 136900 step time: 00:00:00.145647 Performance: 65.665 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:17:48,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136900 27380 59.176 -32734 6485.8 -39220 -39220 -0.00011429 -0.00076195 0.00011429 2.3817e+05 2024-05-08 04:18:03,185 INFO [main.py:798]
{rank 0/64} MD step = 137000 step time: 00:00:00.152397 Performance: 65.655 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:18:27,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137000 27400 59.832 -32491 6557.6 -39049 -39049 -0.0003905 -0.00060956 -0.00049527 2.3839e+05 2024-05-08 04:18:41,626 INFO [main.py:798]
{rank 0/64} MD step = 137100 step time: 00:00:00.134014 Performance: 65.633 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 04:18:51,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137100 27420 60.43 -32518 6623.2 -39142 -39142 -0.00041431 -0.00038097 -0.00062861 2.3852e+05 2024-05-08 04:19:06,472 INFO [main.py:798]
{rank 0/64} MD step = 137200 step time: 00:00:00.140753 Performance: 65.636 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 04:19:14,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137200 27440 60.155 -32614 6593.1 -39207 -39207 -0.0003905 -0.00068575 0.00013334 2.3867e+05 2024-05-08 04:19:29,065 INFO [main.py:798]
{rank 0/64} MD step = 137300 step time: 00:00:00.147814 Performance: 65.643 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:19:35,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137300 27460 60.492 -32499 6630 -39129 -39129 -0.00045717 -0.00038097 -0.00015239 2.3884e+05 2024-05-08 04:19:51,553 INFO [main.py:798]
{rank 0/64} MD step = 137400 step time: 00:00:00.134772 Performance: 65.650 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:19:56,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137400 27480 60.631 -32564 6645.2 -39209 -39209 -0.00028573 -0.00023811 -0.00049527 2.3899e+05 2024-05-08 04:20:13,503 INFO [main.py:798]
{rank 0/64} MD step = 137500 step time: 00:00:00.135248 Performance: 65.657 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:20:23,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137500 27500 59.987 -32617 6574.7 -39191 -39191 -0.00024763 -0.00053336 -0.00049527 2.3918e+05 2024-05-08 04:20:37,882 INFO [main.py:798]
{rank 0/64} MD step = 137600 step time: 00:00:00.144315 Performance: 65.661 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:20:47,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137600 27520 59.612 -32553 6533.6 -39086 -39086 -0.00034288 -0.00045717 -0.00043812 2.3938e+05 2024-05-08 04:21:03,018 INFO [main.py:798]
{rank 0/64} MD step = 137700 step time: 00:00:00.143642 Performance: 65.663 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:21:08,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137700 27540 60.545 -32569 6635.8 -39205 -39205 -0.0003905 -0.00034288 -0.00071433 2.3956e+05 2024-05-08 04:21:25,491 INFO [main.py:798]
{rank 0/64} MD step = 137800 step time: 00:00:00.162076 Performance: 65.670 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:21:33,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137800 27560 60.167 -32484 6594.4 -39079 -39079 -0.00030478 -0.00050479 -0.00058575 2.3974e+05 2024-05-08 04:21:48,186 INFO [main.py:798]
{rank 0/64} MD step = 137900 step time: 00:00:00.144625 Performance: 65.677 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:21:57,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137900 27580 60.638 -32473 6646 -39119 -39119 -0.00030478 0 -0.00053336 2.3993e+05 2024-05-08 04:22:13,289 INFO [main.py:798]
{rank 0/64} MD step = 138000 step time: 00:00:00.153621 Performance: 65.679 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:22:30,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138000 27600 59.098 -32610 6477.3 -39087 -39087 -0.00045717 -0.00030478 -0.00015239 2.4011e+05 2024-05-08 04:22:48,673 INFO [main.py:798]
{rank 0/64} MD step = 138100 step time: 00:00:00.133104 Performance: 65.662 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:23:14,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138100 27620 59.772 -32676 6551 -39227 -39227 -0.00030478 -0.00058099 -0.00058099 2.4027e+05 2024-05-08 04:23:28,511 INFO [main.py:798]
{rank 0/64} MD step = 138200 step time: 00:00:00.148229 Performance: 65.638 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 04:23:35,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138200 27640 60.956 -32403 6680.9 -39083 -39083 -0.00041907 -0.00036193 -0.00064766 2.4046e+05 2024-05-08 04:23:50,443 INFO [main.py:798]
{rank 0/64} MD step = 138300 step time: 00:00:00.160215 Performance: 65.646 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:23:56,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138300 27660 60.272 -32574 6605.9 -39179 -39179 0.00011429 -0.00045717 -0.00045717 2.4061e+05 2024-05-08 04:24:12,901 INFO [main.py:798]
{rank 0/64} MD step = 138400 step time: 00:00:00.156005 Performance: 65.653 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:24:19,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138400 27680 60.525 -32444 6633.7 -39077 -39077 -0.0003143 5.7146e-05 -5.7146e-05 2.4083e+05 2024-05-08 04:24:34,859 INFO [main.py:798]
{rank 0/64} MD step = 138500 step time: 00:00:00.156315 Performance: 65.661 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 04:24:42,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138500 27700 60.164 -32476 6594.1 -39070 -39070 -0.00031907 -0.00055241 -0.00071433 2.41e+05 2024-05-08 04:24:58,018 INFO [main.py:798]
{rank 0/64} MD step = 138600 step time: 00:00:00.154468 Performance: 65.666 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:25:03,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138600 27720 60.317 -32538 6610.9 -39149 -39149 -0.0003905 0.00015239 -0.00018096 2.4118e+05 2024-05-08 04:25:19,436 INFO [main.py:798]
{rank 0/64} MD step = 138700 step time: 00:00:00.158102 Performance: 65.675 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:25:25,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138700 27740 59.146 -32673 6482.5 -39156 -39156 -0.00024763 -0.00041907 -0.0003143 2.4134e+05 2024-05-08 04:25:40,890 INFO [main.py:798]
{rank 0/64} MD step = 138800 step time: 00:00:00.158803 Performance: 65.684 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:25:49,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138800 27760 60.325 -32549 6611.7 -39161 -39161 -0.00017144 -0.00043812 -0.00011429 2.4154e+05 2024-05-08 04:26:04,642 INFO [main.py:798]
{rank 0/64} MD step = 138900 step time: 00:00:00.155911 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:26:11,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138900 27780 59.625 -32694 6535 -39229 -39229 -0.00029525 -0.0003905 -0.00055241 2.4171e+05 2024-05-08 04:26:29,691 INFO [main.py:798]
{rank 0/64} MD step = 139000 step time: 00:00:00.154323 Performance: 65.691 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:26:37,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139000 27800 59.441 -32731 6514.8 -39246 -39246 -9.5243e-05 -0.00059051 -0.00062861 2.4189e+05 2024-05-08 04:26:51,329 INFO [main.py:798]
{rank 0/64} MD step = 139100 step time: 00:00:00.143426 Performance: 65.699 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:27:08,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139100 27820 60.192 -32470 6597.1 -39067 -39067 -0.00022858 -0.00019049 -7.6195e-05 2.421e+05 2024-05-08 04:27:23,653 INFO [main.py:798]
{rank 0/64} MD step = 139200 step time: 00:00:00.141025 Performance: 65.688 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:27:44,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139200 27840 60.025 -32565 6578.8 -39144 -39144 -0.00028573 -0.00076195 -0.00082386 2.4226e+05 2024-05-08 04:27:58,858 INFO [main.py:798]
{rank 0/64} MD step = 139300 step time: 00:00:00.148895 Performance: 65.672 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 04:28:05,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139300 27860 60.496 -32562 6630.5 -39193 -39193 -0.00015239 -0.00064766 -0.00030478 2.4243e+05 2024-05-08 04:28:22,140 INFO [main.py:798]
{rank 0/64} MD step = 139400 step time: 00:00:00.162724 Performance: 65.678 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:28:30,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139400 27880 60.303 -32693 6609.2 -39302 -39302 -0.00020954 -0.00049527 -0.00032383 2.4263e+05 2024-05-08 04:28:45,352 INFO [main.py:798]
{rank 0/64} MD step = 139500 step time: 00:00:00.152890 Performance: 65.683 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:28:52,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139500 27900 58.953 -32811 6461.3 -39272 -39272 -0.00025716 -0.0007429 -3.8097e-05 2.4277e+05 2024-05-08 04:29:07,992 INFO [main.py:798]
{rank 0/64} MD step = 139600 step time: 00:00:00.160070 Performance: 65.690 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:29:13,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139600 27920 60.472 -32544 6627.8 -39172 -39172 -0.00030002 -0.00042383 -0.00057146 2.4294e+05 2024-05-08 04:29:28,906 INFO [main.py:798]
{rank 0/64} MD step = 139700 step time: 00:00:00.151550 Performance: 65.700 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:29:36,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139700 27940 60.52 -32497 6633 -39130 -39130 -0.00011429 -0.00049527 -0.00056194 2.4312e+05 2024-05-08 04:29:52,159 INFO [main.py:798]
{rank 0/64} MD step = 139800 step time: 00:00:00.149321 Performance: 65.705 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:30:00,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139800 27960 59.973 -32529 6573.1 -39102 -39102 -0.00041907 -0.000781 -0.00049527 2.4329e+05 2024-05-08 04:30:15,290 INFO [main.py:798]
{rank 0/64} MD step = 139900 step time: 00:00:00.138640 Performance: 65.711 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 04:30:21,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139900 27980 60.301 -32586 6609.1 -39195 -39195 -0.00030478 -0.00027621 -0.00034288 2.4341e+05 2024-05-08 04:30:37,338 INFO [main.py:798]
{rank 0/64} MD step = 140000 step time: 00:00:00.142263 Performance: 65.718 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 04:30:47,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140000 28000 59.723 -32531 6545.7 -39077 -39077 -0.00036193 -0.00064766 -0.00022858 2.436e+05 2024-05-08 04:31:02,441 INFO [main.py:798]
{rank 0/64} MD step = 140100 step time: 00:00:00.147114 Performance: 65.720 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 04:31:06,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140100 28020 59.941 -32625 6569.7 -39195 -39195 -0.0002524 0.00015239 -0.00072385 2.4374e+05 2024-05-08 04:31:24,369 INFO [main.py:798]
{rank 0/64} MD step = 140200 step time: 00:00:00.141670 Performance: 65.728 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 04:31:51,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140200 28040 59.252 -32582 6494.1 -39076 -39076 0.00025716 -0.00043812 5.7146e-05 2.4395e+05 2024-05-08 04:32:06,192 INFO [main.py:798]
{rank 0/64} MD step = 140300 step time: 00:00:00.147116 Performance: 65.701 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:32:24,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140300 28060 59.632 -32661 6535.8 -39197 -39197 -0.00038097 -0.00045717 -0.00030478 2.4415e+05 2024-05-08 04:32:40,696 INFO [main.py:798]
{rank 0/64} MD step = 140400 step time: 00:00:00.164281 Performance: 65.686 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:32:52,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140400 28080 59.66 -32685 6538.8 -39224 -39224 -0.00048574 -0.00040002 -0.00032383 2.443e+05 2024-05-08 04:33:08,217 INFO [main.py:798]
{rank 0/64} MD step = 140500 step time: 00:00:00.148354 Performance: 65.684 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:33:16,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140500 28100 60.433 -32495 6623.5 -39119 -39119 -0.00041907 3.8097e-05 -0.00069528 2.4448e+05 2024-05-08 04:33:31,819 INFO [main.py:798]
{rank 0/64} MD step = 140600 step time: 00:00:00.147551 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:33:38,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140600 28120 60.228 -32663 6601.1 -39264 -39264 -0.00023811 -0.00071433 -0.00057146 2.446e+05 2024-05-08 04:33:56,725 INFO [main.py:798]
{rank 0/64} MD step = 140700 step time: 00:00:00.154190 Performance: 65.691 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:34:06,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140700 28140 59.738 -32650 6547.3 -39197 -39197 -0.00041907 -0.00034288 -0.00028573 2.4481e+05 2024-05-08 04:34:22,308 INFO [main.py:798]
{rank 0/64} MD step = 140800 step time: 00:00:00.142840 Performance: 65.692 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:34:30,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140800 28160 60.754 -32487 6658.7 -39145 -39145 -0.00026668 -0.0003524 -0.00024763 2.4499e+05 2024-05-08 04:34:47,600 INFO [main.py:798]
{rank 0/64} MD step = 140900 step time: 00:00:00.152139 Performance: 65.694 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:34:57,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140900 28180 59.85 -32542 6559.6 -39102 -39102 -0.00047622 -0.00060956 -0.00011429 2.4519e+05 2024-05-08 04:35:12,520 INFO [main.py:798]
{rank 0/64} MD step = 141000 step time: 00:00:00.146078 Performance: 65.697 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:35:25,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141000 28200 59.297 -32711 6499 -39210 -39210 -0.00024763 0.00015239 7.6195e-05 2.4533e+05 2024-05-08 04:35:41,423 INFO [main.py:798]
{rank 0/64} MD step = 141100 step time: 00:00:00.157538 Performance: 65.692 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 04:35:47,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141100 28220 59.637 -32648 6536.3 -39184 -39184 -0.00049527 -0.00055241 -0.00051431 2.4553e+05 2024-05-08 04:36:11,391 INFO [main.py:798]
{rank 0/64} MD step = 141200 step time: 00:00:00.147047 Performance: 65.686 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 04:36:51,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141200 28240 59.737 -32381 6547.3 -38928 -38928 -0.00041907 -0.00037145 -0.00041907 2.4574e+05 2024-05-08 04:37:05,408 INFO [main.py:798]
{rank 0/64} MD step = 141300 step time: 00:00:00.136317 Performance: 65.637 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 04:37:14,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141300 28260 59.363 -32636 6506.2 -39143 -39143 -0.00050479 -0.00060956 -0.00045955 2.4589e+05 2024-05-08 04:37:30,777 INFO [main.py:798]
{rank 0/64} MD step = 141400 step time: 00:00:00.134711 Performance: 65.638 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 04:37:42,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141400 28280 60.277 -32600 6606.5 -39207 -39207 -0.00030478 -0.0007429 -0.00011429 2.4605e+05 2024-05-08 04:37:58,028 INFO [main.py:798]
{rank 0/64} MD step = 141500 step time: 00:00:00.143306 Performance: 65.637 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 04:38:09,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141500 28300 60.649 -32434 6647.2 -39081 -39081 -0.00024763 -0.00061908 -0.00015239 2.4625e+05 2024-05-08 04:38:24,082 INFO [main.py:798]
{rank 0/64} MD step = 141600 step time: 00:00:00.133391 Performance: 65.637 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 04:38:46,881 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141600 28320 59.993 -32524 6575.3 -39099 -39099 -0.00024763 -0.00045717 -0.00056194 2.4643e+05 2024-05-08 04:39:00,894 INFO [main.py:798]
{rank 0/64} MD step = 141700 step time: 00:00:00.132065 Performance: 65.619 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 04:39:12,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141700 28340 59.376 -32829 6507.7 -39337 -39337 -0.00040002 -0.00046669 -0.00044288 2.4656e+05 2024-05-08 04:39:27,812 INFO [main.py:798]
{rank 0/64} MD step = 141800 step time: 00:00:00.139124 Performance: 65.618 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 04:39:39,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141800 28360 59.129 -32702 6480.6 -39183 -39183 -0.00049527 -0.00012382 -0.0003905 2.4675e+05 2024-05-08 04:39:54,403 INFO [main.py:798]
{rank 0/64} MD step = 141900 step time: 00:00:00.146782 Performance: 65.617 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 04:40:01,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141900 28380 60.218 -32612 6599.9 -39212 -39212 -0.00025716 -0.00020954 -0.00028573 2.4694e+05 2024-05-08 04:40:19,674 INFO [main.py:798]
{rank 0/64} MD step = 142000 step time: 00:00:00.145170 Performance: 65.619 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 04:40:29,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142000 28400 59.605 -32656 6532.8 -39189 -39189 -0.00040002 -0.00028573 -9.5243e-05 2.471e+05 2024-05-08 04:40:44,576 INFO [main.py:798]
{rank 0/64} MD step = 142100 step time: 00:00:00.139452 Performance: 65.622 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 04:42:02,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142100 28420 61 -32490 6685.7 -39175 -39175 -0.00027621 -0.00060956 -0.0003143 2.473e+05 2024-05-08 04:42:18,214 INFO [main.py:798]
{rank 0/64} MD step = 142200 step time: 00:00:00.152065 Performance: 65.504 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 04:42:28,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142200 28440 59.861 -32534 6560.9 -39095 -39095 -0.00032383 -0.00033335 -0.00051431 2.4749e+05 2024-05-08 04:42:45,193 INFO [main.py:798]
{rank 0/64} MD step = 142300 step time: 00:00:00.173061 Performance: 65.503 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 04:42:53,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142300 28460 59.744 -32533 6548 -39081 -39081 -0.00022858 -0.00034288 -0.00042383 2.4766e+05 2024-05-08 04:43:08,636 INFO [main.py:798]
{rank 0/64} MD step = 142400 step time: 00:00:00.161749 Performance: 65.508 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 04:43:25,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142400 28480 60.078 -32602 6584.6 -39187 -39187 -0.00040002 -0.00072385 -0.00060956 2.4783e+05 2024-05-08 04:43:44,855 INFO [main.py:798]
{rank 0/64} MD step = 142500 step time: 00:00:00.145916 Performance: 65.491 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 04:43:57,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142500 28500 59.603 -32708 6532.6 -39240 -39240 -0.00028573 -0.00065242 -0.00041907 2.48e+05 2024-05-08 04:44:13,231 INFO [main.py:798]
{rank 0/64} MD step = 142600 step time: 00:00:00.150924 Performance: 65.487 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 04:44:19,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142600 28520 60.544 -32536 6635.7 -39172 -39172 -0.00019049 -0.00041907 -0.00038574 2.482e+05 2024-05-08 04:44:35,144 INFO [main.py:798]
{rank 0/64} MD step = 142700 step time: 00:00:00.140059 Performance: 65.495 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 04:44:43,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142700 28540 60.866 -32411 6671 -39082 -39082 -0.00033811 -0.00058099 -0.00019049 2.4837e+05 2024-05-08 04:44:59,240 INFO [main.py:798]
{rank 0/64} MD step = 142800 step time: 00:00:00.140857 Performance: 65.499 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 04:45:15,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142800 28560 59.376 -32652 6507.7 -39160 -39160 -0.00037145 -0.00064766 -0.00053336 2.4852e+05 2024-05-08 04:45:30,413 INFO [main.py:798]
{rank 0/64} MD step = 142900 step time: 00:00:00.159959 Performance: 65.491 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 04:45:59,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142900 28580 60.255 -32517 6604.1 -39121 -39121 -0.00015239 9.5243e-05 -0.00045717 2.4871e+05 2024-05-08 04:46:14,441 INFO [main.py:798]
{rank 0/64} MD step = 143000 step time: 00:00:00.146146 Performance: 65.460 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 04:46:39,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143000 28600 60.534 -32613 6634.7 -39248 -39248 -0.00010477 -0.00049527 -2.8573e-05 2.4885e+05 2024-05-08 04:46:54,417 INFO [main.py:798]
{rank 0/64} MD step = 143100 step time: 00:00:00.159118 Performance: 65.437 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 04:47:02,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143100 28620 60.779 -32368 6661.5 -39029 -39029 -0.00026668 -0.00059527 -9.5243e-05 2.4906e+05 2024-05-08 04:47:18,100 INFO [main.py:798]
{rank 0/64} MD step = 143200 step time: 00:00:00.163681 Performance: 65.441 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 04:47:26,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143200 28640 59.404 -32679 6510.8 -39189 -39189 -0.00024525 -0.00045717 -0.00053813 2.4917e+05 2024-05-08 04:47:40,438 INFO [main.py:798]
{rank 0/64} MD step = 143300 step time: 00:00:00.152587 Performance: 65.448 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 04:47:50,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143300 28660 60.36 -32661 6615.6 -39277 -39277 -0.00040002 -0.00056194 -0.00068575 2.4936e+05 2024-05-08 04:48:05,495 INFO [main.py:798]
{rank 0/64} MD step = 143400 step time: 00:00:00.176593 Performance: 65.451 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 04:48:13,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143400 28680 60.141 -32618 6591.5 -39209 -39209 -0.00036193 2.8573e-05 -0.00045717 2.4954e+05 2024-05-08 04:48:30,902 INFO [main.py:798]
{rank 0/64} MD step = 143500 step time: 00:00:00.154632 Performance: 65.452 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 04:48:42,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143500 28700 60.072 -32513 6583.9 -39097 -39097 -0.00034288 -0.00050003 -0.00027621 2.4972e+05 2024-05-08 04:48:57,257 INFO [main.py:798]
{rank 0/64} MD step = 143600 step time: 00:00:00.157287 Performance: 65.453 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 04:49:02,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143600 28720 59.766 -32682 6550.5 -39233 -39233 -0.00020001 -0.00053336 -0.00053336 2.499e+05 2024-05-08 04:49:19,462 INFO [main.py:798]
{rank 0/64} MD step = 143700 step time: 00:00:00.144144 Performance: 65.460 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 04:49:28,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143700 28740 60.626 -32527 6644.7 -39172 -39172 -0.00060956 -0.00060956 -0.00026668 2.5008e+05 2024-05-08 04:49:43,475 INFO [main.py:798]
{rank 0/64} MD step = 143800 step time: 00:00:00.150173 Performance: 65.464 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 04:49:51,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143800 28760 60.974 -32386 6682.8 -39069 -39069 -0.00030478 -0.00028573 -9.5243e-05 2.5028e+05 2024-05-08 04:50:06,553 INFO [main.py:798]
{rank 0/64} MD step = 143900 step time: 00:00:00.161598 Performance: 65.470 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 04:50:31,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143900 28780 60.287 -32535 6607.5 -39142 -39142 -0.00042383 -0.0006667 3.8097e-05 2.5045e+05 2024-05-08 04:50:46,594 INFO [main.py:798]
{rank 0/64} MD step = 144000 step time: 00:00:00.151584 Performance: 65.446 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 04:51:17,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144000 28800 60.053 -32613 6581.9 -39195 -39195 -0.00045717 -0.00038097 -0.00052384 2.5059e+05 2024-05-08 04:51:33,309 INFO [main.py:798]
{rank 0/64} MD step = 144100 step time: 00:00:00.156031 Performance: 65.411 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 04:51:41,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144100 28820 59.094 -32767 6476.8 -39244 -39244 0 -0.00028573 -0.00062384 2.5077e+05 2024-05-08 04:51:56,727 INFO [main.py:798]
{rank 0/64} MD step = 144200 step time: 00:00:00.151440 Performance: 65.416 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 04:52:06,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144200 28840 60.051 -32594 6581.7 -39175 -39175 -0.00051431 -0.00045717 -0.00015239 2.5096e+05 2024-05-08 04:52:21,823 INFO [main.py:798]
{rank 0/64} MD step = 144300 step time: 00:00:00.154937 Performance: 65.419 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 04:52:29,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144300 28860 60.267 -32534 6605.3 -39140 -39140 -0.00045717 -0.00034288 -0.00041907 2.5111e+05 2024-05-08 04:52:44,933 INFO [main.py:798]
{rank 0/64} MD step = 144400 step time: 00:00:00.146269 Performance: 65.424 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 04:52:54,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144400 28880 60.425 -32519 6622.7 -39142 -39142 -0.00020954 -0.00051431 -0.00013334 2.5133e+05 2024-05-08 04:53:11,681 INFO [main.py:798]
{rank 0/64} MD step = 144500 step time: 00:00:00.145058 Performance: 65.424 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 04:53:24,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144500 28900 60.011 -32632 6577.3 -39209 -39209 -0.0004286 -0.00025716 -0.00028573 2.5149e+05 2024-05-08 04:53:39,690 INFO [main.py:798]
{rank 0/64} MD step = 144600 step time: 00:00:00.156640 Performance: 65.421 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 04:53:47,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144600 28920 59.813 -32589 6555.6 -39144 -39144 -0.00016668 -0.00055241 0 2.5166e+05 2024-05-08 04:54:02,566 INFO [main.py:798]
{rank 0/64} MD step = 144700 step time: 00:00:00.150742 Performance: 65.427 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 04:54:08,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144700 28940 59.277 -32658 6496.8 -39155 -39155 -0.00020001 -0.00030478 -0.00017144 2.5185e+05 2024-05-08 04:54:22,801 INFO [main.py:798]
{rank 0/64} MD step = 144800 step time: 00:00:00.150753 Performance: 65.438 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 04:54:31,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144800 28960 59.659 -32606 6538.8 -39145 -39145 -0.00049527 -0.00064766 -5.7146e-05 2.5203e+05 2024-05-08 04:54:46,871 INFO [main.py:798]
{rank 0/64} MD step = 144900 step time: 00:00:00.156277 Performance: 65.442 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 04:55:13,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144900 28980 60.337 -32513 6613 -39126 -39126 -0.00038097 -0.00051431 -0.00041907 2.5224e+05 2024-05-08 04:55:28,826 INFO [main.py:798]
{rank 0/64} MD step = 145000 step time: 00:00:00.146819 Performance: 65.415 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 04:55:53,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145000 29000 59.629 -32634 6535.4 -39169 -39169 -0.00022858 -0.00048098 -0.00068575 2.524e+05 2024-05-08 04:56:07,639 INFO [main.py:798]
{rank 0/64} MD step = 145100 step time: 00:00:00.143310 Performance: 65.394 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 04:56:16,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145100 29020 60.506 -32586 6631.6 -39217 -39217 -0.00013334 -0.00043812 -0.00047622 2.5253e+05 2024-05-08 04:56:32,169 INFO [main.py:798]
{rank 0/64} MD step = 145200 step time: 00:00:00.149235 Performance: 65.397 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 04:56:44,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145200 29040 60.038 -32402 6580.2 -38982 -38982 -0.00040002 -0.00083814 -0.00064766 2.5273e+05 2024-05-08 04:56:59,577 INFO [main.py:798]
{rank 0/64} MD step = 145300 step time: 00:00:00.150321 Performance: 65.395 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 04:57:12,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145300 29060 59.811 -32652 6555.4 -39207 -39207 -0.0004905 -0.00043812 -0.00072385 2.5289e+05 2024-05-08 04:57:27,853 INFO [main.py:798]
{rank 0/64} MD step = 145400 step time: 00:00:00.153694 Performance: 65.392 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 04:57:34,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145400 29080 59.84 -32612 6558.5 -39170 -39170 -0.00026192 -0.00049527 -0.00057146 2.5309e+05 2024-05-08 04:57:49,675 INFO [main.py:798]
{rank 0/64} MD step = 145500 step time: 00:00:00.162608 Performance: 65.400 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 04:58:02,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145500 29100 59.818 -32533 6556.1 -39089 -39089 -0.00022382 -0.0004286 -6.667e-05 2.5326e+05 2024-05-08 04:58:17,575 INFO [main.py:798]
{rank 0/64} MD step = 145600 step time: 00:00:00.163032 Performance: 65.398 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 04:58:24,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145600 29120 59.87 -32504 6561.8 -39066 -39066 0.00014287 -0.00026668 -0.00017144 2.5343e+05 2024-05-08 04:58:40,204 INFO [main.py:798]
{rank 0/64} MD step = 145700 step time: 00:00:00.159401 Performance: 65.404 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 04:58:48,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145700 29140 60.571 -32572 6638.6 -39210 -39210 -0.00026668 -0.00022858 -0.00053336 2.536e+05 2024-05-08 04:59:04,070 INFO [main.py:798]
{rank 0/64} MD step = 145800 step time: 00:00:00.167893 Performance: 65.408 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 04:59:10,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145800 29160 59.922 -32622 6567.6 -39190 -39190 -0.00016191 -0.00037145 -0.00026668 2.5375e+05 2024-05-08 04:59:26,127 INFO [main.py:798]
{rank 0/64} MD step = 145900 step time: 00:00:00.160885 Performance: 65.416 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 04:59:50,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145900 29180 60.393 -32425 6619.2 -39044 -39044 -0.00043812 0.00010477 -1.9049e-05 2.5394e+05 2024-05-08 05:00:04,872 INFO [main.py:798]
{rank 0/64} MD step = 146000 step time: 00:00:00.149663 Performance: 65.395 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 05:00:22,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146000 29200 59.498 -32585 6521.1 -39106 -39106 0.00030478 -0.00045717 -6.667e-05 2.5407e+05 2024-05-08 05:00:38,183 INFO [main.py:798]
{rank 0/64} MD step = 146100 step time: 00:00:00.158100 Performance: 65.383 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 05:00:44,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146100 29220 59.044 -32781 6471.3 -39252 -39252 -0.00026668 -0.00059051 -0.00015239 2.5421e+05 2024-05-08 05:01:00,355 INFO [main.py:798]
{rank 0/64} MD step = 146200 step time: 00:00:00.153569 Performance: 65.390 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 05:01:11,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146200 29240 60.257 -32616 6604.3 -39220 -39220 -0.00032621 -0.00072385 3.8097e-05 2.5438e+05 2024-05-08 05:01:27,326 INFO [main.py:798]
{rank 0/64} MD step = 146300 step time: 00:00:00.157621 Performance: 65.389 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 05:01:34,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146300 29260 60.025 -32509 6578.8 -39088 -39088 -0.00022858 -0.00015239 -2.8573e-05 2.5457e+05 2024-05-08 05:01:50,545 INFO [main.py:798]
{rank 0/64} MD step = 146400 step time: 00:00:00.161452 Performance: 65.395 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 05:01:57,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146400 29280 59.6 -32653 6532.2 -39185 -39185 -0.00030478 -0.00038097 -0.00057146 2.5474e+05 2024-05-08 05:02:12,880 INFO [main.py:798]
{rank 0/64} MD step = 146500 step time: 00:00:00.159225 Performance: 65.402 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:02:20,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146500 29300 60.718 -32503 6654.8 -39158 -39158 -0.00022858 -0.00040002 -0.00051431 2.5492e+05 2024-05-08 05:02:36,020 INFO [main.py:798]
{rank 0/64} MD step = 146600 step time: 00:00:00.163560 Performance: 65.407 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:02:45,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146600 29320 59.589 -32543 6531 -39074 -39074 -0.00026668 -0.00043812 -0.00076195 2.5511e+05 2024-05-08 05:03:00,758 INFO [main.py:798]
{rank 0/64} MD step = 146700 step time: 00:00:00.157564 Performance: 65.410 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:03:07,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146700 29340 59.789 -32610 6552.9 -39163 -39163 -0.00041907 -0.00040002 -9.5243e-05 2.5528e+05 2024-05-08 05:03:22,983 INFO [main.py:798]
{rank 0/64} MD step = 146800 step time: 00:00:00.164941 Performance: 65.417 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:03:30,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146800 29360 59.561 -32664 6527.9 -39192 -39192 -0.00043812 -0.00033335 -0.00041907 2.5544e+05 2024-05-08 05:03:46,686 INFO [main.py:798]
{rank 0/64} MD step = 146900 step time: 00:00:00.164790 Performance: 65.422 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:04:00,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146900 29380 61.159 -32412 6703.1 -39115 -39115 -0.0003524 -0.0003905 -0.00058099 2.5561e+05 2024-05-08 05:04:19,755 INFO [main.py:798]
{rank 0/64} MD step = 147000 step time: 00:00:00.148758 Performance: 65.411 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:04:38,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147000 29400 59.867 -32640 6561.5 -39201 -39201 -0.00041907 -0.00045717 -0.00062861 2.5579e+05 2024-05-08 05:04:52,093 INFO [main.py:798]
{rank 0/64} MD step = 147100 step time: 00:00:00.141792 Performance: 65.401 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:05:03,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147100 29420 60.242 -32620 6602.6 -39223 -39223 -0.00026668 -0.00038574 0 2.5596e+05 2024-05-08 05:05:20,533 INFO [main.py:798]
{rank 0/64} MD step = 147200 step time: 00:00:00.160822 Performance: 65.397 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:05:27,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147200 29440 60.465 -32503 6627.1 -39130 -39130 -0.00011429 -0.00028573 -7.6195e-05 2.5616e+05 2024-05-08 05:05:42,918 INFO [main.py:798]
{rank 0/64} MD step = 147300 step time: 00:00:00.155164 Performance: 65.404 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:05:49,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147300 29460 60.406 -32573 6620.6 -39193 -39193 -9.5243e-06 -0.00017144 -0.00053336 2.5633e+05 2024-05-08 05:06:05,016 INFO [main.py:798]
{rank 0/64} MD step = 147400 step time: 00:00:00.155525 Performance: 65.411 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:06:12,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147400 29480 60.356 -32360 6615.1 -38975 -38975 -0.00040002 -0.00046669 -0.00057146 2.5654e+05 2024-05-08 05:06:28,084 INFO [main.py:798]
{rank 0/64} MD step = 147500 step time: 00:00:00.147653 Performance: 65.417 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:06:33,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147500 29500 59.683 -32683 6541.3 -39224 -39224 -0.00038097 -0.00064766 -0.00049527 2.5669e+05 2024-05-08 05:06:49,387 INFO [main.py:798]
{rank 0/64} MD step = 147600 step time: 00:00:00.145892 Performance: 65.426 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:06:57,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147600 29520 60.842 -32532 6668.3 -39200 -39200 -0.00032383 7.6195e-05 -0.00059051 2.5689e+05 2024-05-08 05:07:13,102 INFO [main.py:798]
{rank 0/64} MD step = 147700 step time: 00:00:00.151039 Performance: 65.430 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:07:20,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147700 29540 60.132 -32613 6590.6 -39203 -39203 -0.00038097 -0.00040002 -0.0007429 2.5704e+05 2024-05-08 05:07:36,087 INFO [main.py:798]
{rank 0/64} MD step = 147800 step time: 00:00:00.147580 Performance: 65.436 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:07:41,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147800 29560 59.558 -32588 6527.6 -39115 -39115 -0.00022858 -0.00034288 -0.00012382 2.5725e+05 2024-05-08 05:07:59,183 INFO [main.py:798]
{rank 0/64} MD step = 147900 step time: 00:00:00.148770 Performance: 65.441 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:08:07,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147900 29580 60.551 -32491 6636.5 -39128 -39128 -0.00020954 9.7625e-05 -0.00059051 2.5742e+05 2024-05-08 05:08:22,930 INFO [main.py:798]
{rank 0/64} MD step = 148000 step time: 00:00:00.146098 Performance: 65.446 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:08:42,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148000 29600 59.637 -32568 6536.3 -39104 -39104 -0.00024763 -0.00049527 -0.00053336 2.576e+05 2024-05-08 05:08:58,068 INFO [main.py:798]
{rank 0/64} MD step = 148100 step time: 00:00:00.140824 Performance: 65.431 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:09:17,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148100 29620 60.027 -32585 6579 -39164 -39164 -0.00047622 -0.00053336 -0.00020477 2.5777e+05 2024-05-08 05:09:31,533 INFO [main.py:798]
{rank 0/64} MD step = 148200 step time: 00:00:00.148090 Performance: 65.419 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:09:36,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148200 29640 59.002 -32802 6466.7 -39269 -39269 -0.00037145 -0.00052384 -5.7146e-05 2.5794e+05 2024-05-08 05:09:52,873 INFO [main.py:798]
{rank 0/64} MD step = 148300 step time: 00:00:00.150588 Performance: 65.428 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:10:04,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148300 29660 59.862 -32669 6561 -39230 -39230 -0.00032383 -0.00068099 0.00015239 2.5811e+05 2024-05-08 05:10:19,186 INFO [main.py:798]
{rank 0/64} MD step = 148400 step time: 00:00:00.154594 Performance: 65.428 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:10:27,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148400 29680 59.909 -32701 6566.1 -39267 -39267 -0.0003143 -0.00036193 -0.00041907 2.5824e+05 2024-05-08 05:10:42,551 INFO [main.py:798]
{rank 0/64} MD step = 148500 step time: 00:00:00.136840 Performance: 65.433 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:10:52,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148500 29700 60.485 -32517 6629.2 -39146 -39146 -0.00038097 -0.00041907 -0.00054289 2.5844e+05 2024-05-08 05:11:08,686 INFO [main.py:798]
{rank 0/64} MD step = 148600 step time: 00:00:00.157289 Performance: 65.434 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:11:13,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148600 29720 59.851 -32551 6559.8 -39111 -39111 -0.00028573 -0.00060003 -0.00051431 2.586e+05 2024-05-08 05:11:30,322 INFO [main.py:798]
{rank 0/64} MD step = 148700 step time: 00:00:00.139078 Performance: 65.442 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:11:37,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148700 29740 59.906 -32647 6565.7 -39212 -39212 -0.00026668 -0.00037145 5.7146e-05 2.5874e+05 2024-05-08 05:11:53,160 INFO [main.py:798]
{rank 0/64} MD step = 148800 step time: 00:00:00.154661 Performance: 65.447 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:12:13,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148800 29760 60.418 -32587 6621.9 -39209 -39209 -0.00011429 -0.00040002 -0.00049527 2.5893e+05 2024-05-08 05:12:28,615 INFO [main.py:798]
{rank 0/64} MD step = 148900 step time: 00:00:00.135933 Performance: 65.432 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:12:39,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148900 29780 60.062 -32490 6582.9 -39073 -39073 -0.00019049 -0.00034288 -0.0007048 2.5912e+05 2024-05-08 05:12:54,073 INFO [main.py:798]
{rank 0/64} MD step = 149000 step time: 00:00:00.145426 Performance: 65.434 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 05:13:12,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149000 29800 60.039 -32626 6580.3 -39206 -39206 -0.0003524 -0.00045717 -0.00028573 2.5927e+05 2024-05-08 05:13:27,411 INFO [main.py:798]
{rank 0/64} MD step = 149100 step time: 00:00:00.147539 Performance: 65.422 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 05:13:48,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149100 29820 60.015 -32586 6577.7 -39164 -39164 -0.00044288 -0.0002524 -0.00046669 2.5947e+05 2024-05-08 05:14:03,262 INFO [main.py:798]
{rank 0/64} MD step = 149200 step time: 00:00:00.138964 Performance: 65.407 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:14:13,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149200 29840 59.738 -32556 6547.3 -39104 -39104 -0.0003143 -0.00047622 2.8573e-05 2.5961e+05 2024-05-08 05:14:30,005 INFO [main.py:798]
{rank 0/64} MD step = 149300 step time: 00:00:00.162357 Performance: 65.406 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:14:41,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149300 29860 61.066 -32494 6692.9 -39187 -39187 -0.00049527 -0.00059051 -0.00029525 2.5978e+05 2024-05-08 05:14:56,144 INFO [main.py:798]
{rank 0/64} MD step = 149400 step time: 00:00:00.149054 Performance: 65.407 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:15:12,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149400 29880 60.207 -32643 6598.8 -39242 -39242 -0.00040002 -0.00040955 3.8097e-05 2.5997e+05 2024-05-08 05:15:27,909 INFO [main.py:798]
{rank 0/64} MD step = 149500 step time: 00:00:00.141971 Performance: 65.398 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:15:41,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149500 29900 61.011 -32539 6686.9 -39226 -39226 -0.0004286 -0.00019049 -0.00028573 2.6015e+05 2024-05-08 05:15:57,356 INFO [main.py:798]
{rank 0/64} MD step = 149600 step time: 00:00:00.154797 Performance: 65.393 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 05:16:03,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149600 29920 59.932 -32624 6568.6 -39193 -39193 -0.00040002 -0.00060956 -0.00041907 2.6031e+05 2024-05-08 05:16:20,194 INFO [main.py:798]
{rank 0/64} MD step = 149700 step time: 00:00:00.147940 Performance: 65.399 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:16:27,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149700 29940 59.463 -32648 6517.3 -39165 -39165 0.00022858 -0.00059051 -0.00047146 2.605e+05 2024-05-08 05:16:42,888 INFO [main.py:798]
{rank 0/64} MD step = 149800 step time: 00:00:00.156839 Performance: 65.405 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:16:53,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149800 29960 60.788 -32407 6662.4 -39070 -39070 -0.00043812 -0.00047622 3.8097e-05 2.607e+05 2024-05-08 05:17:08,743 INFO [main.py:798]
{rank 0/64} MD step = 149900 step time: 00:00:00.160654 Performance: 65.406 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:17:18,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149900 29980 59.974 -32595 6573.3 -39169 -39169 5.7146e-05 -0.00067623 3.8097e-05 2.6087e+05 2024-05-08 05:17:33,735 INFO [main.py:798]
{rank 0/64} MD step = 150000 step time: 00:00:00.155133 Performance: 65.408 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 05:17:57,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150000 30000 60.261 -32477 6604.6 -39081 -39081 -0.00047622 -0.00057146 -0.00049527 2.6106e+05 2024-05-08 05:18:12,390 INFO [main.py:798]
{rank 0/64} MD step = 150100 step time: 00:00:00.146540 Performance: 65.388 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 05:18:38,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150100 30020 60.475 -32482 6628.1 -39111 -39111 -0.00026668 -0.0004286 -0.00057146 2.6122e+05 2024-05-08 05:18:54,255 INFO [main.py:798]
{rank 0/64} MD step = 150200 step time: 00:00:00.151933 Performance: 65.363 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:19:03,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150200 30040 60.441 -32526 6624.4 -39150 -39150 -0.00040002 -0.00057146 -0.00061908 2.6139e+05 2024-05-08 05:19:18,193 INFO [main.py:798]
{rank 0/64} MD step = 150300 step time: 00:00:00.153754 Performance: 65.367 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:19:28,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150300 30060 61.004 -32456 6686.1 -39142 -39142 -0.00030478 -0.00038097 -0.00056194 2.6158e+05 2024-05-08 05:19:42,922 INFO [main.py:798]
{rank 0/64} MD step = 150400 step time: 00:00:00.139970 Performance: 65.370 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:19:52,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150400 30080 60.517 -32613 6632.8 -39246 -39246 -0.0003905 -0.00029525 -0.0003905 2.6178e+05 2024-05-08 05:20:09,834 INFO [main.py:798]
{rank 0/64} MD step = 150500 step time: 00:00:00.157275 Performance: 65.369 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:20:23,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150500 30100 60.843 -32312 6668.5 -38981 -38981 -0.00030478 -0.00055241 6.667e-05 2.6198e+05 2024-05-08 05:20:38,398 INFO [main.py:798]
{rank 0/64} MD step = 150600 step time: 00:00:00.159532 Performance: 65.365 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:20:44,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150600 30120 61.008 -32476 6686.6 -39163 -39163 -0.00038097 -0.00076195 -0.00017144 2.6212e+05 2024-05-08 05:21:00,076 INFO [main.py:798]
{rank 0/64} MD step = 150700 step time: 00:00:00.162787 Performance: 65.373 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:21:10,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150700 30140 59.745 -32646 6548.1 -39194 -39194 -0.0003143 -0.00060956 -0.00064766 2.6229e+05 2024-05-08 05:21:25,549 INFO [main.py:798]
{rank 0/64} MD step = 150800 step time: 00:00:00.187297 Performance: 65.375 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:21:36,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150800 30160 59.231 -32688 6491.8 -39179 -39179 -0.00026668 -0.00036193 -1.4287e-05 2.6249e+05 2024-05-08 05:21:54,874 INFO [main.py:798]
{rank 0/64} MD step = 150900 step time: 00:00:00.160317 Performance: 65.370 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:22:08,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150900 30180 60.285 -32570 6607.3 -39177 -39177 -1.9049e-05 -0.00057146 -5.7146e-05 2.6266e+05 2024-05-08 05:22:22,512 INFO [main.py:798]
{rank 0/64} MD step = 151000 step time: 00:00:00.140367 Performance: 65.368 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:22:48,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151000 30200 60.674 -32396 6649.9 -39046 -39046 -0.00041907 -0.00037621 -0.00034288 2.6287e+05 2024-05-08 05:23:02,276 INFO [main.py:798]
{rank 0/64} MD step = 151100 step time: 00:00:00.152012 Performance: 65.346 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:23:17,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151100 30220 59.875 -32549 6562.3 -39112 -39112 -0.00038097 -0.00064766 -0.0006667 2.6303e+05 2024-05-08 05:23:32,724 INFO [main.py:798]
{rank 0/64} MD step = 151200 step time: 00:00:00.150370 Performance: 65.340 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:23:43,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151200 30240 60.084 -32621 6585.3 -39206 -39206 -0.00026668 -0.00055241 -0.00037145 2.6324e+05 2024-05-08 05:23:58,632 INFO [main.py:798]
{rank 0/64} MD step = 151300 step time: 00:00:00.144028 Performance: 65.340 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:24:07,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151300 30260 59.783 -32573 6552.3 -39125 -39125 -0.00036193 -0.00055241 -0.0006667 2.6339e+05 2024-05-08 05:24:26,353 INFO [main.py:798]
{rank 0/64} MD step = 151400 step time: 00:00:00.146004 Performance: 65.338 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:24:37,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151400 30280 59.744 -32738 6548 -39286 -39286 -0.00038097 -9.0481e-05 -6.667e-05 2.635e+05 2024-05-08 05:24:52,527 INFO [main.py:798]
{rank 0/64} MD step = 151500 step time: 00:00:00.143644 Performance: 65.339 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:25:05,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151500 30300 60.686 -32436 6651.2 -39087 -39087 -0.00038097 -0.00027621 -0.00020001 2.6372e+05 2024-05-08 05:25:20,190 INFO [main.py:798]
{rank 0/64} MD step = 151600 step time: 00:00:00.147808 Performance: 65.337 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:25:27,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 30320 59.918 -32609 6567.1 -39176 -39176 -0.00028573 -0.00061908 -0.00012382 2.6389e+05 2024-05-08 05:25:46,315 INFO [main.py:798]
{rank 0/64} MD step = 151700 step time: 00:00:00.157324 Performance: 65.337 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:26:00,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151700 30340 60.036 -32755 6580 -39335 -39335 -0.00037145 -0.00049527 -0.00024763 2.6402e+05 2024-05-08 05:26:15,706 INFO [main.py:798]
{rank 0/64} MD step = 151800 step time: 00:00:00.157364 Performance: 65.333 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:26:25,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151800 30360 60.688 -32542 6651.5 -39194 -39194 -0.00045717 -0.00049527 -0.00014763 2.6421e+05 2024-05-08 05:26:40,953 INFO [main.py:798]
{rank 0/64} MD step = 151900 step time: 00:00:00.146789 Performance: 65.335 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:27:00,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151900 30380 59.95 -32472 6570.6 -39043 -39043 -0.00040955 -0.00045717 0.00011429 2.6438e+05 2024-05-08 05:27:20,918 INFO [main.py:798]
{rank 0/64} MD step = 152000 step time: 00:00:00.146987 Performance: 65.313 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 05:27:44,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152000 30400 59.22 -32776 6490.6 -39266 -39266 -0.00047622 -0.00054289 -0.00068575 2.6456e+05 2024-05-08 05:27:59,752 INFO [main.py:798]
{rank 0/64} MD step = 152100 step time: 00:00:00.153144 Performance: 65.293 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 05:28:09,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152100 30420 59.957 -32573 6571.4 -39144 -39144 -5.2384e-05 -0.00063813 -0.00045717 2.6476e+05 2024-05-08 05:28:26,847 INFO [main.py:798]
{rank 0/64} MD step = 152200 step time: 00:00:00.154064 Performance: 65.291 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:28:37,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152200 30440 59.845 -32499 6559.1 -39058 -39058 -0.00047622 -0.00043812 -0.00051431 2.6495e+05 2024-05-08 05:28:55,035 INFO [main.py:798]
{rank 0/64} MD step = 152300 step time: 00:00:00.147883 Performance: 65.289 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:29:08,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152300 30460 60.142 -32463 6591.7 -39054 -39054 -0.00022858 -0.00068575 -0.00081909 2.6516e+05 2024-05-08 05:29:24,132 INFO [main.py:798]
{rank 0/64} MD step = 152400 step time: 00:00:00.139446 Performance: 65.284 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:29:36,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152400 30480 60.71 -32550 6653.9 -39204 -39204 -0.00017144 -0.00051431 -0.00053336 2.6531e+05 2024-05-08 05:29:52,314 INFO [main.py:798]
{rank 0/64} MD step = 152500 step time: 00:00:00.149379 Performance: 65.282 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:30:02,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152500 30500 59.994 -32620 6575.4 -39195 -39195 -0.00050479 -0.00050955 -0.00053336 2.6548e+05 2024-05-08 05:30:18,104 INFO [main.py:798]
{rank 0/64} MD step = 152600 step time: 00:00:00.147770 Performance: 65.283 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:30:28,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152600 30520 60.625 -32389 6644.6 -39034 -39034 -0.00026192 -0.00049527 1.9049e-05 2.6573e+05 2024-05-08 05:30:43,482 INFO [main.py:798]
{rank 0/64} MD step = 152700 step time: 00:00:00.151295 Performance: 65.285 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:30:54,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152700 30540 60.564 -32535 6637.9 -39173 -39173 -0.00051431 -0.0004286 -0.00017144 2.6588e+05 2024-05-08 05:31:09,967 INFO [main.py:798]
{rank 0/64} MD step = 152800 step time: 00:00:00.154796 Performance: 65.285 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:31:36,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152800 30560 59.538 -32559 6525.4 -39084 -39084 7.6195e-05 8.5719e-05 -0.00043812 2.6606e+05 2024-05-08 05:31:52,392 INFO [main.py:798]
{rank 0/64} MD step = 152900 step time: 00:00:00.152581 Performance: 65.259 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:32:18,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152900 30580 60.458 -32417 6626.3 -39043 -39043 -0.00038097 -0.00049527 -0.00022858 2.6625e+05 2024-05-08 05:32:33,386 INFO [main.py:798]
{rank 0/64} MD step = 153000 step time: 00:00:00.162501 Performance: 65.235 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 05:32:39,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153000 30600 59.79 -32601 6553 -39154 -39154 -0.00036669 -0.00049527 -0.0006667 2.6641e+05 2024-05-08 05:32:57,488 INFO [main.py:798]
{rank 0/64} MD step = 153100 step time: 00:00:00.156130 Performance: 65.239 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 05:33:07,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153100 30620 59.762 -32576 6550 -39126 -39126 -0.00026668 -0.0003143 0 2.6656e+05 2024-05-08 05:33:22,812 INFO [main.py:798]
{rank 0/64} MD step = 153200 step time: 00:00:00.155075 Performance: 65.241 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:33:31,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153200 30640 59.849 -32574 6559.5 -39134 -39134 -0.00045717 7.6195e-05 -0.00052384 2.6674e+05 2024-05-08 05:33:46,716 INFO [main.py:798]
{rank 0/64} MD step = 153300 step time: 00:00:00.145102 Performance: 65.245 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:33:56,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153300 30660 60.781 -32541 6661.7 -39203 -39203 -0.00027621 -7.6195e-05 -0.00016191 2.6687e+05 2024-05-08 05:34:11,686 INFO [main.py:798]
{rank 0/64} MD step = 153400 step time: 00:00:00.148343 Performance: 65.248 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:34:19,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153400 30680 59.341 -32696 6503.9 -39200 -39200 -0.00040955 -0.00068575 2.8573e-05 2.6706e+05 2024-05-08 05:34:34,505 INFO [main.py:798]
{rank 0/64} MD step = 153500 step time: 00:00:00.139445 Performance: 65.254 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:34:44,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153500 30700 60.173 -32456 6595 -39052 -39052 -0.00030478 -0.00040002 1.4287e-05 2.6725e+05 2024-05-08 05:35:01,297 INFO [main.py:798]
{rank 0/64} MD step = 153600 step time: 00:00:00.153543 Performance: 65.253 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:35:16,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153600 30720 59.587 -32628 6530.9 -39159 -39159 -0.00025716 -0.00058099 -0.00020001 2.6744e+05 2024-05-08 05:35:31,694 INFO [main.py:798]
{rank 0/64} MD step = 153700 step time: 00:00:00.157473 Performance: 65.247 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:35:43,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153700 30740 60.831 -32408 6667.2 -39076 -39076 -0.00037145 -0.00019049 -0.00068575 2.6762e+05 2024-05-08 05:35:59,302 INFO [main.py:798]
{rank 0/64} MD step = 153800 step time: 00:00:00.161061 Performance: 65.245 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:36:06,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153800 30760 59.81 -32540 6555.3 -39096 -39096 -0.00013334 -0.00068099 -0.00011429 2.6777e+05 2024-05-08 05:36:22,381 INFO [main.py:798]
{rank 0/64} MD step = 153900 step time: 00:00:00.158492 Performance: 65.250 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:36:30,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153900 30780 60.433 -32436 6623.6 -39059 -39059 -0.00022858 -0.00072385 -0.00057146 2.6794e+05 2024-05-08 05:36:46,291 INFO [main.py:798]
{rank 0/64} MD step = 154000 step time: 00:00:00.155464 Performance: 65.255 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:36:55,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154000 30800 60.219 -32564 6600.1 -39164 -39164 0.00022858 -0.00062861 -0.00030478 2.6808e+05 2024-05-08 05:37:12,020 INFO [main.py:798]
{rank 0/64} MD step = 154100 step time: 00:00:00.148432 Performance: 65.256 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:37:22,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154100 30820 59.544 -32736 6526.1 -39262 -39262 -0.00015239 -0.00021906 -0.00053336 2.6824e+05 2024-05-08 05:37:37,848 INFO [main.py:798]
{rank 0/64} MD step = 154200 step time: 00:00:00.155860 Performance: 65.257 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:37:48,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154200 30840 60.048 -32538 6581.3 -39120 -39120 -0.00030478 -0.00049527 -0.00022858 2.6845e+05 2024-05-08 05:38:03,118 INFO [main.py:798]
{rank 0/64} MD step = 154300 step time: 00:00:00.154840 Performance: 65.259 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:38:19,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154300 30860 58.945 -32711 6460.5 -39171 -39171 -0.00024763 -0.00067147 -0.00021906 2.6863e+05 2024-05-08 05:38:34,829 INFO [main.py:798]
{rank 0/64} MD step = 154400 step time: 00:00:00.155170 Performance: 65.250 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:38:53,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154400 30880 60.113 -32626 6588.4 -39215 -39215 -0.00023811 -0.00064766 7.6195e-05 2.6879e+05 2024-05-08 05:39:07,835 INFO [main.py:798]
{rank 0/64} MD step = 154500 step time: 00:00:00.145257 Performance: 65.240 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 05:39:16,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154500 30900 60.702 -32532 6653 -39185 -39185 -0.00049527 -0.00032383 -0.00028573 2.6895e+05 2024-05-08 05:39:31,841 INFO [main.py:798]
{rank 0/64} MD step = 154600 step time: 00:00:00.132790 Performance: 65.244 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:39:40,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154600 30920 60.338 -32532 6613.2 -39145 -39145 -0.00057146 -0.00072385 -0.00053336 2.6913e+05 2024-05-08 05:39:56,839 INFO [main.py:798]
{rank 0/64} MD step = 154700 step time: 00:00:00.199997 Performance: 65.246 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:40:03,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154700 30940 60.473 -32663 6627.9 -39291 -39291 -0.00048574 -0.00048574 -0.00034288 2.6929e+05 2024-05-08 05:40:20,148 INFO [main.py:798]
{rank 0/64} MD step = 154800 step time: 00:00:00.148380 Performance: 65.251 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:40:27,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154800 30960 60.022 -32380 6578.5 -38959 -38959 -0.00026668 -0.00064766 -0.00011429 2.6951e+05 2024-05-08 05:40:43,049 INFO [main.py:798]
{rank 0/64} MD step = 154900 step time: 00:00:00.143028 Performance: 65.257 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:40:50,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154900 30980 60.678 -32454 6650.4 -39105 -39105 0.00013334 -0.00041907 -0.00055717 2.6963e+05 2024-05-08 05:41:05,166 INFO [main.py:798]
{rank 0/64} MD step = 155000 step time: 00:00:00.152661 Performance: 65.264 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:41:15,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155000 31000 59.015 -32688 6468.1 -39156 -39156 -0.00037145 -0.00053813 -0.00051431 2.698e+05 2024-05-08 05:41:31,140 INFO [main.py:798]
{rank 0/64} MD step = 155100 step time: 00:00:00.149328 Performance: 65.265 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:41:44,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155100 31020 59.475 -32735 6518.6 -39254 -39254 -0.00020477 -0.00052384 -5.7146e-05 2.6996e+05 2024-05-08 05:42:00,197 INFO [main.py:798]
{rank 0/64} MD step = 155200 step time: 00:00:00.147482 Performance: 65.261 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:42:10,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155200 31040 59.748 -32534 6548.5 -39082 -39082 -0.00034288 -0.00041907 -0.00058099 2.7018e+05 2024-05-08 05:42:26,215 INFO [main.py:798]
{rank 0/64} MD step = 155300 step time: 00:00:00.153783 Performance: 65.261 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:42:34,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155300 31060 59.336 -32477 6503.3 -38981 -38981 -0.00038097 -0.00051431 -0.00055241 2.7039e+05 2024-05-08 05:42:50,075 INFO [main.py:798]
{rank 0/64} MD step = 155400 step time: 00:00:00.154237 Performance: 65.266 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:43:08,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155400 31080 60.146 -32485 6592 -39077 -39077 -6.667e-05 -0.00052384 -3.8097e-05 2.7054e+05 2024-05-08 05:43:23,415 INFO [main.py:798]
{rank 0/64} MD step = 155500 step time: 00:00:00.166033 Performance: 65.255 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:43:46,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155500 31100 60.644 -32529 6646.7 -39176 -39176 -0.00038097 -0.00022858 -0.00050479 2.7072e+05 2024-05-08 05:44:01,469 INFO [main.py:798]
{rank 0/64} MD step = 155600 step time: 00:00:00.154703 Performance: 65.236 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 05:44:09,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155600 31120 59.88 -32725 6562.9 -39288 -39288 -0.00011429 -0.00076195 1.9049e-05 2.7087e+05 2024-05-08 05:44:24,923 INFO [main.py:798]
{rank 0/64} MD step = 155700 step time: 00:00:00.158080 Performance: 65.241 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:44:31,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155700 31140 60.628 -32618 6644.9 -39263 -39263 -0.00045717 -0.00056194 -0.00052384 2.7104e+05 2024-05-08 05:44:45,733 INFO [main.py:798]
{rank 0/64} MD step = 155800 step time: 00:00:00.162815 Performance: 65.250 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:44:50,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155800 31160 59.754 -32687 6549.2 -39237 -39237 -0.00030478 -0.00037145 -0.00049527 2.7122e+05 2024-05-08 05:45:07,523 INFO [main.py:798]
{rank 0/64} MD step = 155900 step time: 00:00:00.159284 Performance: 65.258 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 05:45:16,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155900 31180 59.899 -32575 6565 -39140 -39140 -0.00032383 -0.00045717 -0.00077147 2.7142e+05 2024-05-08 05:45:31,230 INFO [main.py:798]
{rank 0/64} MD step = 156000 step time: 00:00:00.164701 Performance: 65.262 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:45:38,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156000 31200 58.59 -32710 6421.6 -39131 -39131 -0.00043812 -0.00053336 -0.00032383 2.7161e+05 2024-05-08 05:45:53,415 INFO [main.py:798]
{rank 0/64} MD step = 156100 step time: 00:00:00.163767 Performance: 65.269 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:45:59,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156100 31220 60.006 -32641 6576.7 -39218 -39218 7.6195e-05 -0.00030478 -0.00030478 2.7175e+05 2024-05-08 05:46:14,456 INFO [main.py:798]
{rank 0/64} MD step = 156200 step time: 00:00:00.157754 Performance: 65.277 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:46:21,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156200 31240 60.426 -32498 6622.8 -39121 -39121 -0.00033335 -0.0006048 -0.00026668 2.7193e+05 2024-05-08 05:46:36,759 INFO [main.py:798]
{rank 0/64} MD step = 156300 step time: 00:00:00.143982 Performance: 65.284 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:46:43,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156300 31260 59.8 -32506 6554.2 -39060 -39060 -0.00032383 -0.0003524 -0.00057146 2.7213e+05 2024-05-08 05:46:58,583 INFO [main.py:798]
{rank 0/64} MD step = 156400 step time: 00:00:00.144393 Performance: 65.291 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:47:05,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156400 31280 59.502 -32680 6521.5 -39202 -39202 -0.00026668 0.00013334 -0.000781 2.7228e+05 2024-05-08 05:47:21,211 INFO [main.py:798]
{rank 0/64} MD step = 156500 step time: 00:00:00.146190 Performance: 65.297 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 05:47:38,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156500 31300 60.478 -32508 6628.4 -39136 -39136 -0.00028573 -0.00060956 -0.00041907 2.7247e+05 2024-05-08 05:47:53,453 INFO [main.py:798]
{rank 0/64} MD step = 156600 step time: 00:00:00.143505 Performance: 65.288 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:48:15,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156600 31320 60.401 -32468 6620 -39088 -39088 -3.8097e-05 -0.00053336 -0.00062861 2.7264e+05 2024-05-08 05:48:30,522 INFO [main.py:798]
{rank 0/64} MD step = 156700 step time: 00:00:00.164710 Performance: 65.271 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 05:48:37,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156700 31340 59.874 -32667 6562.3 -39229 -39229 -0.00041907 -0.0005667 -0.00022858 2.728e+05 2024-05-08 05:48:52,492 INFO [main.py:798]
{rank 0/64} MD step = 156800 step time: 00:00:00.157472 Performance: 65.279 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:48:59,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156800 31360 60.485 -32427 6629.2 -39056 -39056 -5.7146e-05 -0.00046669 3.8097e-05 2.7301e+05 2024-05-08 05:49:14,852 INFO [main.py:798]
{rank 0/64} MD step = 156900 step time: 00:00:00.159802 Performance: 65.285 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:49:21,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156900 31380 59.404 -32687 6510.7 -39198 -39198 -0.00059051 -0.00049527 -0.00036193 2.7316e+05 2024-05-08 05:49:37,056 INFO [main.py:798]
{rank 0/64} MD step = 157000 step time: 00:00:00.159003 Performance: 65.292 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 05:49:45,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157000 31400 59.697 -32525 6542.8 -39067 -39067 -0.00043812 -0.00048574 -0.00034288 2.7336e+05 2024-05-08 05:50:01,146 INFO [main.py:798]
{rank 0/64} MD step = 157100 step time: 00:00:00.153345 Performance: 65.295 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 05:50:08,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157100 31420 59.898 -32619 6564.9 -39184 -39184 -0.00021906 -0.0003143 -0.00061908 2.7349e+05 2024-05-08 05:50:23,664 INFO [main.py:798]
{rank 0/64} MD step = 157200 step time: 00:00:00.158358 Performance: 65.302 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 05:50:30,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157200 31440 61.519 -32511 6742.5 -39254 -39254 -0.00026668 -0.00083814 -0.00036193 2.7367e+05 2024-05-08 05:50:45,271 INFO [main.py:798]
{rank 0/64} MD step = 157300 step time: 00:00:00.166156 Performance: 65.309 ns/day 0.367 hours/ns 3.779 steps/s 2024-05-08 05:50:50,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157300 31460 59.429 -32664 6513.5 -39177 -39177 -0.00023811 -0.00067623 3.8097e-05 2.7387e+05 2024-05-08 05:51:05,269 INFO [main.py:798]
{rank 0/64} MD step = 157400 step time: 00:00:00.170265 Performance: 65.319 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 05:51:11,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157400 31480 60.16 -32602 6593.6 -39196 -39196 -0.00053336 -0.00037145 -0.00064766 2.7408e+05 2024-05-08 05:51:27,315 INFO [main.py:798]
{rank 0/64} MD step = 157500 step time: 00:00:00.154872 Performance: 65.326 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 05:51:33,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157500 31500 59.825 -32550 6556.8 -39106 -39106 -0.00024763 -0.0004905 -0.00057146 2.7425e+05 2024-05-08 05:51:48,952 INFO [main.py:798]
{rank 0/64} MD step = 157600 step time: 00:00:00.157438 Performance: 65.334 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:52:04,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157600 31520 59.519 -32557 6523.3 -39081 -39081 -0.00041907 -0.00053336 -0.00010477 2.7443e+05 2024-05-08 05:52:20,020 INFO [main.py:798]
{rank 0/64} MD step = 157700 step time: 00:00:00.149881 Performance: 65.327 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 05:52:37,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157700 31540 59.776 -32477 6551.5 -39028 -39028 -0.00049527 -0.00057146 -0.00041907 2.7459e+05 2024-05-08 05:52:52,797 INFO [main.py:798]
{rank 0/64} MD step = 157800 step time: 00:00:00.139844 Performance: 65.317 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 05:53:00,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157800 31560 60.617 -32539 6643.7 -39182 -39182 -0.00038097 -0.0004905 -0.00076671 2.7472e+05 2024-05-08 05:53:15,249 INFO [main.py:798]
{rank 0/64} MD step = 157900 step time: 00:00:00.149022 Performance: 65.323 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 05:53:22,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157900 31580 59.317 -32654 6501.3 -39155 -39155 1.9049e-05 -0.00049527 -0.00050479 2.7489e+05 2024-05-08 05:53:38,951 INFO [main.py:798]
{rank 0/64} MD step = 158000 step time: 00:00:00.144137 Performance: 65.327 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:53:46,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158000 31600 59.725 -32582 6545.9 -39128 -39128 -0.00017144 -0.00051431 -0.00041907 2.7507e+05 2024-05-08 05:54:02,669 INFO [main.py:798]
{rank 0/64} MD step = 158100 step time: 00:00:00.153205 Performance: 65.332 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:54:08,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158100 31620 60.658 -32591 6648.2 -39239 -39239 -0.00047622 -0.00033811 -0.00052384 2.7526e+05 2024-05-08 05:54:24,662 INFO [main.py:798]
{rank 0/64} MD step = 158200 step time: 00:00:00.162105 Performance: 65.339 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 05:54:30,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158200 31640 59.373 -32647 6507.3 -39154 -39154 -0.00038097 -5.2384e-05 -0.00037145 2.754e+05 2024-05-08 05:54:46,612 INFO [main.py:798]
{rank 0/64} MD step = 158300 step time: 00:00:00.154960 Performance: 65.346 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:54:53,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158300 31660 60.142 -32491 6591.6 -39083 -39083 -0.00057146 -0.00053336 -0.00064766 2.7558e+05 2024-05-08 05:55:08,561 INFO [main.py:798]
{rank 0/64} MD step = 158400 step time: 00:00:00.148692 Performance: 65.353 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:55:15,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158400 31680 59.718 -32613 6545.2 -39159 -39159 0.0003143 -0.00049527 -0.00060956 2.7577e+05 2024-05-08 05:55:30,510 INFO [main.py:798]
{rank 0/64} MD step = 158500 step time: 00:00:00.144471 Performance: 65.360 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:55:36,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158500 31700 59.525 -32526 6524.1 -39050 -39050 -0.00051431 -0.00031907 -0.00077147 2.7597e+05 2024-05-08 05:55:54,679 INFO [main.py:798]
{rank 0/64} MD step = 158600 step time: 00:00:00.146412 Performance: 65.363 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:56:00,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158600 31720 59.887 -32653 6563.7 -39217 -39217 -0.00034288 -0.00053336 -0.00038097 2.7608e+05 2024-05-08 05:56:16,830 INFO [main.py:798]
{rank 0/64} MD step = 158700 step time: 00:00:00.167178 Performance: 65.370 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:56:31,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158700 31740 59.993 -32537 6575.4 -39112 -39112 -0.00038097 -0.00051431 -0.00043812 2.7628e+05 2024-05-08 05:56:46,321 INFO [main.py:798]
{rank 0/64} MD step = 158800 step time: 00:00:00.157607 Performance: 65.365 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:57:02,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158800 31760 58.791 -32709 6443.5 -39153 -39153 -0.00026668 -0.00045717 -0.00017144 2.7645e+05 2024-05-08 05:57:18,147 INFO [main.py:798]
{rank 0/64} MD step = 158900 step time: 00:00:00.149302 Performance: 65.357 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:57:32,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158900 31780 60.034 -32488 6579.8 -39068 -39068 -0.00030478 -0.00064766 -0.00049527 2.7664e+05 2024-05-08 05:57:47,786 INFO [main.py:798]
{rank 0/64} MD step = 159000 step time: 00:00:00.155349 Performance: 65.352 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:57:52,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159000 31800 59.474 -32654 6518.4 -39173 -39173 0.00011429 -0.00034288 -4.7622e-05 2.7677e+05 2024-05-08 05:58:10,425 INFO [main.py:798]
{rank 0/64} MD step = 159100 step time: 00:00:00.155911 Performance: 65.358 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:58:26,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159100 31820 59.732 -32700 6546.7 -39246 -39246 -9.5243e-06 -0.00053336 -0.00061432 2.7694e+05 2024-05-08 05:58:41,403 INFO [main.py:798]
{rank 0/64} MD step = 159200 step time: 00:00:00.162010 Performance: 65.351 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:58:48,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159200 31840 60.675 -32457 6650.1 -39107 -39107 -0.00024763 -0.00047622 -0.00046669 2.7712e+05 2024-05-08 05:59:03,888 INFO [main.py:798]
{rank 0/64} MD step = 159300 step time: 00:00:00.161091 Performance: 65.357 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 05:59:10,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159300 31860 60.471 -32549 6627.7 -39176 -39176 -0.00020954 -0.00047622 -1.9049e-05 2.7727e+05 2024-05-08 05:59:25,183 INFO [main.py:798]
{rank 0/64} MD step = 159400 step time: 00:00:00.140319 Performance: 65.365 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:59:32,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159400 31880 59.568 -32662 6528.7 -39190 -39190 -0.00033335 -0.00038097 -0.00047622 2.7745e+05 2024-05-08 05:59:47,877 INFO [main.py:798]
{rank 0/64} MD step = 159500 step time: 00:00:00.141602 Performance: 65.370 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 05:59:54,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159500 31900 59.773 -32525 6551.2 -39076 -39076 -0.00033335 -0.000781 -0.00015239 2.7765e+05 2024-05-08 06:00:10,033 INFO [main.py:798]
{rank 0/64} MD step = 159600 step time: 00:00:00.152946 Performance: 65.377 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:00:17,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159600 31920 60.23 -32594 6601.3 -39195 -39195 -0.00042383 -0.00037145 -0.00064766 2.7785e+05 2024-05-08 06:00:33,373 INFO [main.py:798]
{rank 0/64} MD step = 159700 step time: 00:00:00.149279 Performance: 65.382 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 06:00:41,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159700 31940 59.71 -32554 6544.3 -39098 -39098 -0.00022858 -0.00072385 0 2.7804e+05 2024-05-08 06:00:57,601 INFO [main.py:798]
{rank 0/64} MD step = 159800 step time: 00:00:00.158833 Performance: 65.385 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 06:01:24,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159800 31960 60.409 -32456 6620.9 -39077 -39077 -0.0004905 -0.00056194 -3.8097e-05 2.7823e+05 2024-05-08 06:01:38,955 INFO [main.py:798]
{rank 0/64} MD step = 159900 step time: 00:00:00.148431 Performance: 65.362 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:02:02,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159900 31980 59.387 -32581 6508.9 -39090 -39090 -0.00019049 -0.00045717 0.00010477 2.784e+05 2024-05-08 06:02:18,405 INFO [main.py:798]
{rank 0/64} MD step = 160000 step time: 00:00:00.148922 Performance: 65.342 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:02:47,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160000 32000 59.905 -32589 6565.6 -39155 -39155 -0.00025716 -0.00060003 -0.00060956 2.7858e+05 2024-05-08 06:03:03,701 INFO [main.py:798]
{rank 0/64} MD step = 160100 step time: 00:00:00.151687 Performance: 65.313 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:03:13,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160100 32020 60.662 -32485 6648.7 -39134 -39134 -0.00030478 3.8097e-05 -0.00060956 2.7878e+05 2024-05-08 06:03:29,242 INFO [main.py:798]
{rank 0/64} MD step = 160200 step time: 00:00:00.141003 Performance: 65.314 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:03:38,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160200 32040 60.53 -32542 6634.2 -39176 -39176 -1.9049e-05 -0.00062384 -4.7622e-05 2.7896e+05 2024-05-08 06:03:53,797 INFO [main.py:798]
{rank 0/64} MD step = 160300 step time: 00:00:00.151797 Performance: 65.317 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:04:02,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160300 32060 60.433 -32484 6623.5 -39108 -39108 -0.00010477 -0.0006667 -0.00015239 2.7914e+05 2024-05-08 06:04:18,859 INFO [main.py:798]
{rank 0/64} MD step = 160400 step time: 00:00:00.137651 Performance: 65.319 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:04:31,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160400 32080 59.699 -32645 6543.1 -39189 -39189 -0.0004405 -0.00036193 -0.00049527 2.7932e+05 2024-05-08 06:04:47,214 INFO [main.py:798]
{rank 0/64} MD step = 160500 step time: 00:00:00.138288 Performance: 65.317 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:04:55,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160500 32100 60.306 -32538 6609.6 -39148 -39148 -0.00024763 -0.00054765 -0.00022858 2.7949e+05 2024-05-08 06:05:12,008 INFO [main.py:798]
{rank 0/64} MD step = 160600 step time: 00:00:00.163817 Performance: 65.319 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:05:19,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160600 32120 60.533 -32432 6634.5 -39066 -39066 -0.00041907 -0.00057146 -0.00076195 2.7969e+05 2024-05-08 06:05:38,014 INFO [main.py:798]
{rank 0/64} MD step = 160700 step time: 00:00:00.160386 Performance: 65.320 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:05:59,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160700 32140 59.112 -32693 6478.8 -39172 -39172 -0.00020477 -0.0003143 -0.00038097 2.7985e+05 2024-05-08 06:06:14,691 INFO [main.py:798]
{rank 0/64} MD step = 160800 step time: 00:00:00.147316 Performance: 65.304 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:06:36,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160800 32160 60.658 -32436 6648.2 -39084 -39084 -0.00049527 -0.00028573 -0.0003905 2.8005e+05 2024-05-08 06:06:50,842 INFO [main.py:798]
{rank 0/64} MD step = 160900 step time: 00:00:00.144787 Performance: 65.289 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:06:59,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160900 32180 60.485 -32511 6629.3 -39140 -39140 -0.00040002 -0.00059051 -3.8097e-05 2.8023e+05 2024-05-08 06:07:15,437 INFO [main.py:798]
{rank 0/64} MD step = 161000 step time: 00:00:00.162357 Performance: 65.292 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:07:22,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161000 32200 59.789 -32560 6552.9 -39113 -39113 -0.00024763 -0.0004286 -0.00055241 2.8044e+05 2024-05-08 06:07:37,640 INFO [main.py:798]
{rank 0/64} MD step = 161100 step time: 00:00:00.160296 Performance: 65.299 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:07:44,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161100 32220 60.642 -32601 6646.5 -39248 -39248 0.00014287 -0.00049527 -0.00051431 2.8059e+05 2024-05-08 06:08:00,166 INFO [main.py:798]
{rank 0/64} MD step = 161200 step time: 00:00:00.163821 Performance: 65.305 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:08:05,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161200 32240 60.821 -32374 6666 -39040 -39040 -0.00041907 -0.00026668 -9.5243e-05 2.8076e+05 2024-05-08 06:08:22,414 INFO [main.py:798]
{rank 0/64} MD step = 161300 step time: 00:00:00.136413 Performance: 65.311 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:08:29,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161300 32260 59.256 -32640 6494.6 -39135 -39135 -0.00021906 -0.0007048 3.8097e-05 2.8093e+05 2024-05-08 06:08:45,948 INFO [main.py:798]
{rank 0/64} MD step = 161400 step time: 00:00:00.157867 Performance: 65.316 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:08:54,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161400 32280 60.091 -32659 6586 -39245 -39245 -0.00049527 -0.00049527 -0.00044764 2.8109e+05 2024-05-08 06:09:08,920 INFO [main.py:798]
{rank 0/64} MD step = 161500 step time: 00:00:00.152971 Performance: 65.321 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:09:16,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161500 32300 60.276 -32582 6606.3 -39188 -39188 -7.6195e-05 -0.00053336 -0.00040955 2.8129e+05 2024-05-08 06:09:33,321 INFO [main.py:798]
{rank 0/64} MD step = 161600 step time: 00:00:00.155152 Performance: 65.324 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:09:42,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161600 32320 60.232 -32611 6601.5 -39212 -39212 -0.00038097 0.00021906 -0.00073337 2.8144e+05 2024-05-08 06:09:57,499 INFO [main.py:798]
{rank 0/64} MD step = 161700 step time: 00:00:00.156103 Performance: 65.328 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:10:20,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161700 32340 60.058 -32630 6582.5 -39213 -39213 -0.00023097 -0.00045717 -0.00049527 2.8161e+05 2024-05-08 06:10:35,903 INFO [main.py:798]
{rank 0/64} MD step = 161800 step time: 00:00:00.167233 Performance: 65.309 ns/day 0.367 hours/ns 3.779 steps/s 2024-05-08 06:10:55,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161800 32360 60.341 -32534 6613.4 -39147 -39147 -0.00022858 -0.00064766 -0.00055241 2.8176e+05 2024-05-08 06:11:16,875 INFO [main.py:798]
{rank 0/64} MD step = 161900 step time: 00:00:00.159323 Performance: 65.287 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:11:27,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161900 32380 60.022 -32487 6578.5 -39065 -39065 -0.00022858 -0.00045717 -0.00040955 2.8197e+05 2024-05-08 06:11:42,187 INFO [main.py:798]
{rank 0/64} MD step = 162000 step time: 00:00:00.154620 Performance: 65.289 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:11:50,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162000 32400 60.569 -32506 6638.4 -39144 -39144 3.8097e-05 -6.667e-05 -1.4287e-05 2.8212e+05 2024-05-08 06:12:05,656 INFO [main.py:798]
{rank 0/64} MD step = 162100 step time: 00:00:00.161333 Performance: 65.293 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:12:17,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162100 32420 60.08 -32523 6584.8 -39108 -39108 0.00022858 -0.00049527 -0.00011429 2.8229e+05 2024-05-08 06:12:32,950 INFO [main.py:798]
{rank 0/64} MD step = 162200 step time: 00:00:00.141091 Performance: 65.292 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:12:40,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162200 32440 60.276 -32445 6606.4 -39052 -39052 -0.00034288 -0.00068575 -0.00058575 2.8248e+05 2024-05-08 06:12:56,162 INFO [main.py:798]
{rank 0/64} MD step = 162300 step time: 00:00:00.145163 Performance: 65.297 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:13:06,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162300 32460 59.643 -32735 6536.9 -39272 -39272 -0.00024763 -0.00079528 -0.00080957 2.826e+05 2024-05-08 06:13:22,258 INFO [main.py:798]
{rank 0/64} MD step = 162400 step time: 00:00:00.161431 Performance: 65.298 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:13:28,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162400 32480 59.084 -32866 6475.7 -39342 -39342 -0.00026668 -0.00010477 -0.00051431 2.8275e+05 2024-05-08 06:13:43,440 INFO [main.py:798]
{rank 0/64} MD step = 162500 step time: 00:00:00.151783 Performance: 65.306 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:13:54,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162500 32500 60.227 -32437 6601 -39038 -39038 -0.00051431 -0.00072385 -0.00040002 2.8293e+05 2024-05-08 06:14:10,224 INFO [main.py:798]
{rank 0/64} MD step = 162600 step time: 00:00:00.152461 Performance: 65.305 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:14:18,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162600 32520 59.845 -32627 6559.1 -39186 -39186 -0.00034288 -0.00043812 -0.00028573 2.8312e+05 2024-05-08 06:14:34,217 INFO [main.py:798]
{rank 0/64} MD step = 162700 step time: 00:00:00.153510 Performance: 65.309 ns/day 0.367 hours/ns 3.779 steps/s 2024-05-08 06:14:55,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162700 32540 60.321 -32493 6611.3 -39104 -39104 -0.00015239 -0.00026668 -0.00038097 2.833e+05 2024-05-08 06:15:10,466 INFO [main.py:798]
{rank 0/64} MD step = 162800 step time: 00:00:00.150429 Performance: 65.294 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:15:36,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162800 32560 59.794 -32543 6553.5 -39097 -39097 -0.00045717 -0.00060956 -0.00043812 2.8346e+05 2024-05-08 06:15:52,561 INFO [main.py:798]
{rank 0/64} MD step = 162900 step time: 00:00:00.153953 Performance: 65.271 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:15:59,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162900 32580 60.619 -32539 6643.9 -39183 -39183 -0.00051431 -0.00064766 1.9049e-05 2.8367e+05 2024-05-08 06:16:15,807 INFO [main.py:798]
{rank 0/64} MD step = 163000 step time: 00:00:00.151680 Performance: 65.275 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:16:27,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163000 32600 60.42 -32625 6622.1 -39247 -39247 -0.00033335 -0.00045717 -0.00034288 2.8383e+05 2024-05-08 06:16:42,902 INFO [main.py:798]
{rank 0/64} MD step = 163100 step time: 00:00:00.145812 Performance: 65.274 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:16:49,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163100 32620 59.99 -32523 6574.9 -39098 -39098 -0.00023811 -0.00045717 -0.0003905 2.8404e+05 2024-05-08 06:17:05,451 INFO [main.py:798]
{rank 0/64} MD step = 163200 step time: 00:00:00.164109 Performance: 65.280 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:17:14,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163200 32640 60.013 -32645 6577.5 -39222 -39222 0.00026668 -0.00051431 -0.00038097 2.8419e+05 2024-05-08 06:17:29,512 INFO [main.py:798]
{rank 0/64} MD step = 163300 step time: 00:00:00.146432 Performance: 65.284 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:17:37,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163300 32660 60.386 -32643 6618.4 -39262 -39262 -0.00026668 -0.00024763 -0.00024763 2.8435e+05 2024-05-08 06:17:53,157 INFO [main.py:798]
{rank 0/64} MD step = 163400 step time: 00:00:00.147764 Performance: 65.288 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:18:06,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163400 32680 60.745 -32400 6657.7 -39058 -39058 -0.00053336 -0.00048574 -0.00047622 2.8451e+05 2024-05-08 06:18:21,300 INFO [main.py:798]
{rank 0/64} MD step = 163500 step time: 00:00:00.158353 Performance: 65.286 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:18:29,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163500 32700 59.003 -32772 6466.8 -39238 -39238 -0.00038097 -0.00034288 -0.00043812 2.8468e+05 2024-05-08 06:18:45,088 INFO [main.py:798]
{rank 0/64} MD step = 163600 step time: 00:00:00.147299 Performance: 65.290 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:18:52,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163600 32720 59.544 -32538 6526.1 -39064 -39064 -0.00033811 -0.00047622 -0.00064766 2.8486e+05 2024-05-08 06:19:07,995 INFO [main.py:798]
{rank 0/64} MD step = 163700 step time: 00:00:00.141290 Performance: 65.295 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:19:35,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163700 32740 59.459 -32631 6516.8 -39148 -39148 -0.00045717 -0.00045717 -0.00036193 2.8502e+05 2024-05-08 06:19:50,641 INFO [main.py:798]
{rank 0/64} MD step = 163800 step time: 00:00:00.155990 Performance: 65.271 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:20:13,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163800 32760 59.864 -32526 6561.2 -39087 -39087 -0.00030478 -0.00055241 -0.00053336 2.8519e+05 2024-05-08 06:20:29,582 INFO [main.py:798]
{rank 0/64} MD step = 163900 step time: 00:00:00.158483 Performance: 65.252 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:20:37,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163900 32780 59.467 -32616 6517.7 -39134 -39134 -0.00025716 -0.00068575 -0.00071433 2.8532e+05 2024-05-08 06:20:53,043 INFO [main.py:798]
{rank 0/64} MD step = 164000 step time: 00:00:00.159580 Performance: 65.257 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:21:01,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164000 32800 59.948 -32562 6570.4 -39133 -39133 -0.0003524 -0.0004286 -0.00034288 2.855e+05 2024-05-08 06:21:16,902 INFO [main.py:798]
{rank 0/64} MD step = 164100 step time: 00:00:00.148692 Performance: 65.261 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:21:32,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164100 32820 59.397 -32694 6510 -39204 -39204 -0.00022382 -0.00059051 -0.00045717 2.8567e+05 2024-05-08 06:21:46,713 INFO [main.py:798]
{rank 0/64} MD step = 164200 step time: 00:00:00.155549 Performance: 65.256 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:21:59,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164200 32840 60.112 -32524 6588.3 -39112 -39112 -0.00031907 -0.00074766 -0.0006667 2.8586e+05 2024-05-08 06:22:14,743 INFO [main.py:798]
{rank 0/64} MD step = 164300 step time: 00:00:00.160029 Performance: 65.253 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:22:22,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164300 32860 60.356 -32632 6615.1 -39247 -39247 -0.00030478 -0.0003524 0 2.8602e+05 2024-05-08 06:22:37,362 INFO [main.py:798]
{rank 0/64} MD step = 164400 step time: 00:00:00.166206 Performance: 65.259 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:22:44,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164400 32880 59.897 -32598 6564.8 -39163 -39163 -1.9049e-05 -0.00038097 -0.00050479 2.8621e+05 2024-05-08 06:22:59,154 INFO [main.py:798]
{rank 0/64} MD step = 164500 step time: 00:00:00.167312 Performance: 65.266 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:23:06,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164500 32900 59.325 -32661 6502 -39163 -39163 -0.00015239 0 -7.6195e-05 2.8636e+05 2024-05-08 06:23:21,698 INFO [main.py:798]
{rank 0/64} MD step = 164600 step time: 00:00:00.136680 Performance: 65.272 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:23:29,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164600 32920 60.524 -32532 6633.5 -39165 -39165 -0.00026192 -0.00043812 -0.00051431 2.8654e+05 2024-05-08 06:23:44,812 INFO [main.py:798]
{rank 0/64} MD step = 164700 step time: 00:00:00.145902 Performance: 65.277 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:24:15,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164700 32940 59.397 -32614 6510 -39124 -39124 -0.00048574 -0.00043812 -0.00055241 2.8675e+05 2024-05-08 06:24:30,609 INFO [main.py:798]
{rank 0/64} MD step = 164800 step time: 00:00:00.151436 Performance: 65.248 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:24:51,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164800 32960 60.535 -32416 6634.7 -39051 -39051 -0.00032383 -0.00047622 -0.00038097 2.8694e+05 2024-05-08 06:25:07,602 INFO [main.py:798]
{rank 0/64} MD step = 164900 step time: 00:00:00.147009 Performance: 65.232 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 06:25:15,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164900 32980 60.374 -32632 6617 -39249 -39249 -0.00024287 -0.00050479 0.00013334 2.8709e+05 2024-05-08 06:25:30,790 INFO [main.py:798]
{rank 0/64} MD step = 165000 step time: 00:00:00.153255 Performance: 65.237 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 06:25:37,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165000 33000 59.736 -32535 6547.1 -39082 -39082 -0.00049527 -0.00049527 -0.00076195 2.8726e+05 2024-05-08 06:25:51,848 INFO [main.py:798]
{rank 0/64} MD step = 165100 step time: 00:00:00.155675 Performance: 65.245 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:25:57,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165100 33020 61.188 -32310 6706.3 -39016 -39016 -0.00045717 -0.00040002 -0.000781 2.8747e+05 2024-05-08 06:26:13,747 INFO [main.py:798]
{rank 0/64} MD step = 165200 step time: 00:00:00.142094 Performance: 65.252 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:26:20,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165200 33040 60.356 -32585 6615.1 -39200 -39200 -0.00022858 -0.00053336 -5.7146e-05 2.8764e+05 2024-05-08 06:26:35,872 INFO [main.py:798]
{rank 0/64} MD step = 165300 step time: 00:00:00.147153 Performance: 65.259 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:26:42,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165300 33060 59.392 -32691 6509.5 -39200 -39200 3.8097e-05 -0.00022858 -0.00083814 2.8783e+05 2024-05-08 06:26:58,143 INFO [main.py:798]
{rank 0/64} MD step = 165400 step time: 00:00:00.144207 Performance: 65.265 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:27:05,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165400 33080 59.905 -32432 6565.7 -38997 -38997 -0.00044764 0.00020954 -0.00072385 2.8799e+05 2024-05-08 06:27:21,262 INFO [main.py:798]
{rank 0/64} MD step = 165500 step time: 00:00:00.148987 Performance: 65.270 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:27:28,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165500 33100 59.945 -32572 6570.1 -39142 -39142 -0.00011429 -0.00049527 -0.00044764 2.8813e+05 2024-05-08 06:27:43,207 INFO [main.py:798]
{rank 0/64} MD step = 165600 step time: 00:00:00.159005 Performance: 65.277 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:27:53,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165600 33120 59.877 -32564 6562.6 -39127 -39127 -0.00036669 -0.00030478 -0.00080957 2.8831e+05 2024-05-08 06:28:11,234 INFO [main.py:798]
{rank 0/64} MD step = 165700 step time: 00:00:00.157284 Performance: 65.274 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:28:23,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165700 33140 59.039 -32603 6470.8 -39073 -39073 -3.8097e-05 -0.00048098 -7.6195e-05 2.8852e+05 2024-05-08 06:28:38,377 INFO [main.py:798]
{rank 0/64} MD step = 165800 step time: 00:00:00.146987 Performance: 65.273 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:29:04,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165800 33160 58.932 -32616 6459 -39075 -39075 -0.00032383 -0.00069528 -0.00041907 2.8869e+05 2024-05-08 06:29:19,039 INFO [main.py:798]
{rank 0/64} MD step = 165900 step time: 00:00:00.140761 Performance: 65.252 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:29:35,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165900 33180 60.58 -32450 6639.7 -39090 -39090 -0.00045717 -0.00025716 -0.00053336 2.8888e+05 2024-05-08 06:29:50,763 INFO [main.py:798]
{rank 0/64} MD step = 166000 step time: 00:00:00.141910 Performance: 65.245 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:29:56,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166000 33200 61.106 -32469 6697.3 -39166 -39166 -0.00025716 -0.00059051 -0.00053336 2.8901e+05 2024-05-08 06:30:12,989 INFO [main.py:798]
{rank 0/64} MD step = 166100 step time: 00:00:00.153550 Performance: 65.251 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:30:19,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166100 33220 59.773 -32594 6551.2 -39145 -39145 -0.00019049 -0.00026668 -0.00046669 2.8922e+05 2024-05-08 06:30:35,655 INFO [main.py:798]
{rank 0/64} MD step = 166200 step time: 00:00:00.174581 Performance: 65.257 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 06:30:44,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166200 33240 59.893 -32493 6564.4 -39057 -39057 -0.00040002 -0.0007048 -0.00062861 2.8939e+05 2024-05-08 06:30:59,870 INFO [main.py:798]
{rank 0/64} MD step = 166300 step time: 00:00:00.150427 Performance: 65.260 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:31:07,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166300 33260 60.034 -32634 6579.8 -39214 -39214 -0.00019049 -0.00049527 -0.00040002 2.8953e+05 2024-05-08 06:31:22,337 INFO [main.py:798]
{rank 0/64} MD step = 166400 step time: 00:00:00.152857 Performance: 65.266 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:31:29,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166400 33280 60.585 -32394 6640.2 -39034 -39034 -0.00040002 -0.00024763 -0.00051431 2.8976e+05 2024-05-08 06:31:45,504 INFO [main.py:798]
{rank 0/64} MD step = 166500 step time: 00:00:00.178915 Performance: 65.271 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:31:50,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166500 33300 59.726 -32508 6546.1 -39055 -39055 -0.0003524 -0.00038097 -0.00041907 2.8995e+05 2024-05-08 06:32:06,713 INFO [main.py:798]
{rank 0/64} MD step = 166600 step time: 00:00:00.159415 Performance: 65.279 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:32:15,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166600 33320 59.269 -32663 6496 -39159 -39159 -0.00028573 -0.00044764 -0.00051431 2.901e+05 2024-05-08 06:32:30,361 INFO [main.py:798]
{rank 0/64} MD step = 166700 step time: 00:00:00.152164 Performance: 65.283 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:32:36,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166700 33340 59.192 -32712 6487.5 -39199 -39199 -9.5243e-05 7.6195e-05 -0.00072385 2.9031e+05 2024-05-08 06:32:51,733 INFO [main.py:798]
{rank 0/64} MD step = 166800 step time: 00:00:00.143054 Performance: 65.290 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:33:12,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166800 33360 60.137 -32635 6591.1 -39226 -39226 -0.00040002 -0.00053336 -0.00052384 2.9049e+05 2024-05-08 06:33:27,637 INFO [main.py:798]
{rank 0/64} MD step = 166900 step time: 00:00:00.153133 Performance: 65.276 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:33:42,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166900 33380 59.742 -32540 6547.8 -39088 -39088 -0.00026668 -0.00045717 -0.00038097 2.9066e+05 2024-05-08 06:34:06,070 INFO [main.py:798]
{rank 0/64} MD step = 167000 step time: 00:00:00.155080 Performance: 65.259 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:34:12,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167000 33400 60.395 -32599 6619.3 -39219 -39219 -0.00020954 0.00013334 -0.00017144 2.9083e+05 2024-05-08 06:34:28,402 INFO [main.py:798]
{rank 0/64} MD step = 167100 step time: 00:00:00.154367 Performance: 65.265 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:34:35,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167100 33420 60.539 -32468 6635.2 -39103 -39103 -0.00040002 -0.00033335 -0.00054289 2.9102e+05 2024-05-08 06:34:50,878 INFO [main.py:798]
{rank 0/64} MD step = 167200 step time: 00:00:00.143800 Performance: 65.271 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:35:00,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167200 33440 59.856 -32593 6560.3 -39153 -39153 -0.00015715 -0.00057146 -0.00064766 2.9118e+05 2024-05-08 06:35:15,626 INFO [main.py:798]
{rank 0/64} MD step = 167300 step time: 00:00:00.186374 Performance: 65.273 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:35:23,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167300 33460 61.109 -32501 6697.6 -39198 -39198 -7.6195e-05 -0.00040002 -0.000781 2.9134e+05 2024-05-08 06:35:38,319 INFO [main.py:798]
{rank 0/64} MD step = 167400 step time: 00:00:00.156216 Performance: 65.279 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:35:45,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167400 33480 59.552 -32679 6526.9 -39206 -39206 -5.7146e-05 -0.0004286 -2.8573e-05 2.915e+05 2024-05-08 06:36:00,977 INFO [main.py:798]
{rank 0/64} MD step = 167500 step time: 00:00:00.152158 Performance: 65.284 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:36:06,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167500 33500 59.5 -32700 6521.2 -39221 -39221 -0.00034288 -0.00047622 -0.00011429 2.9169e+05 2024-05-08 06:36:22,139 INFO [main.py:798]
{rank 0/64} MD step = 167600 step time: 00:00:00.149995 Performance: 65.292 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:36:31,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167600 33520 60.949 -32482 6680 -39163 -39163 -0.00028573 -0.00032383 -7.6195e-05 2.9189e+05 2024-05-08 06:36:47,298 INFO [main.py:798]
{rank 0/64} MD step = 167700 step time: 00:00:00.161926 Performance: 65.294 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:36:57,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167700 33540 59.725 -32687 6545.9 -39233 -39233 -0.0002524 -0.00059051 -5.7146e-05 2.9206e+05 2024-05-08 06:37:13,246 INFO [main.py:798]
{rank 0/64} MD step = 167800 step time: 00:00:00.172911 Performance: 65.295 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:37:26,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167800 33560 59.946 -32654 6570.2 -39224 -39224 -0.00024763 -0.00057146 -0.00015239 2.9222e+05 2024-05-08 06:37:41,276 INFO [main.py:798]
{rank 0/64} MD step = 167900 step time: 00:00:00.143510 Performance: 65.293 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:38:05,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167900 33580 60.144 -32667 6591.8 -39259 -39259 -0.00026192 -0.00062861 -0.00034288 2.9242e+05 2024-05-08 06:38:20,423 INFO [main.py:798]
{rank 0/64} MD step = 168000 step time: 00:00:00.150856 Performance: 65.274 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:38:32,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168000 33600 60.266 -32591 6605.3 -39196 -39196 0.00028573 0.00013334 -0.00067623 2.9261e+05 2024-05-08 06:38:47,819 INFO [main.py:798]
{rank 0/64} MD step = 168100 step time: 00:00:00.167353 Performance: 65.273 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 06:38:53,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168100 33620 60.071 -32541 6583.8 -39125 -39125 -0.00049527 -0.00047622 -0.00018096 2.9276e+05 2024-05-08 06:39:10,919 INFO [main.py:798]
{rank 0/64} MD step = 168200 step time: 00:00:00.159414 Performance: 65.278 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:39:17,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168200 33640 60.153 -32675 6592.8 -39268 -39268 -0.00053336 -0.00036193 -0.00043812 2.9293e+05 2024-05-08 06:39:33,247 INFO [main.py:798]
{rank 0/64} MD step = 168300 step time: 00:00:00.149992 Performance: 65.284 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:39:37,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168300 33660 60.338 -32418 6613.2 -39031 -39031 -0.00042383 -0.00051908 -0.00057146 2.9314e+05 2024-05-08 06:39:54,929 INFO [main.py:798]
{rank 0/64} MD step = 168400 step time: 00:00:00.159820 Performance: 65.291 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 06:40:02,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168400 33680 59.545 -32734 6526.2 -39260 -39260 -0.00022858 -0.00031668 -0.00062861 2.9327e+05 2024-05-08 06:40:18,451 INFO [main.py:798]
{rank 0/64} MD step = 168500 step time: 00:00:00.165203 Performance: 65.295 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:40:24,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168500 33700 60.158 -32559 6593.4 -39152 -39152 -0.00049527 -0.00040002 -0.00045717 2.9348e+05 2024-05-08 06:40:41,145 INFO [main.py:798]
{rank 0/64} MD step = 168600 step time: 00:00:00.169259 Performance: 65.300 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:40:45,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168600 33720 59.73 -32645 6546.5 -39191 -39191 -0.00019049 -0.00037145 -0.0004286 2.9362e+05 2024-05-08 06:41:01,374 INFO [main.py:798]
{rank 0/64} MD step = 168700 step time: 00:00:00.155609 Performance: 65.310 ns/day 0.367 hours/ns 3.779 steps/s 2024-05-08 06:41:05,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168700 33740 60.251 -32621 6603.6 -39224 -39224 -0.00022858 -8.5719e-05 -4.7622e-05 2.9381e+05 2024-05-08 06:41:22,511 INFO [main.py:798]
{rank 0/64} MD step = 168800 step time: 00:00:00.157698 Performance: 65.317 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:41:28,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168800 33760 60.167 -32508 6594.3 -39102 -39102 -0.00028573 -0.00045717 -0.00055241 2.9402e+05 2024-05-08 06:41:44,711 INFO [main.py:798]
{rank 0/64} MD step = 168900 step time: 00:00:00.156633 Performance: 65.324 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:41:49,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168900 33780 61.443 -32442 6734.2 -39176 -39176 0.00020954 -0.00057146 -0.00013334 2.942e+05 2024-05-08 06:42:05,409 INFO [main.py:798]
{rank 0/64} MD step = 169000 step time: 00:00:00.152474 Performance: 65.332 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:42:19,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169000 33800 60.142 -32570 6591.6 -39161 -39161 -0.00045717 0 -0.00041907 2.9439e+05 2024-05-08 06:42:39,752 INFO [main.py:798]
{rank 0/64} MD step = 169100 step time: 00:00:00.161346 Performance: 65.320 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:43:01,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169100 33820 59.34 -32679 6503.7 -39183 -39183 0 7.6195e-05 -8.5719e-05 2.9454e+05 2024-05-08 06:43:17,251 INFO [main.py:798]
{rank 0/64} MD step = 169200 step time: 00:00:00.145629 Performance: 65.304 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 06:43:26,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169200 33840 59.322 -32733 6501.8 -39235 -39235 -0.00045717 -0.00067623 -3.8097e-05 2.9473e+05 2024-05-08 06:43:42,096 INFO [main.py:798]
{rank 0/64} MD step = 169300 step time: 00:00:00.144860 Performance: 65.307 ns/day 0.367 hours/ns 3.779 steps/s 2024-05-08 06:43:47,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169300 33860 59.727 -32677 6546.2 -39223 -39223 -0.00033335 -0.00051431 -0.00054289 2.9492e+05 2024-05-08 06:44:03,764 INFO [main.py:798]
{rank 0/64} MD step = 169400 step time: 00:00:00.140437 Performance: 65.314 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:44:08,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169400 33880 59.551 -32575 6526.9 -39102 -39102 -0.00032383 -0.00043812 -0.00053336 2.951e+05 2024-05-08 06:44:25,450 INFO [main.py:798]
{rank 0/64} MD step = 169500 step time: 00:00:00.142590 Performance: 65.321 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:44:33,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169500 33900 59.966 -32550 6572.3 -39122 -39122 -0.00034288 -0.00032383 -0.00056194 2.9528e+05 2024-05-08 06:44:49,357 INFO [main.py:798]
{rank 0/64} MD step = 169600 step time: 00:00:00.154072 Performance: 65.324 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:44:54,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169600 33920 59.677 -32711 6540.7 -39252 -39252 -0.00028573 -0.00030478 -0.00017144 2.9541e+05 2024-05-08 06:45:11,037 INFO [main.py:798]
{rank 0/64} MD step = 169700 step time: 00:00:00.172708 Performance: 65.331 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:45:17,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169700 33940 60.345 -32533 6613.9 -39147 -39147 -0.00045717 -0.00013334 -0.00057146 2.9561e+05 2024-05-08 06:45:33,125 INFO [main.py:798]
{rank 0/64} MD step = 169800 step time: 00:00:00.160779 Performance: 65.338 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:45:38,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169800 33960 59.885 -32521 6563.5 -39084 -39084 6.667e-05 -0.00050479 -9.5243e-05 2.9578e+05 2024-05-08 06:45:54,151 INFO [main.py:798]
{rank 0/64} MD step = 169900 step time: 00:00:00.160258 Performance: 65.345 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:45:59,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169900 33980 59.677 -32692 6540.7 -39233 -39233 -3.8097e-05 -0.00049527 -0.00038097 2.9591e+05 2024-05-08 06:46:14,906 INFO [main.py:798]
{rank 0/64} MD step = 170000 step time: 00:00:00.148561 Performance: 65.354 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:46:20,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170000 34000 59.651 -32684 6537.8 -39222 -39222 0.00019049 -0.0004286 -0.00051431 2.9611e+05 2024-05-08 06:46:38,541 INFO [main.py:798]
{rank 0/64} MD step = 170100 step time: 00:00:00.147797 Performance: 65.358 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:47:00,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170100 34020 60.172 -32503 6594.9 -39098 -39098 -0.0003905 -0.00022858 -0.00015239 2.9632e+05 2024-05-08 06:47:16,500 INFO [main.py:798]
{rank 0/64} MD step = 170200 step time: 00:00:00.147153 Performance: 65.341 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:47:36,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170200 34040 59.313 -32637 6500.8 -39138 -39138 -0.00048574 -0.00041907 -0.00011429 2.9647e+05 2024-05-08 06:47:52,757 INFO [main.py:798]
{rank 0/64} MD step = 170300 step time: 00:00:00.155990 Performance: 65.327 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 06:47:58,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170300 34060 59.872 -32528 6562.1 -39091 -39091 0 -0.0003524 -0.00019049 2.9668e+05 2024-05-08 06:48:14,675 INFO [main.py:798]
{rank 0/64} MD step = 170400 step time: 00:00:00.151067 Performance: 65.333 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:48:22,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170400 34080 59.377 -32689 6507.7 -39197 -39197 -0.00051431 -0.00034288 -0.00064766 2.9684e+05 2024-05-08 06:48:38,709 INFO [main.py:798]
{rank 0/64} MD step = 170500 step time: 00:00:00.146481 Performance: 65.337 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:48:47,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170500 34100 59.889 -32576 6563.9 -39140 -39140 -0.00019049 -0.0004286 -0.00051431 2.9702e+05 2024-05-08 06:49:03,431 INFO [main.py:798]
{rank 0/64} MD step = 170600 step time: 00:00:00.154706 Performance: 65.339 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:49:10,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170600 34120 60.021 -32538 6578.4 -39117 -39117 -0.00030478 -0.0003905 0 2.972e+05 2024-05-08 06:49:27,290 INFO [main.py:798]
{rank 0/64} MD step = 170700 step time: 00:00:00.157948 Performance: 65.343 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:49:33,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170700 34140 60.446 -32576 6625 -39201 -39201 -0.00048574 -0.00043812 -0.00060956 2.9734e+05 2024-05-08 06:49:50,206 INFO [main.py:798]
{rank 0/64} MD step = 170800 step time: 00:00:00.150505 Performance: 65.348 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:49:55,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170800 34160 59.469 -32595 6517.9 -39113 -39113 -0.00011429 -0.00040955 -0.0006667 2.9755e+05 2024-05-08 06:50:11,977 INFO [main.py:798]
{rank 0/64} MD step = 170900 step time: 00:00:00.157349 Performance: 65.355 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:50:17,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170900 34180 60.393 -32479 6619.1 -39098 -39098 -0.00019049 -7.6195e-05 -0.00064766 2.9773e+05 2024-05-08 06:50:34,734 INFO [main.py:798]
{rank 0/64} MD step = 171000 step time: 00:00:00.156582 Performance: 65.360 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:50:41,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171000 34200 59.667 -32758 6539.6 -39298 -39298 0.00020954 -0.00054765 -0.0005286 2.9789e+05 2024-05-08 06:50:58,025 INFO [main.py:798]
{rank 0/64} MD step = 171100 step time: 00:00:00.165996 Performance: 65.365 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:51:16,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171100 34220 59.996 -32621 6575.6 -39196 -39196 -0.00011429 -0.0004286 -0.00059051 2.9809e+05 2024-05-08 06:51:32,335 INFO [main.py:798]
{rank 0/64} MD step = 171200 step time: 00:00:00.161709 Performance: 65.354 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:51:50,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171200 34240 59.864 -32737 6561.2 -39299 -39299 -0.00020954 -0.00040478 -0.00017144 2.9821e+05 2024-05-08 06:52:06,020 INFO [main.py:798]
{rank 0/64} MD step = 171300 step time: 00:00:00.159126 Performance: 65.343 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 06:52:12,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171300 34260 60.956 -32679 6680.8 -39360 -39360 0 -0.0003143 -0.00067623 2.9839e+05 2024-05-08 06:52:27,413 INFO [main.py:798]
{rank 0/64} MD step = 171400 step time: 00:00:00.153021 Performance: 65.350 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:52:33,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171400 34280 60.069 -32615 6583.6 -39199 -39199 -0.00022858 -0.00064766 0.00011429 2.9861e+05 2024-05-08 06:52:49,421 INFO [main.py:798]
{rank 0/64} MD step = 171500 step time: 00:00:00.145355 Performance: 65.357 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:52:53,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171500 34300 60.372 -32575 6616.9 -39192 -39192 -0.00026668 -0.00019049 -0.0003905 2.9874e+05 2024-05-08 06:53:10,342 INFO [main.py:798]
{rank 0/64} MD step = 171600 step time: 00:00:00.152628 Performance: 65.365 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:53:16,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171600 34320 61.323 -32463 6721 -39184 -39184 -0.00030478 -0.00060956 -0.00012858 2.9892e+05 2024-05-08 06:53:32,105 INFO [main.py:798]
{rank 0/64} MD step = 171700 step time: 00:00:00.155019 Performance: 65.371 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:53:51,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171700 34340 59.548 -32765 6526.6 -39292 -39292 -0.00015239 -9.5243e-05 -0.00056194 2.9911e+05 2024-05-08 06:54:07,348 INFO [main.py:798]
{rank 0/64} MD step = 171800 step time: 00:00:00.168196 Performance: 65.359 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 06:54:13,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171800 34360 59.529 -32572 6524.4 -39096 -39096 -0.00053336 -0.00030478 -0.00060003 2.993e+05 2024-05-08 06:54:28,901 INFO [main.py:798]
{rank 0/64} MD step = 171900 step time: 00:00:00.168417 Performance: 65.366 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:54:35,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171900 34380 60.002 -32586 6576.3 -39162 -39162 -0.00028573 -0.00015239 -0.00053336 2.9946e+05 2024-05-08 06:54:51,119 INFO [main.py:798]
{rank 0/64} MD step = 172000 step time: 00:00:00.171787 Performance: 65.372 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:54:56,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172000 34400 58.485 -32711 6410 -39121 -39121 -0.00010477 -0.00049527 -0.00045717 2.9965e+05 2024-05-08 06:55:13,130 INFO [main.py:798]
{rank 0/64} MD step = 172100 step time: 00:00:00.169587 Performance: 65.378 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:55:18,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172100 34420 60.291 -32496 6608 -39104 -39104 7.6195e-05 0.00011429 0.00010477 2.9981e+05 2024-05-08 06:55:34,822 INFO [main.py:798]
{rank 0/64} MD step = 172200 step time: 00:00:00.154138 Performance: 65.385 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 06:55:51,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172200 34440 59.59 -32634 6531.2 -39166 -39166 -0.00043812 -0.00045717 -0.00030478 2.9998e+05 2024-05-08 06:56:06,895 INFO [main.py:798]
{rank 0/64} MD step = 172300 step time: 00:00:00.159213 Performance: 65.377 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:56:20,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172300 34460 60.018 -32672 6578 -39250 -39250 -0.00034288 -0.00075242 0 3.0013e+05 2024-05-08 06:56:34,022 INFO [main.py:798]
{rank 0/64} MD step = 172400 step time: 00:00:00.137187 Performance: 65.376 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:56:44,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172400 34480 60.473 -32576 6627.9 -39204 -39204 -0.00049527 -0.00062861 -0.00028097 3.0029e+05 2024-05-08 06:57:01,503 INFO [main.py:798]
{rank 0/64} MD step = 172500 step time: 00:00:00.158983 Performance: 65.374 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 06:57:08,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172500 34500 60.235 -32685 6601.8 -39287 -39287 -0.00028573 -0.00069052 -0.00062861 3.0044e+05 2024-05-08 06:57:23,781 INFO [main.py:798]
{rank 0/64} MD step = 172600 step time: 00:00:00.164179 Performance: 65.380 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 06:57:29,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172600 34520 59.843 -32617 6558.9 -39176 -39176 -0.00026668 -0.00030002 -6.667e-05 3.0064e+05 2024-05-08 06:57:44,751 INFO [main.py:798]
{rank 0/64} MD step = 172700 step time: 00:00:00.162101 Performance: 65.388 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 06:57:51,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172700 34540 60.152 -32456 6592.8 -39049 -39049 -0.00043812 -0.00057146 -0.00062384 3.0082e+05 2024-05-08 06:58:07,308 INFO [main.py:798]
{rank 0/64} MD step = 172800 step time: 00:00:00.164074 Performance: 65.394 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 06:58:15,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172800 34560 60.158 -32574 6593.4 -39168 -39168 -0.0004286 -0.00047622 -0.00036193 3.0096e+05 2024-05-08 06:58:30,879 INFO [main.py:798]
{rank 0/64} MD step = 172900 step time: 00:00:00.150466 Performance: 65.398 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 06:58:47,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172900 34580 60.519 -32478 6632.9 -39111 -39111 -0.00034288 -0.00057146 4.7622e-05 3.0114e+05 2024-05-08 06:59:03,306 INFO [main.py:798]
{rank 0/64} MD step = 173000 step time: 00:00:00.158736 Performance: 65.389 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 06:59:08,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173000 34600 59.688 -32595 6541.9 -39136 -39136 -0.00041907 -0.00024763 0.00010477 3.0133e+05 2024-05-08 06:59:26,326 INFO [main.py:798]
{rank 0/64} MD step = 173100 step time: 00:00:00.149128 Performance: 65.394 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 06:59:33,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173100 34620 60.15 -32622 6592.6 -39215 -39215 0.00012382 -0.00013334 -0.00043812 3.015e+05 2024-05-08 06:59:47,953 INFO [main.py:798]
{rank 0/64} MD step = 173200 step time: 00:00:00.133739 Performance: 65.401 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:00:39,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173200 34640 59.162 -32657 6484.2 -39141 -39141 -0.0003143 -0.00038097 -0.00041907 3.0168e+05 2024-05-08 07:00:54,458 INFO [main.py:798]
{rank 0/64} MD step = 173300 step time: 00:00:00.147003 Performance: 65.344 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:01:13,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173300 34660 60.081 -32593 6585 -39178 -39178 0.00022858 -0.00060956 -0.00045717 3.0185e+05 2024-05-08 07:01:28,793 INFO [main.py:798]
{rank 0/64} MD step = 173400 step time: 00:00:00.158225 Performance: 65.333 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:01:34,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173400 34680 60.751 -32445 6658.4 -39103 -39103 -0.00022858 -0.00032383 -0.00043812 3.0205e+05 2024-05-08 07:01:50,123 INFO [main.py:798]
{rank 0/64} MD step = 173500 step time: 00:00:00.161286 Performance: 65.340 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:02:00,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173500 34700 60.429 -32563 6623.1 -39186 -39186 -0.00036193 9.5243e-06 -0.00034288 3.0223e+05 2024-05-08 07:02:16,207 INFO [main.py:798]
{rank 0/64} MD step = 173600 step time: 00:00:00.171656 Performance: 65.340 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:02:23,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173600 34720 60.108 -32481 6588 -39068 -39068 -0.0003524 -0.00053336 -0.00045717 3.0241e+05 2024-05-08 07:02:38,959 INFO [main.py:798]
{rank 0/64} MD step = 173700 step time: 00:00:00.170512 Performance: 65.346 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:02:48,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173700 34740 60.009 -32604 6577.1 -39181 -39181 -0.00045717 -0.00049527 -0.00072385 3.0257e+05 2024-05-08 07:03:03,868 INFO [main.py:798]
{rank 0/64} MD step = 173800 step time: 00:00:00.170017 Performance: 65.348 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:03:09,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173800 34760 60.564 -32485 6637.8 -39123 -39123 -0.00036193 -0.00064766 -0.00027621 3.0274e+05 2024-05-08 07:03:25,192 INFO [main.py:798]
{rank 0/64} MD step = 173900 step time: 00:00:00.157863 Performance: 65.355 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:03:36,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173900 34780 60.467 -32664 6627.2 -39291 -39291 7.6195e-05 -0.00072385 -0.00030478 3.0291e+05 2024-05-08 07:03:51,681 INFO [main.py:798]
{rank 0/64} MD step = 174000 step time: 00:00:00.164187 Performance: 65.355 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:04:02,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174000 34800 59.818 -32623 6556.1 -39179 -39179 -0.00040478 -0.00055241 -0.00059051 3.0312e+05 2024-05-08 07:04:18,595 INFO [main.py:798]
{rank 0/64} MD step = 174100 step time: 00:00:00.156222 Performance: 65.354 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:04:26,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174100 34820 60.359 -32444 6615.4 -39059 -39059 -0.00055241 -0.00038097 -0.00055241 3.0331e+05 2024-05-08 07:04:42,214 INFO [main.py:798]
{rank 0/64} MD step = 174200 step time: 00:00:00.138688 Performance: 65.358 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:05:00,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174200 34840 60.568 -32651 6638.4 -39289 -39289 -0.00032859 -0.00034288 -0.00062861 3.0345e+05 2024-05-08 07:05:16,388 INFO [main.py:798]
{rank 0/64} MD step = 174300 step time: 00:00:00.151968 Performance: 65.347 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:05:38,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174300 34860 59.662 -32568 6539 -39107 -39107 -0.00019049 -0.00050479 -0.00064766 3.0364e+05 2024-05-08 07:05:56,810 INFO [main.py:798]
{rank 0/64} MD step = 174400 step time: 00:00:00.160988 Performance: 65.328 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:06:01,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174400 34880 60.471 -32550 6627.7 -39177 -39177 1.9049e-05 -0.0007429 -0.00085719 3.0382e+05 2024-05-08 07:06:19,485 INFO [main.py:798]
{rank 0/64} MD step = 174500 step time: 00:00:00.156573 Performance: 65.333 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:06:26,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174500 34900 61.323 -32445 6721.1 -39166 -39166 -0.00030478 -0.00050479 -0.00059051 3.0399e+05 2024-05-08 07:06:42,242 INFO [main.py:798]
{rank 0/64} MD step = 174600 step time: 00:00:00.164920 Performance: 65.338 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:06:48,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174600 34920 59.971 -32648 6572.9 -39221 -39221 -0.00041907 -0.00019049 -0.00058099 3.0412e+05 2024-05-08 07:07:04,767 INFO [main.py:798]
{rank 0/64} MD step = 174700 step time: 00:00:00.161505 Performance: 65.344 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:07:11,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174700 34940 59.586 -32591 6530.7 -39122 -39122 -0.00030478 -0.00038097 -0.00041907 3.0428e+05 2024-05-08 07:07:27,851 INFO [main.py:798]
{rank 0/64} MD step = 174800 step time: 00:00:00.159278 Performance: 65.348 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:07:34,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174800 34960 59.458 -32653 6516.7 -39170 -39170 -5.7146e-05 -0.00059051 -1.9049e-05 3.0446e+05 2024-05-08 07:07:50,382 INFO [main.py:798]
{rank 0/64} MD step = 174900 step time: 00:00:00.163468 Performance: 65.354 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:07:56,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174900 34980 61.29 -32401 6717.5 -39119 -39119 -0.00033335 -0.00036193 -0.0006667 3.0463e+05 2024-05-08 07:08:12,576 INFO [main.py:798]
{rank 0/64} MD step = 175000 step time: 00:00:00.157261 Performance: 65.360 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:08:18,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175000 35000 59.44 -32595 6514.7 -39109 -39109 -0.00059051 -0.00036193 -0.00041907 3.0481e+05 2024-05-08 07:08:34,097 INFO [main.py:798]
{rank 0/64} MD step = 175100 step time: 00:00:00.157096 Performance: 65.367 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:08:40,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175100 35020 60.157 -32565 6593.3 -39158 -39158 -0.00019049 -0.00037145 -0.00060956 3.0496e+05 2024-05-08 07:08:56,252 INFO [main.py:798]
{rank 0/64} MD step = 175200 step time: 00:00:00.147539 Performance: 65.373 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:09:03,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175200 35040 59.573 -32514 6529.3 -39044 -39044 -0.00032383 -0.00064766 3.8097e-05 3.0516e+05 2024-05-08 07:09:18,708 INFO [main.py:798]
{rank 0/64} MD step = 175300 step time: 00:00:00.153922 Performance: 65.379 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:09:26,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175300 35060 60.255 -32674 6604.1 -39278 -39278 -0.00034288 -0.00068575 -0.00041907 3.053e+05 2024-05-08 07:09:41,635 INFO [main.py:798]
{rank 0/64} MD step = 175400 step time: 00:00:00.156673 Performance: 65.383 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:09:49,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175400 35080 60.143 -32583 6591.7 -39175 -39175 -0.00034288 -0.00041907 -0.00075242 3.0551e+05 2024-05-08 07:10:05,122 INFO [main.py:798]
{rank 0/64} MD step = 175500 step time: 00:00:00.158633 Performance: 65.388 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:10:14,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175500 35100 60.623 -32442 6644.4 -39087 -39087 -0.00035954 -0.00055241 -0.00072385 3.057e+05 2024-05-08 07:10:30,668 INFO [main.py:798]
{rank 0/64} MD step = 175600 step time: 00:00:00.162184 Performance: 65.389 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:10:36,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175600 35120 60.346 -32568 6614 -39182 -39182 -0.00034288 -0.0006048 -0.00046669 3.0587e+05 2024-05-08 07:10:52,710 INFO [main.py:798]
{rank 0/64} MD step = 175700 step time: 00:00:00.161604 Performance: 65.395 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:10:59,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175700 35140 60.203 -32574 6598.3 -39172 -39172 -0.00033811 -0.00043812 -0.00054289 3.0605e+05 2024-05-08 07:11:15,936 INFO [main.py:798]
{rank 0/64} MD step = 175800 step time: 00:00:00.162214 Performance: 65.400 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:11:30,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175800 35160 60.57 -32500 6638.6 -39139 -39139 -0.00029525 -0.0007048 -0.00087624 3.0622e+05 2024-05-08 07:11:45,508 INFO [main.py:798]
{rank 0/64} MD step = 175900 step time: 00:00:00.183260 Performance: 65.395 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:12:06,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175900 35180 60.668 -32587 6649.3 -39237 -39237 -0.00038097 -0.00049527 -0.00058099 3.064e+05 2024-05-08 07:12:21,683 INFO [main.py:798]
{rank 0/64} MD step = 176000 step time: 00:00:00.155971 Performance: 65.381 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:12:32,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176000 35200 61.015 -32317 6687.3 -39005 -39005 -0.00013334 -0.00041907 -0.00043812 3.0662e+05 2024-05-08 07:12:50,906 INFO [main.py:798]
{rank 0/64} MD step = 176100 step time: 00:00:00.160109 Performance: 65.377 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:12:59,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176100 35220 60.209 -32410 6598.9 -39009 -39009 -0.00040955 -0.00030478 -7.1433e-05 3.0681e+05 2024-05-08 07:13:15,181 INFO [main.py:798]
{rank 0/64} MD step = 176200 step time: 00:00:00.164640 Performance: 65.381 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:13:20,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176200 35240 60.258 -32440 6604.3 -39044 -39044 -0.00032383 -0.00068575 -0.00062861 3.0701e+05 2024-05-08 07:13:39,124 INFO [main.py:798]
{rank 0/64} MD step = 176300 step time: 00:00:00.163937 Performance: 65.384 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:13:47,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176300 35260 60.513 -32557 6632.3 -39190 -39190 -9.5243e-05 -0.00049527 -0.00017144 3.0718e+05 2024-05-08 07:14:02,211 INFO [main.py:798]
{rank 0/64} MD step = 176400 step time: 00:00:00.157091 Performance: 65.389 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:14:06,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176400 35280 59.009 -32701 6467.4 -39169 -39169 -0.00038097 -0.00026668 -0.00072385 3.0737e+05 2024-05-08 07:14:24,390 INFO [main.py:798]
{rank 0/64} MD step = 176500 step time: 00:00:00.160369 Performance: 65.395 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:14:29,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176500 35300 60.716 -32552 6654.6 -39207 -39207 0.00011429 -0.00036193 -0.00050955 3.0754e+05 2024-05-08 07:14:44,576 INFO [main.py:798]
{rank 0/64} MD step = 176600 step time: 00:00:00.159633 Performance: 65.403 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:14:52,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176600 35320 60.62 -32558 6644 -39202 -39202 -0.00024763 -3.8097e-05 -0.00064766 3.0771e+05 2024-05-08 07:15:08,030 INFO [main.py:798]
{rank 0/64} MD step = 176700 step time: 00:00:00.157183 Performance: 65.408 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:15:11,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176700 35340 60.082 -32693 6585.1 -39278 -39278 -0.00020001 -0.00072385 -0.00011429 3.0786e+05 2024-05-08 07:15:28,774 INFO [main.py:798]
{rank 0/64} MD step = 176800 step time: 00:00:00.137358 Performance: 65.415 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:15:40,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176800 35360 59.541 -32703 6525.8 -39229 -39229 -0.00022858 -0.0007048 7.6195e-05 3.0804e+05 2024-05-08 07:15:56,359 INFO [main.py:798]
{rank 0/64} MD step = 176900 step time: 00:00:00.144336 Performance: 65.414 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:16:16,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176900 35380 59.461 -32595 6517 -39112 -39112 -0.00019525 -0.00053336 0 3.082e+05 2024-05-08 07:16:31,139 INFO [main.py:798]
{rank 0/64} MD step = 177000 step time: 00:00:00.153521 Performance: 65.402 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:16:49,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177000 35400 59.937 -32536 6569.2 -39105 -39105 -0.00017144 -0.00037145 -0.00055241 3.0839e+05 2024-05-08 07:17:06,069 INFO [main.py:798]
{rank 0/64} MD step = 177100 step time: 00:00:00.159967 Performance: 65.390 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:17:21,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177100 35420 59.207 -32714 6489.2 -39203 -39203 -0.00020001 -0.00055241 -0.00051431 3.0859e+05 2024-05-08 07:17:37,146 INFO [main.py:798]
{rank 0/64} MD step = 177200 step time: 00:00:00.142479 Performance: 65.384 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:17:46,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177200 35440 60.082 -32480 6585.1 -39065 -39065 -0.00019049 -0.00030478 -0.00059051 3.0877e+05 2024-05-08 07:18:02,974 INFO [main.py:798]
{rank 0/64} MD step = 177300 step time: 00:00:00.145069 Performance: 65.385 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:18:12,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177300 35460 59.391 -32557 6509.3 -39067 -39067 -0.00020954 -0.00064766 3.8097e-05 3.0894e+05 2024-05-08 07:18:28,761 INFO [main.py:798]
{rank 0/64} MD step = 177400 step time: 00:00:00.138399 Performance: 65.385 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:18:41,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177400 35480 60.291 -32475 6608 -39083 -39083 -0.00011429 -0.00037145 0 3.0914e+05 2024-05-08 07:18:58,233 INFO [main.py:798]
{rank 0/64} MD step = 177500 step time: 00:00:00.153096 Performance: 65.381 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:19:20,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177500 35500 60.241 -32499 6602.4 -39102 -39102 -0.00040002 -0.00026668 -0.00059051 3.0935e+05 2024-05-08 07:19:36,032 INFO [main.py:798]
{rank 0/64} MD step = 177600 step time: 00:00:00.141339 Performance: 65.365 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:19:43,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177600 35520 60.114 -32515 6588.6 -39104 -39104 -0.00015239 -0.0003524 -0.00026668 3.0954e+05 2024-05-08 07:19:58,437 INFO [main.py:798]
{rank 0/64} MD step = 177700 step time: 00:00:00.144600 Performance: 65.371 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:20:11,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177700 35540 59.897 -32628 6564.8 -39193 -39193 -0.0003524 -0.00054289 -0.00030478 3.0966e+05 2024-05-08 07:20:27,626 INFO [main.py:798]
{rank 0/64} MD step = 177800 step time: 00:00:00.143709 Performance: 65.367 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:20:56,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177800 35560 60.648 -32603 6647 -39250 -39250 -0.00016191 -0.00068575 5.7146e-05 3.0985e+05 2024-05-08 07:21:12,608 INFO [main.py:798]
{rank 0/64} MD step = 177900 step time: 00:00:00.136706 Performance: 65.341 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:21:39,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177900 35580 60.292 -32487 6608.1 -39095 -39095 -0.00038097 -0.0004286 -0.00055241 3.1005e+05 2024-05-08 07:21:55,806 INFO [main.py:798]
{rank 0/64} MD step = 178000 step time: 00:00:00.161831 Performance: 65.318 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:22:02,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178000 35600 59.068 -32671 6474 -39145 -39145 -0.00028573 -0.00045717 -0.00060956 3.1023e+05 2024-05-08 07:22:18,447 INFO [main.py:798]
{rank 0/64} MD step = 178100 step time: 00:00:00.159796 Performance: 65.323 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:22:27,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178100 35620 60.122 -32545 6589.4 -39134 -39134 -0.00032383 -0.00064289 -0.00022858 3.1041e+05 2024-05-08 07:22:44,188 INFO [main.py:798]
{rank 0/64} MD step = 178200 step time: 00:00:00.152013 Performance: 65.324 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:22:51,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178200 35640 59.972 -32521 6573 -39094 -39094 0.00011429 -0.0003905 -0.00064766 3.106e+05 2024-05-08 07:23:10,081 INFO [main.py:798]
{rank 0/64} MD step = 178300 step time: 00:00:00.147907 Performance: 65.325 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:23:17,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178300 35660 59.808 -32535 6555 -39090 -39090 -0.00049527 -0.00068575 -0.0005786 3.1078e+05 2024-05-08 07:23:32,714 INFO [main.py:798]
{rank 0/64} MD step = 178400 step time: 00:00:00.154384 Performance: 65.331 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:23:39,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178400 35680 58.974 -32793 6463.6 -39257 -39257 0 3.8097e-05 -0.0004286 3.1094e+05 2024-05-08 07:23:54,859 INFO [main.py:798]
{rank 0/64} MD step = 178500 step time: 00:00:00.143458 Performance: 65.336 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:24:00,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178500 35700 60.023 -32528 6578.6 -39107 -39107 -0.00032383 -0.00028573 -0.00068575 3.1113e+05 2024-05-08 07:24:17,013 INFO [main.py:798]
{rank 0/64} MD step = 178600 step time: 00:00:00.147315 Performance: 65.342 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:24:22,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178600 35720 59.769 -32445 6550.8 -38996 -38996 -0.00024763 -0.00013334 -0.00050003 3.1131e+05 2024-05-08 07:24:40,769 INFO [main.py:798]
{rank 0/64} MD step = 178700 step time: 00:00:00.159218 Performance: 65.346 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:24:46,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178700 35740 59.993 -32695 6575.3 -39270 -39270 -0.00030478 -0.00055241 -0.00057146 3.1149e+05 2024-05-08 07:25:02,477 INFO [main.py:798]
{rank 0/64} MD step = 178800 step time: 00:00:00.159067 Performance: 65.353 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:25:20,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178800 35760 59.921 -32696 6567.4 -39263 -39263 -0.00028573 -0.00060956 -0.00051431 3.1166e+05 2024-05-08 07:25:35,926 INFO [main.py:798]
{rank 0/64} MD step = 178900 step time: 00:00:00.151738 Performance: 65.343 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:26:06,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178900 35780 59.674 -32567 6540.3 -39107 -39107 -0.00028573 -0.00036193 -0.00041431 3.1187e+05 2024-05-08 07:26:22,867 INFO [main.py:798]
{rank 0/64} MD step = 179000 step time: 00:00:00.165452 Performance: 65.315 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:26:28,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179000 35800 60.759 -32315 6659.3 -38974 -38974 -0.00020954 -0.00053336 9.5243e-06 3.1207e+05 2024-05-08 07:26:45,429 INFO [main.py:798]
{rank 0/64} MD step = 179100 step time: 00:00:00.154767 Performance: 65.320 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:26:52,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179100 35820 59.037 -32674 6470.6 -39144 -39144 -0.00028573 -0.00041907 -9.5243e-05 3.122e+05 2024-05-08 07:27:08,184 INFO [main.py:798]
{rank 0/64} MD step = 179200 step time: 00:00:00.158057 Performance: 65.325 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:27:16,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179200 35840 59.319 -32577 6501.5 -39078 -39078 -0.00047622 -0.00053336 -9.5243e-05 3.1239e+05 2024-05-08 07:27:31,703 INFO [main.py:798]
{rank 0/64} MD step = 179300 step time: 00:00:00.158579 Performance: 65.329 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:27:38,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179300 35860 60.604 -32360 6642.3 -39003 -39003 -0.00027621 -0.00048098 -0.00061908 3.126e+05 2024-05-08 07:27:54,023 INFO [main.py:798]
{rank 0/64} MD step = 179400 step time: 00:00:00.163767 Performance: 65.335 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:27:58,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179400 35880 60.574 -32564 6639 -39203 -39203 -0.00040955 -0.00038097 -0.00036193 3.1276e+05 2024-05-08 07:28:16,080 INFO [main.py:798]
{rank 0/64} MD step = 179500 step time: 00:00:00.160852 Performance: 65.341 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:28:23,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179500 35900 59.968 -32487 6572.6 -39059 -39059 0.00028573 -0.00051431 -0.00028573 3.1295e+05 2024-05-08 07:28:38,897 INFO [main.py:798]
{rank 0/64} MD step = 179600 step time: 00:00:00.154770 Performance: 65.346 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:28:47,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179600 35920 60.141 -32463 6591.5 -39054 -39054 -0.00030478 -0.00041907 -0.00060003 3.1316e+05 2024-05-08 07:29:03,097 INFO [main.py:798]
{rank 0/64} MD step = 179700 step time: 00:00:00.159213 Performance: 65.349 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:29:08,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179700 35940 60.122 -32596 6589.5 -39185 -39185 -0.00022858 -0.00053336 -0.00038097 3.1329e+05 2024-05-08 07:29:24,443 INFO [main.py:798]
{rank 0/64} MD step = 179800 step time: 00:00:00.157939 Performance: 65.356 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:29:30,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179800 35960 60.155 -32551 6593.1 -39144 -39144 -0.00055717 -0.00049527 -9.0481e-05 3.1348e+05 2024-05-08 07:29:46,704 INFO [main.py:798]
{rank 0/64} MD step = 179900 step time: 00:00:00.159151 Performance: 65.362 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:29:55,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179900 35980 60.453 -32573 6625.7 -39199 -39199 -0.0003143 -0.00068575 -0.00044288 3.1366e+05 2024-05-08 07:30:11,573 INFO [main.py:798]
{rank 0/64} MD step = 180000 step time: 00:00:00.161090 Performance: 65.364 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:30:18,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180000 36000 59.096 -32675 6477 -39152 -39152 -0.00049527 -0.00040002 -0.00060956 3.1382e+05 2024-05-08 07:30:34,991 INFO [main.py:798]
{rank 0/64} MD step = 180100 step time: 00:00:00.170658 Performance: 65.368 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:30:41,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180100 36020 60.175 -32447 6595.3 -39042 -39042 -0.00046669 -0.0006667 -9.5243e-05 3.1398e+05 2024-05-08 07:30:57,309 INFO [main.py:798]
{rank 0/64} MD step = 180200 step time: 00:00:00.154181 Performance: 65.374 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:31:02,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180200 36040 59.976 -32697 6573.5 -39271 -39271 -0.0001762 -0.00049527 -9.5243e-06 3.141e+05 2024-05-08 07:31:19,888 INFO [main.py:798]
{rank 0/64} MD step = 180300 step time: 00:00:00.154312 Performance: 65.379 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:31:35,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180300 36060 60.44 -32477 6624.3 -39101 -39101 -0.00030478 -0.00026668 7.6195e-05 3.1432e+05 2024-05-08 07:31:50,204 INFO [main.py:798]
{rank 0/64} MD step = 180400 step time: 00:00:00.156747 Performance: 65.374 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:32:03,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180400 36080 60.333 -32400 6612.6 -39013 -39013 -0.00043812 -0.00048574 -0.00032383 3.1453e+05 2024-05-08 07:32:23,475 INFO [main.py:798]
{rank 0/64} MD step = 180500 step time: 00:00:00.161126 Performance: 65.364 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:32:41,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180500 36100 59.548 -32577 6526.5 -39103 -39103 -0.00017144 -0.00049527 -0.00072385 3.147e+05 2024-05-08 07:32:57,468 INFO [main.py:798]
{rank 0/64} MD step = 180600 step time: 00:00:00.146724 Performance: 65.354 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:33:13,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180600 36120 59.948 -32657 6570.3 -39227 -39227 0 -0.00058337 9.5243e-05 3.1484e+05 2024-05-08 07:33:27,823 INFO [main.py:798]
{rank 0/64} MD step = 180700 step time: 00:00:00.134650 Performance: 65.349 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:33:36,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180700 36140 60.443 -32522 6624.6 -39147 -39147 -0.00019049 -0.00034288 -0.00068575 3.1502e+05 2024-05-08 07:33:52,437 INFO [main.py:798]
{rank 0/64} MD step = 180800 step time: 00:00:00.153219 Performance: 65.351 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:34:04,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180800 36160 60.072 -32538 6584 -39122 -39122 0 -0.00011905 -7.6195e-05 3.1519e+05 2024-05-08 07:34:20,610 INFO [main.py:798]
{rank 0/64} MD step = 180900 step time: 00:00:00.163805 Performance: 65.349 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:34:28,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180900 36180 60.398 -32566 6619.7 -39185 -39185 -0.00055241 -0.0006667 -0.00062861 3.1535e+05 2024-05-08 07:34:44,841 INFO [main.py:798]
{rank 0/64} MD step = 181000 step time: 00:00:00.160230 Performance: 65.352 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:34:56,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181000 36200 59.669 -32705 6539.7 -39245 -39245 -0.00019049 9.5243e-06 -0.00010477 3.1554e+05 2024-05-08 07:35:18,724 INFO [main.py:798]
{rank 0/64} MD step = 181100 step time: 00:00:00.150570 Performance: 65.342 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:35:26,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181100 36220 60.205 -32560 6598.5 -39159 -39159 -0.00028573 -0.00030478 -7.6195e-05 3.1572e+05 2024-05-08 07:35:43,112 INFO [main.py:798]
{rank 0/64} MD step = 181200 step time: 00:00:00.169345 Performance: 65.344 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:35:52,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181200 36240 59.051 -32583 6472.1 -39055 -39055 -0.00044764 -0.00047622 -0.00022858 3.1591e+05 2024-05-08 07:36:08,572 INFO [main.py:798]
{rank 0/64} MD step = 181300 step time: 00:00:00.162826 Performance: 65.346 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:36:57,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181300 36260 59.953 -32526 6570.9 -39097 -39097 -0.00017144 -0.00049527 -0.00036193 3.1612e+05 2024-05-08 07:37:12,580 INFO [main.py:798]
{rank 0/64} MD step = 181400 step time: 00:00:00.139727 Performance: 65.295 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 07:37:29,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181400 36280 60.527 -32543 6633.9 -39176 -39176 -0.00022858 -0.00015239 -0.00019049 3.1625e+05 2024-05-08 07:37:44,976 INFO [main.py:798]
{rank 0/64} MD step = 181500 step time: 00:00:00.159466 Performance: 65.287 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 07:37:51,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181500 36300 60.441 -32527 6624.4 -39152 -39152 -0.00036193 -0.00049527 -0.00026668 3.1645e+05 2024-05-08 07:38:09,063 INFO [main.py:798]
{rank 0/64} MD step = 181600 step time: 00:00:00.154119 Performance: 65.290 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 07:38:14,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181600 36320 61.915 -32319 6785.9 -39105 -39105 -0.00040002 -0.00057146 -0.00049527 3.166e+05 2024-05-08 07:38:30,499 INFO [main.py:798]
{rank 0/64} MD step = 181700 step time: 00:00:00.160154 Performance: 65.297 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 07:38:37,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181700 36340 60.369 -32611 6616.5 -39227 -39227 -0.00011429 -0.00049527 3.8097e-05 3.1675e+05 2024-05-08 07:38:52,505 INFO [main.py:798]
{rank 0/64} MD step = 181800 step time: 00:00:00.153122 Performance: 65.303 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 07:39:01,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181800 36360 59.876 -32698 6562.5 -39260 -39260 -0.00034288 -0.00045717 0.00019049 3.169e+05 2024-05-08 07:39:17,104 INFO [main.py:798]
{rank 0/64} MD step = 181900 step time: 00:00:00.157381 Performance: 65.305 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 07:39:22,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181900 36380 60.175 -32566 6595.3 -39161 -39161 -0.00049527 -0.00022858 -0.0004286 3.1712e+05 2024-05-08 07:39:38,778 INFO [main.py:798]
{rank 0/64} MD step = 182000 step time: 00:00:00.157257 Performance: 65.312 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:39:44,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182000 36400 59.518 -32802 6523.2 -39325 -39325 -0.00022858 -0.00027144 -0.00026668 3.1725e+05 2024-05-08 07:40:00,690 INFO [main.py:798]
{rank 0/64} MD step = 182100 step time: 00:00:00.146511 Performance: 65.318 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:40:08,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182100 36420 60.411 -32518 6621.1 -39139 -39139 4.286e-05 -0.00041907 -0.00064766 3.1744e+05 2024-05-08 07:40:24,485 INFO [main.py:798]
{rank 0/64} MD step = 182200 step time: 00:00:00.160339 Performance: 65.321 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:40:30,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182200 36440 59.465 -32711 6517.5 -39229 -39229 0.00040002 -0.00045717 -0.00049527 3.1761e+05 2024-05-08 07:40:45,571 INFO [main.py:798]
{rank 0/64} MD step = 182300 step time: 00:00:00.185797 Performance: 65.329 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:41:01,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182300 36460 60.269 -32480 6605.5 -39086 -39086 0.00022858 -0.00037145 -0.00050479 3.1781e+05 2024-05-08 07:41:16,996 INFO [main.py:798]
{rank 0/64} MD step = 182400 step time: 00:00:00.153947 Performance: 65.322 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:41:32,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182400 36480 59.789 -32586 6553 -39139 -39139 -0.00049527 -0.00060956 -0.00034288 3.1797e+05 2024-05-08 07:41:48,189 INFO [main.py:798]
{rank 0/64} MD step = 182500 step time: 00:00:00.150866 Performance: 65.316 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:41:58,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182500 36500 60.673 -32472 6649.9 -39122 -39122 -0.00013334 -0.00032383 -0.00030478 3.1814e+05 2024-05-08 07:42:14,101 INFO [main.py:798]
{rank 0/64} MD step = 182600 step time: 00:00:00.159479 Performance: 65.316 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:42:21,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182600 36520 60.189 -32551 6596.7 -39148 -39148 0.00056194 -0.0003524 0 3.1833e+05 2024-05-08 07:42:37,091 INFO [main.py:798]
{rank 0/64} MD step = 182700 step time: 00:00:00.159584 Performance: 65.321 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:42:44,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182700 36540 59.643 -32532 6537 -39069 -39069 -0.00024763 -0.00047622 -7.6195e-05 3.1852e+05 2024-05-08 07:42:59,490 INFO [main.py:798]
{rank 0/64} MD step = 182800 step time: 00:00:00.153721 Performance: 65.327 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:43:12,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182800 36560 60.026 -32689 6579 -39268 -39268 -0.00021906 -1.9049e-05 -0.00053336 3.1868e+05 2024-05-08 07:43:28,596 INFO [main.py:798]
{rank 0/64} MD step = 182900 step time: 00:00:00.161972 Performance: 65.323 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 07:43:35,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182900 36580 59.781 -32589 6552.1 -39141 -39141 -0.00036193 -0.0007429 -0.00056194 3.1887e+05 2024-05-08 07:43:51,709 INFO [main.py:798]
{rank 0/64} MD step = 183000 step time: 00:00:00.169553 Performance: 65.327 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:43:57,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183000 36600 60.261 -32538 6604.7 -39143 -39143 -0.00026668 -0.00049527 -0.00041907 3.1905e+05 2024-05-08 07:44:13,531 INFO [main.py:798]
{rank 0/64} MD step = 183100 step time: 00:00:00.160874 Performance: 65.334 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:44:18,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183100 36620 60.441 -32539 6624.4 -39163 -39163 0.00024763 -0.00062861 -0.0006667 3.1922e+05 2024-05-08 07:44:34,799 INFO [main.py:798]
{rank 0/64} MD step = 183200 step time: 00:00:00.158520 Performance: 65.341 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:44:39,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183200 36640 59.651 -32570 6537.8 -39108 -39108 -0.00038097 -0.00055241 -3.8097e-05 3.194e+05 2024-05-08 07:44:55,797 INFO [main.py:798]
{rank 0/64} MD step = 183300 step time: 00:00:00.157990 Performance: 65.348 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:45:01,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183300 36660 60.838 -32520 6668 -39188 -39188 -0.00028573 -0.00022858 -0.00069528 3.1955e+05 2024-05-08 07:45:16,728 INFO [main.py:798]
{rank 0/64} MD step = 183400 step time: 00:00:00.150009 Performance: 65.355 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:45:26,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183400 36680 60.861 -32446 6670.4 -39116 -39116 -0.00023811 -0.00038097 -0.00069528 3.1971e+05 2024-05-08 07:45:44,660 INFO [main.py:798]
{rank 0/64} MD step = 183500 step time: 00:00:00.160470 Performance: 65.353 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:46:00,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183500 36700 59.85 -32635 6559.7 -39195 -39195 -0.00017144 -0.00051431 -4.286e-05 3.1986e+05 2024-05-08 07:46:16,474 INFO [main.py:798]
{rank 0/64} MD step = 183600 step time: 00:00:00.158763 Performance: 65.346 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:46:28,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183600 36720 59.984 -32495 6574.3 -39069 -39069 -0.00041907 -0.0003524 -0.00057146 3.2006e+05 2024-05-08 07:46:44,821 INFO [main.py:798]
{rank 0/64} MD step = 183700 step time: 00:00:00.155036 Performance: 65.344 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 07:46:49,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183700 36740 58.743 -32796 6438.3 -39234 -39234 -0.00045717 -0.00051431 -1.9049e-05 3.2022e+05 2024-05-08 07:47:05,683 INFO [main.py:798]
{rank 0/64} MD step = 183800 step time: 00:00:00.155616 Performance: 65.351 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:47:11,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183800 36760 60.583 -32383 6640 -39023 -39023 -0.00017144 -0.00045241 -0.00015239 3.204e+05 2024-05-08 07:47:27,620 INFO [main.py:798]
{rank 0/64} MD step = 183900 step time: 00:00:00.146988 Performance: 65.357 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 07:47:33,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183900 36780 59.962 -32483 6571.9 -39055 -39055 -0.00015239 -0.00034288 -0.00046669 3.2059e+05 2024-05-08 07:47:50,078 INFO [main.py:798]
{rank 0/64} MD step = 184000 step time: 00:00:00.149351 Performance: 65.363 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:47:54,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184000 36800 59.984 -32512 6574.3 -39086 -39086 -0.00047622 -0.00047622 -0.00053336 3.2078e+05 2024-05-08 07:48:12,318 INFO [main.py:798]
{rank 0/64} MD step = 184100 step time: 00:00:00.149374 Performance: 65.368 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:48:18,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184100 36820 60.188 -32409 6596.7 -39006 -39006 -0.00045717 -0.00041907 -0.00034288 3.2096e+05 2024-05-08 07:48:34,215 INFO [main.py:798]
{rank 0/64} MD step = 184200 step time: 00:00:00.161105 Performance: 65.374 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 07:48:39,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184200 36840 59.864 -32678 6561.2 -39239 -39239 -0.00034288 -0.00038097 -0.00057146 3.2111e+05 2024-05-08 07:48:55,450 INFO [main.py:798]
{rank 0/64} MD step = 184300 step time: 00:00:00.167404 Performance: 65.381 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:49:04,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184300 36860 59.677 -32616 6540.7 -39157 -39157 -0.00040002 -0.00060956 -0.00049527 3.2131e+05 2024-05-08 07:49:20,457 INFO [main.py:798]
{rank 0/64} MD step = 184400 step time: 00:00:00.165020 Performance: 65.383 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:49:29,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184400 36880 60.507 -32600 6631.6 -39231 -39231 -0.00051431 -0.0006048 -0.00063813 3.2146e+05 2024-05-08 07:49:44,540 INFO [main.py:798]
{rank 0/64} MD step = 184500 step time: 00:00:00.158019 Performance: 65.386 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:49:50,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184500 36900 60.917 -32587 6676.6 -39264 -39264 -0.00023811 3.8097e-05 -0.00064766 3.2162e+05 2024-05-08 07:50:05,929 INFO [main.py:798]
{rank 0/64} MD step = 184600 step time: 00:00:00.150179 Performance: 65.393 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:50:20,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184600 36920 60.027 -32468 6579.1 -39048 -39048 -0.00029525 -0.00037145 -0.00045717 3.218e+05 2024-05-08 07:50:36,913 INFO [main.py:798]
{rank 0/64} MD step = 184700 step time: 00:00:00.166555 Performance: 65.387 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:50:50,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184700 36940 60.785 -32537 6662.1 -39199 -39199 0.00022858 -0.00045717 -0.00015239 3.2197e+05 2024-05-08 07:51:06,177 INFO [main.py:798]
{rank 0/64} MD step = 184800 step time: 00:00:00.166435 Performance: 65.383 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:51:11,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184800 36960 59.915 -32668 6566.7 -39235 -39235 0.00020954 -0.00038097 0.00012382 3.2214e+05 2024-05-08 07:51:26,791 INFO [main.py:798]
{rank 0/64} MD step = 184900 step time: 00:00:00.163541 Performance: 65.391 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 07:51:33,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184900 36980 59.852 -32535 6559.8 -39095 -39095 -0.00020001 -0.0003905 -0.00058099 3.2234e+05 2024-05-08 07:51:48,766 INFO [main.py:798]
{rank 0/64} MD step = 185000 step time: 00:00:00.155803 Performance: 65.397 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:51:58,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185000 37000 59.777 -32664 6551.6 -39215 -39215 -0.00011429 -0.00055241 -0.00076195 3.225e+05 2024-05-08 07:52:14,062 INFO [main.py:798]
{rank 0/64} MD step = 185100 step time: 00:00:00.169467 Performance: 65.398 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:52:20,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185100 37020 59.435 -32669 6514.1 -39183 -39183 -0.00043812 -0.00054289 -0.00022858 3.227e+05 2024-05-08 07:52:36,605 INFO [main.py:798]
{rank 0/64} MD step = 185200 step time: 00:00:00.171508 Performance: 65.404 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:52:43,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185200 37040 60.1 -32533 6587.1 -39120 -39120 -0.0003905 -9.5243e-06 -0.00049527 3.2288e+05 2024-05-08 07:52:58,744 INFO [main.py:798]
{rank 0/64} MD step = 185300 step time: 00:00:00.164738 Performance: 65.409 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 07:53:04,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185300 37060 59.966 -32708 6572.4 -39281 -39281 0.00030478 -0.00043812 -0.00025716 3.2304e+05 2024-05-08 07:53:19,971 INFO [main.py:798]
{rank 0/64} MD step = 185400 step time: 00:00:00.168105 Performance: 65.416 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:53:27,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185400 37080 59.471 -32639 6518.1 -39157 -39157 -0.00015239 -0.00046669 -0.00052384 3.2324e+05 2024-05-08 07:53:43,111 INFO [main.py:798]
{rank 0/64} MD step = 185500 step time: 00:00:00.165744 Performance: 65.421 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:53:49,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185500 37100 59.552 -32599 6526.9 -39126 -39126 -0.00033335 -0.00026668 -0.00032859 3.2342e+05 2024-05-08 07:54:05,723 INFO [main.py:798]
{rank 0/64} MD step = 185600 step time: 00:00:00.165303 Performance: 65.426 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:54:11,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185600 37120 60.46 -32499 6626.5 -39125 -39125 -0.00044764 -0.00071909 -0.00037145 3.236e+05 2024-05-08 07:54:26,775 INFO [main.py:798]
{rank 0/64} MD step = 185700 step time: 00:00:00.160165 Performance: 65.433 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 07:54:42,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185700 37140 60.823 -32422 6666.3 -39088 -39088 -0.00055241 -0.00024763 -5.7146e-05 3.2376e+05 2024-05-08 07:54:57,846 INFO [main.py:798]
{rank 0/64} MD step = 185800 step time: 00:00:00.160212 Performance: 65.427 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:55:18,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185800 37160 60.564 -32637 6637.9 -39275 -39275 -0.00045717 -0.00030954 0.00015239 3.2391e+05 2024-05-08 07:55:33,694 INFO [main.py:798]
{rank 0/64} MD step = 185900 step time: 00:00:00.156393 Performance: 65.414 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:55:40,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185900 37180 60.082 -32668 6585.1 -39253 -39253 -0.00030478 -0.00055241 -0.00060956 3.2407e+05 2024-05-08 07:55:55,673 INFO [main.py:798]
{rank 0/64} MD step = 186000 step time: 00:00:00.166026 Performance: 65.420 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:56:01,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186000 37200 60.678 -32518 6650.3 -39168 -39168 -0.00020954 -0.00030478 -0.00038097 3.2425e+05 2024-05-08 07:56:17,094 INFO [main.py:798]
{rank 0/64} MD step = 186100 step time: 00:00:00.165130 Performance: 65.427 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 07:56:22,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186100 37220 60.24 -32599 6602.4 -39201 -39201 -0.00041907 -0.0004905 -0.00069528 3.2439e+05 2024-05-08 07:56:38,388 INFO [main.py:798]
{rank 0/64} MD step = 186200 step time: 00:00:00.154753 Performance: 65.433 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 07:56:42,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186200 37240 59.131 -32715 6480.8 -39196 -39196 -0.00036193 -0.00025716 6.1908e-05 3.2457e+05 2024-05-08 07:56:59,817 INFO [main.py:798]
{rank 0/64} MD step = 186300 step time: 00:00:00.162567 Performance: 65.440 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 07:57:06,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186300 37260 59.464 -32580 6517.3 -39098 -39098 -0.00054289 -0.00057146 -0.00034288 3.2475e+05 2024-05-08 07:57:22,261 INFO [main.py:798]
{rank 0/64} MD step = 186400 step time: 00:00:00.160012 Performance: 65.445 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 07:57:27,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186400 37280 59.821 -32634 6556.4 -39191 -39191 -0.00053336 -0.00040002 -0.00024287 3.2491e+05 2024-05-08 07:57:44,226 INFO [main.py:798]
{rank 0/64} MD step = 186500 step time: 00:00:00.160547 Performance: 65.451 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 07:57:51,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186500 37300 60.001 -32559 6576.2 -39135 -39135 -0.00027144 -0.00064766 -0.00044764 3.2509e+05 2024-05-08 07:58:07,637 INFO [main.py:798]
{rank 0/64} MD step = 186600 step time: 00:00:00.164797 Performance: 65.455 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 07:58:12,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186600 37320 60.619 -32565 6643.9 -39209 -39209 -0.00036193 -0.00054289 -5.7146e-05 3.2528e+05 2024-05-08 07:58:28,742 INFO [main.py:798]
{rank 0/64} MD step = 186700 step time: 00:00:00.162922 Performance: 65.462 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 07:58:34,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186700 37340 59.27 -32730 6496.1 -39227 -39227 -0.00041907 -0.00051431 -0.00036193 3.2547e+05 2024-05-08 07:58:51,184 INFO [main.py:798]
{rank 0/64} MD step = 186800 step time: 00:00:00.166010 Performance: 65.467 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 07:58:57,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186800 37360 59.606 -32631 6532.9 -39164 -39164 -0.00030478 -0.00028573 -0.00072385 3.2565e+05 2024-05-08 07:59:13,129 INFO [main.py:798]
{rank 0/64} MD step = 186900 step time: 00:00:00.155844 Performance: 65.473 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 07:59:27,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186900 37380 59.83 -32778 6557.5 -39336 -39336 -0.00030478 -0.00030478 -0.00068575 3.2582e+05 2024-05-08 07:59:43,023 INFO [main.py:798]
{rank 0/64} MD step = 187000 step time: 00:00:00.152874 Performance: 65.469 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 08:00:00,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187000 37400 59.782 -32638 6552.2 -39191 -39191 -0.00036193 -0.00041907 -0.00024763 3.26e+05 2024-05-08 08:00:15,587 INFO [main.py:798]
{rank 0/64} MD step = 187100 step time: 00:00:00.196263 Performance: 65.461 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 08:00:21,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187100 37420 59.087 -32638 6476 -39114 -39114 -0.00040002 -0.00031907 -3.8097e-05 3.2621e+05 2024-05-08 08:00:36,446 INFO [main.py:798]
{rank 0/64} MD step = 187200 step time: 00:00:00.156459 Performance: 65.468 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 08:00:41,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187200 37440 61.039 -32473 6690 -39163 -39163 -0.00050479 -0.00057146 -0.00026668 3.264e+05 2024-05-08 08:00:57,143 INFO [main.py:798]
{rank 0/64} MD step = 187300 step time: 00:00:00.167404 Performance: 65.475 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 08:01:02,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187300 37460 60.265 -32585 6605.1 -39190 -39190 0 0 -0.00038097 3.2655e+05 2024-05-08 08:01:18,524 INFO [main.py:798]
{rank 0/64} MD step = 187400 step time: 00:00:00.162660 Performance: 65.482 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 08:01:24,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187400 37480 60.541 -32467 6635.4 -39102 -39102 -0.00024763 -0.00047622 -0.00020954 3.2675e+05 2024-05-08 08:01:40,291 INFO [main.py:798]
{rank 0/64} MD step = 187500 step time: 00:00:00.167301 Performance: 65.488 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 08:01:45,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187500 37500 58.92 -32621 6457.7 -39079 -39079 -0.00041907 -0.00041907 -0.00030478 3.2692e+05 2024-05-08 08:02:01,481 INFO [main.py:798]
{rank 0/64} MD step = 187600 step time: 00:00:00.157707 Performance: 65.495 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 08:02:07,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187600 37520 59.728 -32664 6546.2 -39210 -39210 -0.00030478 -0.00041907 -5.2384e-05 3.2708e+05 2024-05-08 08:02:23,070 INFO [main.py:798]
{rank 0/64} MD step = 187700 step time: 00:00:00.154979 Performance: 65.501 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:02:26,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187700 37540 59.232 -32754 6491.9 -39246 -39246 -0.00032383 -0.00031907 -0.00072385 3.2725e+05 2024-05-08 08:02:43,704 INFO [main.py:798]
{rank 0/64} MD step = 187800 step time: 00:00:00.152388 Performance: 65.509 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:02:50,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187800 37560 60.277 -32499 6606.4 -39106 -39106 -0.00051431 -0.00045717 -0.00016191 3.2745e+05 2024-05-08 08:03:06,869 INFO [main.py:798]
{rank 0/64} MD step = 187900 step time: 00:00:00.160944 Performance: 65.513 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:03:10,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187900 37580 59.406 -32530 6510.9 -39041 -39041 0.00019049 -0.00060956 -0.00050955 3.2766e+05 2024-05-08 08:03:27,944 INFO [main.py:798]
{rank 0/64} MD step = 188000 step time: 00:00:00.152290 Performance: 65.520 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:03:42,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188000 37600 59.995 -32676 6575.6 -39251 -39251 -0.00026668 -0.00057622 -0.00053336 3.2779e+05 2024-05-08 08:03:58,030 INFO [main.py:798]
{rank 0/64} MD step = 188100 step time: 00:00:00.159228 Performance: 65.515 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:04:11,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188100 37620 58.965 -32815 6462.7 -39278 -39278 -0.00022858 -0.00043336 0.00015239 3.2794e+05 2024-05-08 08:04:27,026 INFO [main.py:798]
{rank 0/64} MD step = 188200 step time: 00:00:00.149714 Performance: 65.512 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:04:40,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188200 37640 59.903 -32603 6565.5 -39168 -39168 -0.00032383 -0.00034288 -0.00059051 3.2815e+05 2024-05-08 08:04:55,566 INFO [main.py:798]
{rank 0/64} MD step = 188300 step time: 00:00:00.191987 Performance: 65.509 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:04:59,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188300 37660 60.133 -32470 6590.6 -39060 -39060 -0.00032383 -0.000781 0.00011429 3.2835e+05 2024-05-08 08:05:16,734 INFO [main.py:798]
{rank 0/64} MD step = 188400 step time: 00:00:00.164971 Performance: 65.516 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:05:22,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188400 37680 59.501 -32593 6521.4 -39115 -39115 -0.00026668 -0.00027621 -0.00064766 3.2851e+05 2024-05-08 08:05:38,368 INFO [main.py:798]
{rank 0/64} MD step = 188500 step time: 00:00:00.151609 Performance: 65.522 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:05:44,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188500 37700 60.466 -32714 6627.2 -39341 -39341 -0.00036193 -0.00037145 -0.00047622 3.2864e+05 2024-05-08 08:06:00,553 INFO [main.py:798]
{rank 0/64} MD step = 188600 step time: 00:00:00.161700 Performance: 65.528 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:06:05,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188600 37720 60.299 -32509 6608.8 -39118 -39118 -0.00044764 -0.00050479 -0.00059527 3.2886e+05 2024-05-08 08:06:21,789 INFO [main.py:798]
{rank 0/64} MD step = 188700 step time: 00:00:00.153048 Performance: 65.534 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:06:27,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188700 37740 60.699 -32537 6652.7 -39190 -39190 -0.00017144 -0.00040002 -4.7622e-05 3.2903e+05 2024-05-08 08:06:43,221 INFO [main.py:798]
{rank 0/64} MD step = 188800 step time: 00:00:00.152148 Performance: 65.541 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:06:48,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188800 37760 60.092 -32613 6586.1 -39199 -39199 -0.00026668 -0.00073576 -0.00036193 3.292e+05 2024-05-08 08:07:04,411 INFO [main.py:798]
{rank 0/64} MD step = 188900 step time: 00:00:00.151929 Performance: 65.548 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:07:09,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188900 37780 59.585 -32679 6530.5 -39210 -39210 -0.00020954 -0.00051431 -0.00037145 3.2936e+05 2024-05-08 08:07:25,892 INFO [main.py:798]
{rank 0/64} MD step = 189000 step time: 00:00:00.152893 Performance: 65.554 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:07:32,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189000 37800 59.353 -32619 6505.2 -39124 -39124 -7.6195e-05 -0.00030478 -0.00011429 3.2955e+05 2024-05-08 08:07:47,320 INFO [main.py:798]
{rank 0/64} MD step = 189100 step time: 00:00:00.148139 Performance: 65.561 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:07:58,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189100 37820 60.229 -32633 6601.1 -39234 -39234 -0.00049527 -0.00041907 -0.00028573 3.297e+05 2024-05-08 08:08:16,347 INFO [main.py:798]
{rank 0/64} MD step = 189200 step time: 00:00:00.155027 Performance: 65.557 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:08:32,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189200 37840 60.386 -32431 6618.4 -39050 -39050 7.6195e-05 -0.00024763 -0.00051431 3.2993e+05 2024-05-08 08:08:48,572 INFO [main.py:798]
{rank 0/64} MD step = 189300 step time: 00:00:00.173788 Performance: 65.549 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:09:05,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189300 37860 59.33 -32587 6502.7 -39089 -39089 -9.5243e-05 -0.00064289 -0.00053336 3.3008e+05 2024-05-08 08:09:21,365 INFO [main.py:798]
{rank 0/64} MD step = 189400 step time: 00:00:00.166522 Performance: 65.541 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:09:28,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189400 37880 59.459 -32554 6516.8 -39071 -39071 -0.00019049 -0.00045717 -0.00034288 3.3026e+05 2024-05-08 08:09:45,106 INFO [main.py:798]
{rank 0/64} MD step = 189500 step time: 00:00:00.159814 Performance: 65.544 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:09:58,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189500 37900 60.731 -32502 6656.2 -39158 -39158 -0.00022858 -0.00048574 -0.00040002 3.3045e+05 2024-05-08 08:10:14,872 INFO [main.py:798]
{rank 0/64} MD step = 189600 step time: 00:00:00.165011 Performance: 65.540 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:10:22,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189600 37920 59.792 -32673 6553.3 -39226 -39226 -0.00038097 -0.0004286 -0.00046669 3.306e+05 2024-05-08 08:10:38,756 INFO [main.py:798]
{rank 0/64} MD step = 189700 step time: 00:00:00.166567 Performance: 65.543 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:10:45,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189700 37940 59.336 -32662 6503.3 -39166 -39166 -3.8097e-05 -0.00049527 -0.00034288 3.3077e+05 2024-05-08 08:11:01,654 INFO [main.py:798]
{rank 0/64} MD step = 189800 step time: 00:00:00.161124 Performance: 65.548 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:11:08,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189800 37960 60.12 -32624 6589.3 -39213 -39213 0.00020954 -0.00062623 5.7146e-05 3.3093e+05 2024-05-08 08:11:25,356 INFO [main.py:798]
{rank 0/64} MD step = 189900 step time: 00:00:00.158944 Performance: 65.551 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:11:31,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189900 37980 59.623 -32673 6534.7 -39207 -39207 1.4287e-05 -0.00033335 -0.00062861 3.3107e+05 2024-05-08 08:11:47,424 INFO [main.py:798]
{rank 0/64} MD step = 190000 step time: 00:00:00.157894 Performance: 65.557 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:11:51,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190000 38000 60.008 -32586 6577 -39163 -39163 -0.00047622 -0.00034288 -3.8097e-05 3.313e+05 2024-05-08 08:12:10,050 INFO [main.py:798]
{rank 0/64} MD step = 190100 step time: 00:00:00.159154 Performance: 65.562 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:12:35,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190100 38020 59.615 -32612 6533.9 -39146 -39146 -0.00041907 -0.00051431 -0.00057146 3.3146e+05 2024-05-08 08:12:51,125 INFO [main.py:798]
{rank 0/64} MD step = 190200 step time: 00:00:00.160358 Performance: 65.542 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:13:23,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190200 38040 59.283 -32742 6497.5 -39239 -39239 2.8573e-05 -0.00034288 -0.00010477 3.3162e+05 2024-05-08 08:13:41,369 INFO [main.py:798]
{rank 0/64} MD step = 190300 step time: 00:00:00.155551 Performance: 65.511 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:14:03,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190300 38060 59.421 -32730 6512.7 -39243 -39243 -0.00034288 -0.00049527 -2.8573e-05 3.3178e+05 2024-05-08 08:14:18,988 INFO [main.py:798]
{rank 0/64} MD step = 190400 step time: 00:00:00.154481 Performance: 65.497 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 08:14:23,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190400 38080 60.582 -32488 6639.9 -39128 -39128 -0.00027621 -0.00030478 -0.00050479 3.3198e+05 2024-05-08 08:14:40,996 INFO [main.py:798]
{rank 0/64} MD step = 190500 step time: 00:00:00.155100 Performance: 65.502 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:14:46,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190500 38100 59.856 -32598 6560.3 -39159 -39159 7.6195e-05 -0.00037145 -0.00032859 3.3214e+05 2024-05-08 08:15:02,380 INFO [main.py:798]
{rank 0/64} MD step = 190600 step time: 00:00:00.140833 Performance: 65.509 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:15:11,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190600 38120 59.967 -32532 6572.4 -39104 -39104 -0.00027621 -0.00045717 1.9049e-05 3.3233e+05 2024-05-08 08:15:27,587 INFO [main.py:798]
{rank 0/64} MD step = 190700 step time: 00:00:00.154440 Performance: 65.510 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:15:33,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190700 38140 58.791 -32768 6443.5 -39212 -39212 -0.00038097 -0.00045241 -0.00026668 3.3252e+05 2024-05-08 08:15:49,949 INFO [main.py:798]
{rank 0/64} MD step = 190800 step time: 00:00:00.150755 Performance: 65.516 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:15:57,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190800 38160 60.264 -32413 6605 -39018 -39018 -0.00019049 -0.00061908 -0.00038097 3.3271e+05 2024-05-08 08:16:13,443 INFO [main.py:798]
{rank 0/64} MD step = 190900 step time: 00:00:00.158904 Performance: 65.519 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:16:17,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190900 38180 58.871 -32718 6452.3 -39170 -39170 -0.00043812 -0.00062861 -0.00055241 3.3286e+05 2024-05-08 08:16:34,934 INFO [main.py:798]
{rank 0/64} MD step = 191000 step time: 00:00:00.145189 Performance: 65.526 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:16:42,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191000 38200 59.676 -32543 6540.6 -39084 -39084 -0.00011429 -0.00051431 -0.00064766 3.3303e+05 2024-05-08 08:16:58,517 INFO [main.py:798]
{rank 0/64} MD step = 191100 step time: 00:00:00.138583 Performance: 65.529 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:17:07,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191100 38220 59.953 -32616 6570.9 -39187 -39187 -0.00045717 -0.00041907 0 3.3319e+05 2024-05-08 08:17:23,503 INFO [main.py:798]
{rank 0/64} MD step = 191200 step time: 00:00:00.151038 Performance: 65.531 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:17:39,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191200 38240 60.362 -32484 6615.7 -39099 -39099 -0.00034288 -0.00048574 -0.00015239 3.3337e+05 2024-05-08 08:17:55,318 INFO [main.py:798]
{rank 0/64} MD step = 191300 step time: 00:00:00.169088 Performance: 65.524 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:18:18,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191300 38260 59.592 -32567 6531.3 -39099 -39099 -0.00030478 -0.00032383 -0.00020954 3.3355e+05 2024-05-08 08:18:34,786 INFO [main.py:798]
{rank 0/64} MD step = 191400 step time: 00:00:00.168154 Performance: 65.507 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:18:40,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191400 38280 59.681 -32590 6541.1 -39131 -39131 -0.00045717 -0.00045717 -0.00059051 3.3371e+05 2024-05-08 08:18:56,465 INFO [main.py:798]
{rank 0/64} MD step = 191500 step time: 00:00:00.162831 Performance: 65.513 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 08:19:02,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191500 38300 59.394 -32503 6509.6 -39013 -39013 -0.00015239 -0.00032383 -0.00064766 3.3386e+05 2024-05-08 08:19:18,455 INFO [main.py:798]
{rank 0/64} MD step = 191600 step time: 00:00:00.166564 Performance: 65.519 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:19:24,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191600 38320 60.06 -32557 6582.6 -39139 -39139 -0.00030478 -0.00030478 -0.00011429 3.3405e+05 2024-05-08 08:19:40,292 INFO [main.py:798]
{rank 0/64} MD step = 191700 step time: 00:00:00.168590 Performance: 65.525 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:19:46,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191700 38340 59.848 -32608 6559.5 -39168 -39168 -3.8097e-05 -0.00028573 3.8097e-05 3.342e+05 2024-05-08 08:20:02,173 INFO [main.py:798]
{rank 0/64} MD step = 191800 step time: 00:00:00.159019 Performance: 65.531 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:20:08,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191800 38360 59.506 -32662 6521.9 -39184 -39184 -0.0004286 -0.00062861 -0.00062861 3.3438e+05 2024-05-08 08:20:25,840 INFO [main.py:798]
{rank 0/64} MD step = 191900 step time: 00:00:00.158761 Performance: 65.534 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 08:20:31,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191900 38380 60.514 -32545 6632.5 -39177 -39177 -0.00026668 -0.0003905 -0.00071433 3.3458e+05 2024-05-08 08:20:47,260 INFO [main.py:798]
{rank 0/64} MD step = 192000 step time: 00:00:00.162695 Performance: 65.540 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:20:53,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192000 38400 59.72 -32689 6545.4 -39234 -39234 -0.00038097 -0.00031907 -0.00032383 3.3474e+05 2024-05-08 08:21:09,135 INFO [main.py:798]
{rank 0/64} MD step = 192100 step time: 00:00:00.157354 Performance: 65.546 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:21:14,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192100 38420 60.439 -32483 6624.1 -39107 -39107 0.00030478 -7.6195e-05 -0.0006667 3.3492e+05 2024-05-08 08:21:29,775 INFO [main.py:798]
{rank 0/64} MD step = 192200 step time: 00:00:00.155502 Performance: 65.554 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:21:35,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192200 38440 59.903 -32671 6565.5 -39237 -39237 -0.00024763 -0.00037145 -0.00018096 3.351e+05 2024-05-08 08:21:51,343 INFO [main.py:798]
{rank 0/64} MD step = 192300 step time: 00:00:00.156458 Performance: 65.560 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:22:10,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192300 38460 60.443 -32561 6624.6 -39186 -39186 -0.00045717 -0.00030478 -0.00026668 3.3529e+05 2024-05-08 08:22:26,633 INFO [main.py:798]
{rank 0/64} MD step = 192400 step time: 00:00:00.147943 Performance: 65.548 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:22:45,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192400 38480 59.843 -32437 6558.9 -38996 -38996 -0.00024763 -0.00062861 -0.00068575 3.3549e+05 2024-05-08 08:23:01,969 INFO [main.py:798]
{rank 0/64} MD step = 192500 step time: 00:00:00.144220 Performance: 65.537 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:23:07,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192500 38500 59.509 -32537 6522.2 -39059 -39059 -0.00034288 -0.00030478 -0.00059051 3.3568e+05 2024-05-08 08:23:23,599 INFO [main.py:798]
{rank 0/64} MD step = 192600 step time: 00:00:00.144467 Performance: 65.543 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:23:28,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192600 38520 59.496 -32614 6520.9 -39134 -39134 -9.5243e-05 -0.00019049 0.00018572 3.3583e+05 2024-05-08 08:23:45,118 INFO [main.py:798]
{rank 0/64} MD step = 192700 step time: 00:00:00.141922 Performance: 65.549 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 08:23:50,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192700 38540 59.881 -32570 6563 -39133 -39133 -9.5243e-05 -0.00079052 -0.00045717 3.3599e+05 2024-05-08 08:24:06,331 INFO [main.py:798]
{rank 0/64} MD step = 192800 step time: 00:00:00.143530 Performance: 65.556 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:24:09,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192800 38560 59.327 -32624 6502.4 -39126 -39126 -0.00045717 -0.00045717 -0.00050479 3.3618e+05 2024-05-08 08:24:28,367 INFO [main.py:798]
{rank 0/64} MD step = 192900 step time: 00:00:00.146491 Performance: 65.561 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:24:34,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192900 38580 60.728 -32422 6655.8 -39078 -39078 -0.00034288 -0.00044764 -0.00059051 3.3634e+05 2024-05-08 08:24:50,503 INFO [main.py:798]
{rank 0/64} MD step = 193000 step time: 00:00:00.148572 Performance: 65.567 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:24:56,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193000 38600 60.322 -32554 6611.3 -39165 -39165 -0.00022858 -0.00045717 0 3.3648e+05 2024-05-08 08:25:13,059 INFO [main.py:798]
{rank 0/64} MD step = 193100 step time: 00:00:00.143547 Performance: 65.572 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:25:18,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193100 38620 60.135 -32528 6590.8 -39119 -39119 -0.00046669 -0.00045717 -0.00064766 3.3667e+05 2024-05-08 08:25:34,943 INFO [main.py:798]
{rank 0/64} MD step = 193200 step time: 00:00:00.146878 Performance: 65.577 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:25:40,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193200 38640 59.18 -32627 6486.2 -39113 -39113 -0.00020954 -0.00057146 -0.00045717 3.3684e+05 2024-05-08 08:25:56,214 INFO [main.py:798]
{rank 0/64} MD step = 193300 step time: 00:00:00.154449 Performance: 65.584 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:26:02,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193300 38660 59.844 -32524 6559 -39084 -39084 -0.00028573 -0.00051431 -0.00040002 3.3703e+05 2024-05-08 08:26:18,170 INFO [main.py:798]
{rank 0/64} MD step = 193400 step time: 00:00:00.150997 Performance: 65.590 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:26:40,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193400 38680 59.362 -32590 6506.2 -39096 -39096 -0.00038097 -0.00028573 -0.00037145 3.372e+05 2024-05-08 08:26:56,048 INFO [main.py:798]
{rank 0/64} MD step = 193500 step time: 00:00:00.158121 Performance: 65.575 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:27:06,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193500 38700 59.267 -32641 6495.8 -39137 -39137 -0.00047622 -0.00032383 -0.00056194 3.374e+05 2024-05-08 08:27:25,479 INFO [main.py:798]
{rank 0/64} MD step = 193600 step time: 00:00:00.165622 Performance: 65.571 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:27:30,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193600 38720 59.677 -32605 6540.7 -39145 -39145 -0.00036193 -0.00068575 5.7146e-05 3.376e+05 2024-05-08 08:27:47,365 INFO [main.py:798]
{rank 0/64} MD step = 193700 step time: 00:00:00.160133 Performance: 65.577 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:27:53,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193700 38740 59.787 -32691 6552.7 -39244 -39244 -0.00024763 -0.00038097 -0.00038097 3.3773e+05 2024-05-08 08:28:09,501 INFO [main.py:798]
{rank 0/64} MD step = 193800 step time: 00:00:00.157955 Performance: 65.582 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:28:19,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193800 38760 60.81 -32521 6664.9 -39186 -39186 -0.00034288 -0.00051431 -0.0006667 3.3792e+05 2024-05-08 08:28:35,241 INFO [main.py:798]
{rank 0/64} MD step = 193900 step time: 00:00:00.167740 Performance: 65.583 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:28:40,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193900 38780 60.22 -32504 6600.2 -39104 -39104 -0.00019049 -0.00033335 -0.00046669 3.381e+05 2024-05-08 08:28:56,596 INFO [main.py:798]
{rank 0/64} MD step = 194000 step time: 00:00:00.172131 Performance: 65.589 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:29:03,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194000 38800 60.51 -32561 6632 -39193 -39193 -0.00019049 -0.00045717 -0.00041907 3.3827e+05 2024-05-08 08:29:19,298 INFO [main.py:798]
{rank 0/64} MD step = 194100 step time: 00:00:00.171988 Performance: 65.594 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:29:29,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194100 38820 60.099 -32534 6587 -39121 -39121 -0.00020001 -0.00058099 -9.5243e-05 3.3848e+05 2024-05-08 08:29:45,568 INFO [main.py:798]
{rank 0/64} MD step = 194200 step time: 00:00:00.196529 Performance: 65.594 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:29:52,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194200 38840 59.758 -32598 6549.5 -39148 -39148 -0.00028573 -0.00025716 -0.00051431 3.3864e+05 2024-05-08 08:30:09,123 INFO [main.py:798]
{rank 0/64} MD step = 194300 step time: 00:00:00.161692 Performance: 65.597 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:30:14,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194300 38860 59.76 -32606 6549.8 -39156 -39156 -0.00038097 -0.00041907 0.00015239 3.3883e+05 2024-05-08 08:30:31,526 INFO [main.py:798]
{rank 0/64} MD step = 194400 step time: 00:00:00.159216 Performance: 65.603 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:30:37,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194400 38880 59.514 -32514 6522.8 -39037 -39037 -0.00019049 -0.00062861 -0.00041907 3.3904e+05 2024-05-08 08:30:53,689 INFO [main.py:798]
{rank 0/64} MD step = 194500 step time: 00:00:00.157896 Performance: 65.608 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:31:12,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194500 38900 60.569 -32402 6638.5 -39041 -39041 -0.00043812 -0.00049527 -0.00015239 3.3919e+05 2024-05-08 08:31:27,696 INFO [main.py:798]
{rank 0/64} MD step = 194600 step time: 00:00:00.149790 Performance: 65.598 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:31:52,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194600 38920 59.722 -32511 6545.6 -39057 -39057 -0.00036193 -0.00030478 -0.00056194 3.3938e+05 2024-05-08 08:32:07,189 INFO [main.py:798]
{rank 0/64} MD step = 194700 step time: 00:00:00.150705 Performance: 65.581 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:32:24,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194700 38940 59.612 -32496 6533.6 -39029 -39029 -0.00023811 -0.00060956 0 3.3955e+05 2024-05-08 08:32:40,599 INFO [main.py:798]
{rank 0/64} MD step = 194800 step time: 00:00:00.151385 Performance: 65.572 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:32:45,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194800 38960 60.673 -32580 6649.8 -39230 -39230 -0.00027621 -0.00032383 -0.00055241 3.3971e+05 2024-05-08 08:33:02,329 INFO [main.py:798]
{rank 0/64} MD step = 194900 step time: 00:00:00.163884 Performance: 65.578 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:33:07,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194900 38980 60.04 -32574 6580.5 -39155 -39155 -0.00050479 -0.00054289 -0.00010477 3.3987e+05 2024-05-08 08:33:24,054 INFO [main.py:798]
{rank 0/64} MD step = 195000 step time: 00:00:00.166444 Performance: 65.584 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:33:33,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195000 39000 60.977 -32468 6683.1 -39152 -39152 -3.8097e-05 -0.00049527 -0.00043812 3.4005e+05 2024-05-08 08:33:49,254 INFO [main.py:798]
{rank 0/64} MD step = 195100 step time: 00:00:00.153795 Performance: 65.586 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:33:54,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195100 39020 60.128 -32677 6590.1 -39267 -39267 -0.00041907 -0.0006548 -0.00046193 3.4019e+05 2024-05-08 08:34:15,440 INFO [main.py:798]
{rank 0/64} MD step = 195200 step time: 00:00:00.157524 Performance: 65.586 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:34:22,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195200 39040 59.898 -32440 6564.9 -39005 -39005 -0.00020001 -0.00058575 -0.00022858 3.4038e+05 2024-05-08 08:34:38,053 INFO [main.py:798]
{rank 0/64} MD step = 195300 step time: 00:00:00.148621 Performance: 65.590 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:34:47,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195300 39060 59.557 -32610 6527.5 -39138 -39138 -0.00034288 -0.00038097 -0.00073337 3.4053e+05 2024-05-08 08:35:02,966 INFO [main.py:798]
{rank 0/64} MD step = 195400 step time: 00:00:00.159778 Performance: 65.592 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:35:08,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195400 39080 60.128 -32537 6590.2 -39127 -39127 -0.00041907 -0.00053336 -0.00045717 3.4073e+05 2024-05-08 08:35:24,330 INFO [main.py:798]
{rank 0/64} MD step = 195500 step time: 00:00:00.166465 Performance: 65.599 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:35:37,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195500 39100 59.373 -32638 6507.4 -39145 -39145 5.7146e-05 -0.00053336 -0.00075242 3.4091e+05 2024-05-08 08:35:53,283 INFO [main.py:798]
{rank 0/64} MD step = 195600 step time: 00:00:00.162527 Performance: 65.595 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:36:04,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195600 39120 59.646 -32586 6537.2 -39123 -39123 -0.00038097 -0.00062861 -0.00038097 3.4106e+05 2024-05-08 08:36:24,225 INFO [main.py:798]
{rank 0/64} MD step = 195700 step time: 00:00:00.161114 Performance: 65.589 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:36:35,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195700 39140 59.663 -32571 6539.2 -39110 -39110 -0.00019049 -0.0003524 -0.00027621 3.412e+05 2024-05-08 08:36:50,649 INFO [main.py:798]
{rank 0/64} MD step = 195800 step time: 00:00:00.143840 Performance: 65.589 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:36:58,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195800 39160 60.046 -32523 6581.1 -39104 -39104 0.0002143 -0.00069528 -0.00049527 3.414e+05 2024-05-08 08:37:14,322 INFO [main.py:798]
{rank 0/64} MD step = 195900 step time: 00:00:00.143993 Performance: 65.593 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:37:22,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195900 39180 60.101 -32570 6587.2 -39158 -39158 -0.00030478 -0.00024763 -0.00011429 3.4155e+05 2024-05-08 08:37:38,288 INFO [main.py:798]
{rank 0/64} MD step = 196000 step time: 00:00:00.138624 Performance: 65.596 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:37:44,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196000 39200 59.207 -32556 6489.2 -39045 -39045 -0.00026668 -0.00055241 -0.00060956 3.4175e+05 2024-05-08 08:38:01,117 INFO [main.py:798]
{rank 0/64} MD step = 196100 step time: 00:00:00.142442 Performance: 65.600 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:38:07,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196100 39220 59.786 -32549 6552.7 -39101 -39101 -0.00034288 7.6195e-05 -0.00058099 3.419e+05 2024-05-08 08:38:23,749 INFO [main.py:798]
{rank 0/64} MD step = 196200 step time: 00:00:00.140483 Performance: 65.605 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:38:58,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196200 39240 59.913 -32545 6566.5 -39112 -39112 -0.00038574 -0.00051431 -0.00028573 3.4206e+05 2024-05-08 08:39:13,822 INFO [main.py:798]
{rank 0/64} MD step = 196300 step time: 00:00:00.159498 Performance: 65.575 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:39:19,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196300 39260 61.08 -32583 6694.5 -39277 -39277 -0.00041907 -0.00040002 -0.00041907 3.4223e+05 2024-05-08 08:39:35,052 INFO [main.py:798]
{rank 0/64} MD step = 196400 step time: 00:00:00.156862 Performance: 65.581 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:39:42,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196400 39280 61.304 -32397 6719 -39116 -39116 -0.00045717 -0.00045717 -0.00055241 3.4241e+05 2024-05-08 08:39:57,902 INFO [main.py:798]
{rank 0/64} MD step = 196500 step time: 00:00:00.161621 Performance: 65.586 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:40:13,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196500 39300 60.045 -32549 6581 -39130 -39130 -0.00017144 -0.00036193 -0.00055241 3.4264e+05 2024-05-08 08:40:29,846 INFO [main.py:798]
{rank 0/64} MD step = 196600 step time: 00:00:00.146906 Performance: 65.579 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:40:57,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196600 39320 60.178 -32517 6595.5 -39113 -39113 -0.00051431 -0.0007048 -0.00079052 3.4276e+05 2024-05-08 08:41:12,764 INFO [main.py:798]
{rank 0/64} MD step = 196700 step time: 00:00:00.153911 Performance: 65.558 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:41:19,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196700 39340 60.607 -32466 6642.6 -39108 -39108 -0.00031907 2.8573e-05 -0.00020954 3.4294e+05 2024-05-08 08:41:34,996 INFO [main.py:798]
{rank 0/64} MD step = 196800 step time: 00:00:00.154854 Performance: 65.563 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:41:43,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196800 39360 60.672 -32585 6649.7 -39235 -39235 -0.00032383 -0.00064766 -0.00022858 3.4311e+05 2024-05-08 08:41:58,749 INFO [main.py:798]
{rank 0/64} MD step = 196900 step time: 00:00:00.156763 Performance: 65.566 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:42:07,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196900 39380 59.72 -32438 6545.4 -38983 -38983 -0.00036193 -0.00053336 -0.00047622 3.4331e+05 2024-05-08 08:42:23,225 INFO [main.py:798]
{rank 0/64} MD step = 197000 step time: 00:00:00.161008 Performance: 65.569 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 08:42:29,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197000 39400 60.552 -32463 6636.6 -39099 -39099 -0.00030478 -3.8097e-05 -0.00065242 3.4344e+05 2024-05-08 08:42:44,760 INFO [main.py:798]
{rank 0/64} MD step = 197100 step time: 00:00:00.157634 Performance: 65.575 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:42:49,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197100 39420 60.036 -32637 6580 -39217 -39217 -0.00047622 -0.00035478 -0.00034764 3.4362e+05 2024-05-08 08:43:05,683 INFO [main.py:798]
{rank 0/64} MD step = 197200 step time: 00:00:00.162640 Performance: 65.582 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 08:43:11,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197200 39440 60.006 -32507 6576.7 -39083 -39083 -0.00030478 -0.00057146 -0.00030478 3.4381e+05 2024-05-08 08:43:27,491 INFO [main.py:798]
{rank 0/64} MD step = 197300 step time: 00:00:00.149843 Performance: 65.587 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:43:33,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197300 39460 60.937 -32412 6678.8 -39091 -39091 -0.0004286 -0.00030478 -0.00040002 3.4398e+05 2024-05-08 08:43:49,178 INFO [main.py:798]
{rank 0/64} MD step = 197400 step time: 00:00:00.154831 Performance: 65.593 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:43:57,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197400 39480 61.071 -32436 6693.5 -39130 -39130 -0.00030478 -0.00075242 -0.00076195 3.4416e+05 2024-05-08 08:44:13,130 INFO [main.py:798]
{rank 0/64} MD step = 197500 step time: 00:00:00.164277 Performance: 65.596 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:44:18,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197500 39500 58.983 -32698 6464.6 -39163 -39163 -0.00017144 -0.00030478 -0.00046431 3.4431e+05 2024-05-08 08:44:34,400 INFO [main.py:798]
{rank 0/64} MD step = 197600 step time: 00:00:00.150113 Performance: 65.603 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 08:44:40,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197600 39520 59.323 -32596 6501.9 -39098 -39098 -3.8097e-05 7.6195e-05 -0.00038574 3.4451e+05 2024-05-08 08:44:56,582 INFO [main.py:798]
{rank 0/64} MD step = 197700 step time: 00:00:00.146649 Performance: 65.608 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:45:02,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197700 39540 59.697 -32545 6542.8 -39088 -39088 -0.00026668 -0.00018096 -0.00045717 3.4469e+05 2024-05-08 08:45:17,696 INFO [main.py:798]
{rank 0/64} MD step = 197800 step time: 00:00:00.146952 Performance: 65.614 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:45:27,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197800 39560 59.235 -32715 6492.2 -39207 -39207 -0.00036193 -0.00054289 -0.00060956 3.4487e+05 2024-05-08 08:45:43,159 INFO [main.py:798]
{rank 0/64} MD step = 197900 step time: 00:00:00.159744 Performance: 65.615 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:45:47,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197900 39580 59.975 -32629 6573.4 -39202 -39202 -0.00026668 -0.00040002 -0.00051431 3.4501e+05 2024-05-08 08:46:03,864 INFO [main.py:798]
{rank 0/64} MD step = 198000 step time: 00:00:00.153344 Performance: 65.623 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:46:10,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198000 39600 60.374 -32582 6617 -39199 -39199 -0.00041907 -0.0007429 -0.0007429 3.452e+05 2024-05-08 08:46:25,951 INFO [main.py:798]
{rank 0/64} MD step = 198100 step time: 00:00:00.148861 Performance: 65.628 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:46:43,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198100 39620 58.848 -32670 6449.8 -39119 -39119 -0.0003905 -0.00061908 -6.667e-05 3.454e+05 2024-05-08 08:47:04,727 INFO [main.py:798]
{rank 0/64} MD step = 198200 step time: 00:00:00.155557 Performance: 65.612 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:47:19,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198200 39640 59.561 -32483 6528 -39011 -39011 -5.7146e-05 -0.00038097 -0.00027144 3.4556e+05 2024-05-08 08:47:35,530 INFO [main.py:798]
{rank 0/64} MD step = 198300 step time: 00:00:00.178178 Performance: 65.607 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:47:45,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198300 39660 59.721 -32430 6545.5 -38975 -38975 7.6195e-05 -0.00041907 -0.00049527 3.4577e+05 2024-05-08 08:48:03,101 INFO [main.py:798]
{rank 0/64} MD step = 198400 step time: 00:00:00.157883 Performance: 65.605 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:48:11,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198400 39680 59.859 -32640 6560.6 -39201 -39201 -0.00051431 -0.00041907 -0.00037145 3.4593e+05 2024-05-08 08:48:27,880 INFO [main.py:798]
{rank 0/64} MD step = 198500 step time: 00:00:00.144271 Performance: 65.607 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:48:35,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198500 39700 60.561 -32526 6637.6 -39163 -39163 -0.00040002 -0.00055241 -0.00011905 3.4608e+05 2024-05-08 08:48:51,148 INFO [main.py:798]
{rank 0/64} MD step = 198600 step time: 00:00:00.148000 Performance: 65.611 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:48:56,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198600 39720 61.005 -32407 6686.2 -39093 -39093 -0.00034288 -0.00053336 3.8097e-05 3.4623e+05 2024-05-08 08:49:12,856 INFO [main.py:798]
{rank 0/64} MD step = 198700 step time: 00:00:00.162476 Performance: 65.617 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:49:19,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198700 39740 60.895 -32555 6674.2 -39230 -39230 -0.00032383 -0.00045241 0.00015239 3.4642e+05 2024-05-08 08:49:35,008 INFO [main.py:798]
{rank 0/64} MD step = 198800 step time: 00:00:00.157231 Performance: 65.622 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:49:51,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198800 39760 60.378 -32521 6617.5 -39139 -39139 -0.00047622 -0.00050479 -0.00042383 3.4661e+05 2024-05-08 08:50:06,790 INFO [main.py:798]
{rank 0/64} MD step = 198900 step time: 00:00:00.167770 Performance: 65.615 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:50:12,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198900 39780 60.16 -32623 6593.7 -39217 -39217 -0.00043812 -0.00038574 -0.0005667 3.4679e+05 2024-05-08 08:50:27,980 INFO [main.py:798]
{rank 0/64} MD step = 199000 step time: 00:00:00.163829 Performance: 65.622 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:50:34,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199000 39800 60.5 -32451 6630.9 -39082 -39082 -8.5719e-05 -0.00051431 -0.00026668 3.4696e+05 2024-05-08 08:50:49,510 INFO [main.py:798]
{rank 0/64} MD step = 199100 step time: 00:00:00.150178 Performance: 65.628 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:50:54,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199100 39820 60.435 -32601 6623.8 -39225 -39225 -0.00041907 1.9049e-05 -4.7622e-05 3.4707e+05 2024-05-08 08:51:11,487 INFO [main.py:798]
{rank 0/64} MD step = 199200 step time: 00:00:00.143112 Performance: 65.633 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:51:28,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199200 39840 59.83 -32493 6557.4 -39050 -39050 -0.00034288 -0.00010477 -0.00037145 3.4729e+05 2024-05-08 08:51:44,804 INFO [main.py:798]
{rank 0/64} MD step = 199300 step time: 00:00:00.153246 Performance: 65.624 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:52:07,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199300 39860 60.91 -32545 6675.8 -39221 -39221 -0.00045717 -0.00036669 -0.00060956 3.4744e+05 2024-05-08 08:52:23,608 INFO [main.py:798]
{rank 0/64} MD step = 199400 step time: 00:00:00.147856 Performance: 65.609 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:52:29,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199400 39880 60.164 -32556 6594 -39150 -39150 -0.00032383 -0.00057146 -0.0006667 3.4763e+05 2024-05-08 08:52:45,242 INFO [main.py:798]
{rank 0/64} MD step = 199500 step time: 00:00:00.150995 Performance: 65.615 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:52:49,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199500 39900 60.322 -32553 6611.3 -39165 -39165 -0.00060956 -0.00046669 -0.00017144 3.478e+05 2024-05-08 08:53:07,519 INFO [main.py:798]
{rank 0/64} MD step = 199600 step time: 00:00:00.149451 Performance: 65.620 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 08:53:16,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199600 39920 60.422 -32534 6622.3 -39156 -39156 -0.0003524 -0.00023811 -0.00077623 3.48e+05 2024-05-08 08:53:32,820 INFO [main.py:798]
{rank 0/64} MD step = 199700 step time: 00:00:00.143307 Performance: 65.621 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:53:39,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199700 39940 60.218 -32560 6599.9 -39160 -39160 -0.00049527 -0.00038097 -0.00045717 3.4817e+05 2024-05-08 08:53:55,075 INFO [main.py:798]
{rank 0/64} MD step = 199800 step time: 00:00:00.137133 Performance: 65.626 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:53:59,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199800 39960 60.123 -32639 6589.6 -39229 -39229 -0.00038097 -0.00012858 -0.000781 3.4833e+05 2024-05-08 08:54:16,689 INFO [main.py:798]
{rank 0/64} MD step = 199900 step time: 00:00:00.143048 Performance: 65.632 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:54:23,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199900 39980 60.39 -32505 6618.8 -39124 -39124 -0.00059051 -0.00038574 -0.00045717 3.4854e+05 2024-05-08 08:54:39,092 INFO [main.py:798]
{rank 0/64} MD step = 200000 step time: 00:00:00.147452 Performance: 65.637 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 08:54:44,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200000 40000 60.617 -32491 6643.7 -39135 -39135 -0.00043812 -0.0003524 -0.00064766 3.4872e+05 2024-05-08 08:55:00,061 INFO [main.py:798]
{rank 0/64} MD step = 200100 step time: 00:00:00.141741 Performance: 65.643 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:55:06,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200100 40020 59.574 -32516 6529.4 -39045 -39045 0.00026668 -0.00051431 -0.00064766 3.4887e+05 2024-05-08 08:55:22,248 INFO [main.py:798]
{rank 0/64} MD step = 200200 step time: 00:00:00.145746 Performance: 65.649 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:55:27,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200200 40040 58.824 -32748 6447.2 -39195 -39195 -0.00026668 -0.00047622 7.6195e-05 3.4902e+05 2024-05-08 08:55:44,181 INFO [main.py:798]
{rank 0/64} MD step = 200300 step time: 00:00:00.143685 Performance: 65.654 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:55:55,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200300 40060 60.42 -32579 6622.1 -39201 -39201 0.00024763 -0.00052384 -0.00030478 3.4919e+05 2024-05-08 08:56:14,977 INFO [main.py:798]
{rank 0/64} MD step = 200400 step time: 00:00:00.154263 Performance: 65.649 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:56:32,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200400 40080 59.502 -32668 6521.4 -39189 -39189 0.00025716 -0.00029049 -0.00038097 3.4937e+05 2024-05-08 08:56:48,332 INFO [main.py:798]
{rank 0/64} MD step = 200500 step time: 00:00:00.138005 Performance: 65.640 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:56:59,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200500 40100 60.039 -32520 6580.3 -39100 -39100 -0.00036669 -0.00026668 -0.00044764 3.496e+05 2024-05-08 08:57:15,771 INFO [main.py:798]
{rank 0/64} MD step = 200600 step time: 00:00:00.140477 Performance: 65.638 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:57:21,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200600 40120 60.032 -32483 6579.6 -39063 -39063 -0.00053336 -0.00051431 -0.00038097 3.4975e+05 2024-05-08 08:57:38,023 INFO [main.py:798]
{rank 0/64} MD step = 200700 step time: 00:00:00.150636 Performance: 65.643 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:57:44,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200700 40140 59.798 -32671 6553.9 -39225 -39225 -0.00042383 -0.00053336 -0.00026668 3.4993e+05 2024-05-08 08:58:00,432 INFO [main.py:798]
{rank 0/64} MD step = 200800 step time: 00:00:00.145630 Performance: 65.648 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:58:05,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200800 40160 60.549 -32636 6636.2 -39272 -39272 -0.00026668 -0.00032383 0 3.5009e+05 2024-05-08 08:58:23,571 INFO [main.py:798]
{rank 0/64} MD step = 200900 step time: 00:00:00.138049 Performance: 65.652 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 08:58:30,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200900 40180 60.014 -32595 6577.6 -39173 -39173 -0.00024763 -0.00069528 -0.00046193 3.503e+05 2024-05-08 08:58:46,211 INFO [main.py:798]
{rank 0/64} MD step = 201000 step time: 00:00:00.142256 Performance: 65.657 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 08:58:52,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201000 40200 59.908 -32635 6566 -39201 -39201 -0.00052384 -0.00065718 5.7146e-05 3.5047e+05 2024-05-08 08:59:09,133 INFO [main.py:798]
{rank 0/64} MD step = 201100 step time: 00:00:00.158137 Performance: 65.661 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 08:59:17,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201100 40220 59.728 -32679 6546.2 -39225 -39225 -0.00057146 -0.0003524 -0.00024763 3.5067e+05 2024-05-08 08:59:33,143 INFO [main.py:798]
{rank 0/64} MD step = 201200 step time: 00:00:00.152369 Performance: 65.664 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 08:59:40,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201200 40240 60.168 -32523 6594.4 -39117 -39117 -0.00011905 -0.00038097 -1.4287e-05 3.5085e+05 2024-05-08 08:59:56,471 INFO [main.py:798]
{rank 0/64} MD step = 201300 step time: 00:00:00.156373 Performance: 65.668 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 09:00:02,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201300 40260 59.426 -32565 6513.2 -39078 -39078 -0.00020954 8.5719e-05 -0.00022858 3.5102e+05 2024-05-08 09:00:18,055 INFO [main.py:798]
{rank 0/64} MD step = 201400 step time: 00:00:00.150210 Performance: 65.673 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 09:00:34,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201400 40280 60.247 -32489 6603.2 -39092 -39092 1.9049e-05 -0.00047622 -0.00067623 3.5121e+05 2024-05-08 09:00:50,595 INFO [main.py:798]
{rank 0/64} MD step = 201500 step time: 00:00:00.171315 Performance: 65.666 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 09:01:08,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201500 40300 60.095 -32571 6586.5 -39158 -39158 -0.00034288 -0.00043812 -0.00013334 3.5137e+05 2024-05-08 09:01:24,419 INFO [main.py:798]
{rank 0/64} MD step = 201600 step time: 00:00:00.157624 Performance: 65.656 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 09:01:28,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201600 40320 60.034 -32626 6579.8 -39206 -39206 -0.00041907 -0.00024763 -0.000781 3.5154e+05 2024-05-08 09:01:45,537 INFO [main.py:798]
{rank 0/64} MD step = 201700 step time: 00:00:00.190100 Performance: 65.663 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 09:01:50,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201700 40340 59.239 -32694 6492.6 -39187 -39187 -0.00022858 -0.00041907 -0.00015239 3.5169e+05 2024-05-08 09:02:06,563 INFO [main.py:798]
{rank 0/64} MD step = 201800 step time: 00:00:00.161846 Performance: 65.669 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 09:02:12,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201800 40360 60.008 -32543 6576.9 -39120 -39120 -0.00045717 -0.00076195 -0.00022858 3.5189e+05 2024-05-08 09:02:27,999 INFO [main.py:798]
{rank 0/64} MD step = 201900 step time: 00:00:00.161019 Performance: 65.675 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 09:02:33,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201900 40380 60.338 -32489 6613.1 -39103 -39103 -0.00020954 -0.00053336 -0.00067623 3.5206e+05 2024-05-08 09:02:49,384 INFO [main.py:798]
{rank 0/64} MD step = 202000 step time: 00:00:00.148217 Performance: 65.682 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 09:02:57,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202000 40400 60.179 -32516 6595.7 -39111 -39111 -0.00051431 -0.00051431 -0.00020001 3.5222e+05 2024-05-08 09:03:11,601 INFO [main.py:798]
{rank 0/64} MD step = 202100 step time: 00:00:00.157085 Performance: 65.687 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 09:03:19,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202100 40420 59.796 -32408 6553.7 -38962 -38962 -0.00026668 -0.00049527 -0.00034288 3.5243e+05 2024-05-08 09:03:35,147 INFO [main.py:798]
{rank 0/64} MD step = 202200 step time: 00:00:00.156060 Performance: 65.690 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:03:43,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202200 40440 61.175 -32458 6704.8 -39163 -39163 -0.00014287 -0.00076195 -0.00013334 3.5259e+05 2024-05-08 09:03:59,657 INFO [main.py:798]
{rank 0/64} MD step = 202300 step time: 00:00:00.163362 Performance: 65.692 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:04:06,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202300 40460 59.791 -32596 6553.2 -39149 -39149 -0.00030954 -0.00040002 -0.00010477 3.5277e+05 2024-05-08 09:04:22,520 INFO [main.py:798]
{rank 0/64} MD step = 202400 step time: 00:00:00.168877 Performance: 65.696 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:04:27,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202400 40480 59.932 -32553 6568.6 -39122 -39122 -0.00030002 -0.000781 -0.00034288 3.5291e+05 2024-05-08 09:04:43,095 INFO [main.py:798]
{rank 0/64} MD step = 202500 step time: 00:00:00.167237 Performance: 65.704 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:04:51,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202500 40500 59.2 -32635 6488.4 -39124 -39124 -0.00020477 -1.9049e-05 -0.00019049 3.531e+05 2024-05-08 09:05:06,139 INFO [main.py:798]
{rank 0/64} MD step = 202600 step time: 00:00:00.167530 Performance: 65.708 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:05:26,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202600 40520 59.508 -32581 6522.1 -39104 -39104 -0.00030478 -0.00047622 5.7146e-05 3.5328e+05 2024-05-08 09:05:41,247 INFO [main.py:798]
{rank 0/64} MD step = 202700 step time: 00:00:00.149588 Performance: 65.697 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:05:57,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202700 40540 60.2 -32451 6598 -39049 -39049 -0.00012382 -0.00060003 -0.00049527 3.5346e+05 2024-05-08 09:06:13,174 INFO [main.py:798]
{rank 0/64} MD step = 202800 step time: 00:00:00.155608 Performance: 65.690 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 09:06:18,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202800 40560 60.012 -32552 6577.3 -39130 -39130 -0.00011429 -0.00036193 3.8097e-05 3.5364e+05 2024-05-08 09:06:35,070 INFO [main.py:798]
{rank 0/64} MD step = 202900 step time: 00:00:00.151516 Performance: 65.695 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:06:40,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202900 40580 60.478 -32521 6628.5 -39150 -39150 -0.00041907 -0.00045717 -0.00013334 3.5379e+05 2024-05-08 09:06:56,563 INFO [main.py:798]
{rank 0/64} MD step = 203000 step time: 00:00:00.164535 Performance: 65.701 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:07:03,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203000 40600 59.767 -32823 6550.5 -39373 -39373 -0.00051431 -0.00034288 -5.7146e-05 3.5392e+05 2024-05-08 09:07:19,778 INFO [main.py:798]
{rank 0/64} MD step = 203100 step time: 00:00:00.164286 Performance: 65.705 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:07:27,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203100 40620 59.45 -32626 6515.8 -39142 -39142 -0.00043812 1.9049e-05 -0.0007048 3.5415e+05 2024-05-08 09:07:43,606 INFO [main.py:798]
{rank 0/64} MD step = 203200 step time: 00:00:00.159675 Performance: 65.708 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:07:50,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203200 40640 60.014 -32708 6577.6 -39286 -39286 -0.00019049 -0.00057146 -0.00011429 3.5431e+05 2024-05-08 09:08:06,944 INFO [main.py:798]
{rank 0/64} MD step = 203300 step time: 00:00:00.159433 Performance: 65.712 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:08:13,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203300 40660 59.323 -32663 6501.8 -39164 -39164 -8.5719e-05 -0.0004286 -0.00055241 3.5449e+05 2024-05-08 09:08:29,056 INFO [main.py:798]
{rank 0/64} MD step = 203400 step time: 00:00:00.155395 Performance: 65.717 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:08:35,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203400 40680 59.745 -32596 6548.1 -39145 -39145 -0.00030478 -0.00058575 -0.00015239 3.5466e+05 2024-05-08 09:08:51,106 INFO [main.py:798]
{rank 0/64} MD step = 203500 step time: 00:00:00.158336 Performance: 65.722 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:08:57,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203500 40700 60.647 -32413 6647 -39060 -39060 -0.00049527 -0.00047622 -0.00059051 3.5487e+05 2024-05-08 09:09:13,185 INFO [main.py:798]
{rank 0/64} MD step = 203600 step time: 00:00:00.160610 Performance: 65.727 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:09:25,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203600 40720 59.59 -32650 6531.1 -39181 -39181 0.00024763 -0.00024763 9.5243e-05 3.5505e+05 2024-05-08 09:09:41,435 INFO [main.py:798]
{rank 0/64} MD step = 203700 step time: 00:00:00.165415 Performance: 65.725 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:09:58,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203700 40740 59.905 -32497 6565.7 -39063 -39063 -3.8097e-05 -0.0003905 -0.00011429 3.5521e+05 2024-05-08 09:10:14,501 INFO [main.py:798]
{rank 0/64} MD step = 203800 step time: 00:00:00.153576 Performance: 65.716 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:10:34,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203800 40760 60.629 -32402 6645 -39047 -39047 -0.00015239 -0.00019049 5.7146e-05 3.5541e+05 2024-05-08 09:10:50,036 INFO [main.py:798]
{rank 0/64} MD step = 203900 step time: 00:00:00.169993 Performance: 65.705 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 09:10:55,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203900 40780 59.531 -32585 6524.7 -39110 -39110 -0.00020954 -0.00058099 3.8097e-05 3.5559e+05 2024-05-08 09:11:11,740 INFO [main.py:798]
{rank 0/64} MD step = 204000 step time: 00:00:00.174587 Performance: 65.711 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:11:19,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204000 40800 60.417 -32462 6621.7 -39084 -39084 -0.00030478 -0.00041907 -0.0006667 3.5576e+05 2024-05-08 09:11:34,702 INFO [main.py:798]
{rank 0/64} MD step = 204100 step time: 00:00:00.159312 Performance: 65.715 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:11:41,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204100 40820 60.338 -32495 6613.1 -39108 -39108 0.00017144 -0.00034288 -0.00033335 3.5594e+05 2024-05-08 09:11:56,728 INFO [main.py:798]
{rank 0/64} MD step = 204200 step time: 00:00:00.164638 Performance: 65.720 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:12:05,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204200 40840 59.817 -32587 6556 -39143 -39143 -0.00023811 -0.00022858 -0.00056194 3.5609e+05 2024-05-08 09:12:20,916 INFO [main.py:798]
{rank 0/64} MD step = 204300 step time: 00:00:00.160578 Performance: 65.723 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:12:27,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204300 40860 59.745 -32495 6548.1 -39043 -39043 -0.00024763 -0.00060956 -0.00050955 3.563e+05 2024-05-08 09:12:43,475 INFO [main.py:798]
{rank 0/64} MD step = 204400 step time: 00:00:00.161156 Performance: 65.727 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:12:49,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204400 40880 60.855 -32409 6669.8 -39079 -39079 -3.8097e-05 -0.00034764 -0.00064766 3.5647e+05 2024-05-08 09:13:05,648 INFO [main.py:798]
{rank 0/64} MD step = 204500 step time: 00:00:00.202008 Performance: 65.732 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:13:11,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204500 40900 59.864 -32603 6561.1 -39164 -39164 -0.00034288 -0.00030478 -0.00036193 3.5665e+05 2024-05-08 09:13:27,794 INFO [main.py:798]
{rank 0/64} MD step = 204600 step time: 00:00:00.170770 Performance: 65.737 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:13:34,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204600 40920 60.773 -32537 6660.8 -39197 -39197 -0.00044764 -0.00043812 -0.00032383 3.5683e+05 2024-05-08 09:13:50,606 INFO [main.py:798]
{rank 0/64} MD step = 204700 step time: 00:00:00.164952 Performance: 65.742 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:13:59,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204700 40940 59.985 -32700 6574.5 -39274 -39274 -0.00030478 -0.00034288 -1.9049e-05 3.5698e+05 2024-05-08 09:14:16,124 INFO [main.py:798]
{rank 0/64} MD step = 204800 step time: 00:00:00.161915 Performance: 65.742 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:14:31,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204800 40960 60.382 -32545 6618 -39163 -39163 -0.00019049 -0.00045717 -0.00049527 3.5719e+05 2024-05-08 09:14:47,414 INFO [main.py:798]
{rank 0/64} MD step = 204900 step time: 00:00:00.165378 Performance: 65.736 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:15:07,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204900 40980 59.527 -32635 6524.2 -39160 -39160 -0.00045717 -0.00018096 -0.00043812 3.5738e+05 2024-05-08 09:15:23,966 INFO [main.py:798]
{rank 0/64} MD step = 205000 step time: 00:00:00.159026 Performance: 65.724 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 09:15:30,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205000 41000 59.841 -32733 6558.6 -39291 -39291 -0.00055241 -0.00041907 -0.00047622 3.5756e+05 2024-05-08 09:15:46,779 INFO [main.py:798]
{rank 0/64} MD step = 205100 step time: 00:00:00.160651 Performance: 65.728 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:15:54,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205100 41020 60.011 -32565 6577.3 -39142 -39142 -7.6195e-05 -0.0003905 -0.00055241 3.5774e+05 2024-05-08 09:16:10,575 INFO [main.py:798]
{rank 0/64} MD step = 205200 step time: 00:00:00.161070 Performance: 65.731 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:16:18,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205200 41040 60.249 -32358 6603.4 -38961 -38961 -0.00022858 -0.00053336 -0.00046669 3.5794e+05 2024-05-08 09:16:34,369 INFO [main.py:798]
{rank 0/64} MD step = 205300 step time: 00:00:00.161547 Performance: 65.734 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:16:39,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205300 41060 59.497 -32541 6520.9 -39062 -39062 -0.00038097 -0.00068575 -0.00051431 3.5807e+05 2024-05-08 09:16:56,313 INFO [main.py:798]
{rank 0/64} MD step = 205400 step time: 00:00:00.165731 Performance: 65.739 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:17:01,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205400 41080 60.515 -32597 6632.5 -39229 -39229 -8.5719e-05 -0.00037145 -5.2384e-05 3.5825e+05 2024-05-08 09:17:20,840 INFO [main.py:798]
{rank 0/64} MD step = 205500 step time: 00:00:00.150570 Performance: 65.742 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:17:26,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205500 41100 59.919 -32582 6567.2 -39149 -39149 -0.00023811 -0.00042383 -0.00072385 3.5841e+05 2024-05-08 09:17:42,765 INFO [main.py:798]
{rank 0/64} MD step = 205600 step time: 00:00:00.156113 Performance: 65.747 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:17:50,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205600 41120 60.91 -32438 6675.8 -39114 -39114 -0.00038097 -0.00045717 -0.00026668 3.5861e+05 2024-05-08 09:18:06,320 INFO [main.py:798]
{rank 0/64} MD step = 205700 step time: 00:00:00.159479 Performance: 65.750 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:18:12,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205700 41140 59.364 -32770 6506.3 -39276 -39276 -0.00040955 -0.00030002 -0.0007048 3.5873e+05 2024-05-08 09:18:28,303 INFO [main.py:798]
{rank 0/64} MD step = 205800 step time: 00:00:00.157514 Performance: 65.755 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:18:34,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205800 41160 60.647 -32341 6647 -38988 -38988 -0.0003143 -0.00060956 -0.00064766 3.5899e+05 2024-05-08 09:18:54,327 INFO [main.py:798]
{rank 0/64} MD step = 205900 step time: 00:00:00.159629 Performance: 65.756 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:19:12,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205900 41180 59.813 -32535 6555.6 -39091 -39091 -0.00023811 -0.00057146 -0.00038097 3.5912e+05 2024-05-08 09:19:28,522 INFO [main.py:798]
{rank 0/64} MD step = 206000 step time: 00:00:00.158584 Performance: 65.746 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:19:45,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206000 41200 59.446 -32616 6515.3 -39132 -39132 -0.00015715 -0.00053336 -0.00020001 3.593e+05 2024-05-08 09:20:01,677 INFO [main.py:798]
{rank 0/64} MD step = 206100 step time: 00:00:00.165775 Performance: 65.738 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 09:20:08,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206100 41220 59.568 -32649 6528.8 -39178 -39178 -0.00020001 -0.00049527 -1.9049e-05 3.5948e+05 2024-05-08 09:20:24,404 INFO [main.py:798]
{rank 0/64} MD step = 206200 step time: 00:00:00.152056 Performance: 65.742 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:20:30,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206200 41240 60.58 -32464 6639.6 -39104 -39104 -0.00049527 -0.00027144 -0.00041907 3.5964e+05 2024-05-08 09:20:46,373 INFO [main.py:798]
{rank 0/64} MD step = 206300 step time: 00:00:00.136537 Performance: 65.747 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:20:59,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206300 41260 60.115 -32525 6588.6 -39114 -39114 -0.00054289 -0.00051431 -0.00064766 3.5981e+05 2024-05-08 09:21:15,752 INFO [main.py:798]
{rank 0/64} MD step = 206400 step time: 00:00:00.151596 Performance: 65.744 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:21:21,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206400 41280 59.337 -32543 6503.4 -39047 -39047 -0.00022858 -0.00034288 9.5243e-06 3.6e+05 2024-05-08 09:21:38,260 INFO [main.py:798]
{rank 0/64} MD step = 206500 step time: 00:00:00.146504 Performance: 65.748 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:21:44,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206500 41300 59.643 -32661 6537 -39198 -39198 -0.0003524 -0.00019049 -0.00014287 3.6015e+05 2024-05-08 09:22:00,486 INFO [main.py:798]
{rank 0/64} MD step = 206600 step time: 00:00:00.148880 Performance: 65.753 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:22:04,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206600 41320 59.592 -32689 6531.4 -39220 -39220 -0.00040002 -0.00018096 -0.00053336 3.6033e+05 2024-05-08 09:22:22,855 INFO [main.py:798]
{rank 0/64} MD step = 206700 step time: 00:00:00.160553 Performance: 65.758 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 09:22:29,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206700 41340 60.073 -32664 6584.1 -39248 -39248 -0.00015239 -9.5243e-06 -0.0006667 3.6049e+05 2024-05-08 09:22:45,874 INFO [main.py:798]
{rank 0/64} MD step = 206800 step time: 00:00:00.155690 Performance: 65.762 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 09:22:51,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206800 41360 60.459 -32492 6626.4 -39118 -39118 -0.00043812 -0.00057146 4.7622e-06 3.6069e+05 2024-05-08 09:23:07,616 INFO [main.py:798]
{rank 0/64} MD step = 206900 step time: 00:00:00.147044 Performance: 65.767 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 09:25:13,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206900 41380 59.186 -32604 6486.8 -39091 -39091 -0.00049527 -0.00036193 -0.00040002 3.609e+05 2024-05-08 09:25:29,092 INFO [main.py:798]
{rank 0/64} MD step = 207000 step time: 00:00:00.149551 Performance: 65.628 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 09:26:49,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207000 41400 59.697 -32676 6542.8 -39219 -39219 -0.00053813 -0.0003905 -0.00064766 3.6106e+05 2024-05-08 09:27:04,504 INFO [main.py:798]
{rank 0/64} MD step = 207100 step time: 00:00:00.155432 Performance: 65.545 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 09:27:53,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207100 41420 59.356 -32621 6505.5 -39127 -39127 -0.00032383 -0.00036193 -0.00011429 3.612e+05 2024-05-08 09:28:33,429 INFO [main.py:798]
{rank 0/64} MD step = 207200 step time: 00:00:00.155645 Performance: 65.470 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 09:30:07,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207200 41440 61 -32326 6685.6 -39012 -39012 -0.0003524 -0.00042383 -9.5243e-05 3.614e+05 2024-05-08 09:30:24,976 INFO [main.py:798]
{rank 0/64} MD step = 207300 step time: 00:00:00.167108 Performance: 65.368 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 09:31:55,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207300 41460 59.792 -32791 6553.3 -39345 -39345 -0.00020001 -0.00038335 -0.000781 3.615e+05 2024-05-08 09:32:20,056 INFO [main.py:798]
{rank 0/64} MD step = 207400 step time: 00:00:00.144868 Performance: 65.263 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 09:33:10,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207400 41480 60.306 -32693 6609.6 -39302 -39302 -0.00036193 -0.00053336 -3.8097e-05 3.617e+05 2024-05-08 09:33:25,265 INFO [main.py:798]
{rank 0/64} MD step = 207500 step time: 00:00:00.149974 Performance: 65.217 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 09:34:39,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207500 41500 60.799 -32493 6663.7 -39157 -39157 -0.00024763 -0.00055241 -0.00026192 3.6187e+05 2024-05-08 09:34:55,330 INFO [main.py:798]
{rank 0/64} MD step = 207600 step time: 00:00:00.140819 Performance: 65.142 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 09:35:13,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207600 41520 59.184 -32615 6486.6 -39102 -39102 -0.00027621 -0.00041907 -8.0957e-05 3.6204e+05 2024-05-08 09:35:29,327 INFO [main.py:798]
{rank 0/64} MD step = 207700 step time: 00:00:00.150312 Performance: 65.133 ns/day 0.368 hours/ns 3.769 steps/s 2024-05-08 09:35:48,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207700 41540 59.48 -32613 6519.1 -39132 -39132 -0.0003524 -0.00050955 -6.667e-05 3.622e+05 2024-05-08 09:36:15,943 INFO [main.py:798]
{rank 0/64} MD step = 207800 step time: 00:00:00.152337 Performance: 65.109 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 09:36:49,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207800 41560 60.032 -32589 6579.6 -39169 -39169 -0.00038097 -0.00051431 -0.00015239 3.624e+05 2024-05-08 09:37:07,954 INFO [main.py:798]
{rank 0/64} MD step = 207900 step time: 00:00:00.151353 Performance: 65.079 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 09:37:41,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207900 41580 61.005 -32279 6686.3 -38965 -38965 -0.00032383 -0.00036193 -0.00072385 3.6262e+05 2024-05-08 09:37:57,228 INFO [main.py:798]
{rank 0/64} MD step = 208000 step time: 00:00:00.141847 Performance: 65.052 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 09:38:42,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208000 41600 60.63 -32550 6645.1 -39196 -39196 -0.00036193 -0.00027621 5.7146e-05 3.6274e+05 2024-05-08 09:38:57,969 INFO [main.py:798]
{rank 0/64} MD step = 208100 step time: 00:00:00.169784 Performance: 65.012 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 09:39:25,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208100 41620 60.808 -32573 6664.7 -39238 -39238 -0.00010477 -0.00033335 -0.00064766 3.6293e+05 2024-05-08 09:39:41,542 INFO [main.py:798]
{rank 0/64} MD step = 208200 step time: 00:00:00.158376 Performance: 64.992 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 09:40:41,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208200 41640 60.378 -32497 6617.5 -39114 -39114 -0.00041907 -0.0004286 -0.00017144 3.631e+05 2024-05-08 09:40:57,352 INFO [main.py:798]
{rank 0/64} MD step = 208300 step time: 00:00:00.160025 Performance: 64.934 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 09:41:38,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208300 41660 59.989 -32755 6574.9 -39330 -39330 0.00012382 -0.0004286 -0.00068575 3.6327e+05 2024-05-08 09:42:17,973 INFO [main.py:798]
{rank 0/64} MD step = 208400 step time: 00:00:00.147446 Performance: 64.871 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 09:43:22,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208400 41680 59.588 -32645 6530.9 -39176 -39176 -0.00045717 -0.00056194 -0.00068575 3.6346e+05 2024-05-08 09:43:37,791 INFO [main.py:798]
{rank 0/64} MD step = 208500 step time: 00:00:00.154569 Performance: 64.809 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 09:44:12,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208500 41700 60.744 -32514 6657.6 -39171 -39171 -0.00034288 -6.667e-05 -0.00011429 3.636e+05 2024-05-08 09:44:28,933 INFO [main.py:798]
{rank 0/64} MD step = 208600 step time: 00:00:00.145199 Performance: 64.781 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 09:45:22,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208600 41720 59.853 -32750 6560 -39310 -39310 -0.00045717 -0.00037145 -0.00030478 3.6374e+05 2024-05-08 09:45:37,254 INFO [main.py:798]
{rank 0/64} MD step = 208700 step time: 00:00:00.164012 Performance: 64.732 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 09:46:11,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208700 41740 59.154 -32741 6483.3 -39224 -39224 -0.0003524 -0.00050479 -0.00060956 3.6392e+05 2024-05-08 09:46:26,748 INFO [main.py:798]
{rank 0/64} MD step = 208800 step time: 00:00:00.150297 Performance: 64.706 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 09:47:11,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208800 41760 60.087 -32568 6585.6 -39153 -39153 -0.00038097 -5.7146e-05 -0.00058099 3.641e+05 2024-05-08 09:47:27,456 INFO [main.py:798]
{rank 0/64} MD step = 208900 step time: 00:00:00.152872 Performance: 64.666 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 09:47:57,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208900 41780 59.933 -32619 6568.8 -39188 -39188 -0.00045241 -0.00028573 -0.00028573 3.6426e+05 2024-05-08 09:48:13,518 INFO [main.py:798]
{rank 0/64} MD step = 209000 step time: 00:00:00.152872 Performance: 64.644 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 09:49:34,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209000 41800 59.326 -32630 6502.2 -39132 -39132 -0.00013334 -0.00019049 9.5243e-05 3.6446e+05 2024-05-08 09:50:00,613 INFO [main.py:798]
{rank 0/64} MD step = 209100 step time: 00:00:00.151300 Performance: 64.551 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 09:51:18,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209100 41820 61.087 -32527 6695.2 -39223 -39223 0 -0.00051431 -0.00082862 3.6462e+05 2024-05-08 09:51:34,869 INFO [main.py:798]
{rank 0/64} MD step = 209200 step time: 00:00:00.162405 Performance: 64.474 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 09:53:32,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209200 41840 60.361 -32491 6615.6 -39107 -39107 -0.00031907 -0.00030478 -0.00071671 3.648e+05 2024-05-08 09:53:50,011 INFO [main.py:798]
{rank 0/64} MD step = 209300 step time: 00:00:00.153350 Performance: 64.349 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 09:57:10,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209300 41860 59.864 -32509 6561.2 -39070 -39070 -0.00024763 -0.00011429 -0.00073814 3.6501e+05 2024-05-08 09:57:25,939 INFO [main.py:798]
{rank 0/64} MD step = 209400 step time: 00:00:00.156793 Performance: 64.134 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 10:00:08,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209400 41880 59.705 -32636 6543.7 -39180 -39180 -0.00034288 -0.00028573 -0.00047384 3.6513e+05 2024-05-08 10:01:04,181 INFO [main.py:798]
{rank 0/64} MD step = 209500 step time: 00:00:00.144170 Performance: 63.917 ns/day 0.375 hours/ns 3.699 steps/s 2024-05-08 10:02:35,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209500 41900 59.797 -32554 6553.9 -39108 -39108 -0.00041907 -0.00051908 -0.00050955 3.6529e+05 2024-05-08 10:03:14,782 INFO [main.py:798]
{rank 0/64} MD step = 209600 step time: 00:00:00.164959 Performance: 63.800 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 10:06:07,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209600 41920 59.899 -32515 6565 -39080 -39080 -1.9049e-05 -0.00038097 -0.00059051 3.6547e+05 2024-05-08 10:06:22,167 INFO [main.py:798]
{rank 0/64} MD step = 209700 step time: 00:00:00.151619 Performance: 63.621 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 10:08:19,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209700 41940 60.424 -32575 6622.6 -39197 -39197 0.00015239 -0.00043812 -0.00064766 3.656e+05 2024-05-08 10:09:28,414 INFO [main.py:798]
{rank 0/64} MD step = 209800 step time: 00:00:00.150458 Performance: 63.444 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 10:10:54,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209800 41960 61.219 -32499 6709.6 -39209 -39209 -0.0003143 -0.00049527 -0.0006667 3.6579e+05 2024-05-08 10:11:11,401 INFO [main.py:798]
{rank 0/64} MD step = 209900 step time: 00:00:00.151200 Performance: 63.360 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 10:12:25,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209900 41980 60.427 -32574 6622.9 -39196 -39196 -0.00010953 -0.00051431 -0.0007429 3.6594e+05 2024-05-08 10:12:57,488 INFO [main.py:798]
{rank 0/64} MD step = 210000 step time: 00:00:00.150453 Performance: 63.273 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 10:14:09,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210000 42000 59.537 -32718 6525.3 -39243 -39243 0.0003905 -0.00062861 -0.00063813 3.6612e+05 2024-05-08 10:14:26,378 INFO [main.py:798]
{rank 0/64} MD step = 210100 step time: 00:00:00.157288 Performance: 63.205 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 10:16:00,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210100 42020 60.619 -32444 6643.9 -39088 -39088 -0.00055241 -0.00026668 -0.00014287 3.6634e+05 2024-05-08 10:16:16,754 INFO [main.py:798]
{rank 0/64} MD step = 210200 step time: 00:00:00.159963 Performance: 63.114 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 10:17:30,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210200 42040 59.948 -32734 6570.4 -39304 -39304 -0.00020954 -0.00036193 -0.00060956 3.6644e+05 2024-05-08 10:17:46,997 INFO [main.py:798]
{rank 0/64} MD step = 210300 step time: 00:00:00.157386 Performance: 63.045 ns/day 0.381 hours/ns 3.648 steps/s 2024-05-08 10:19:38,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210300 42060 60.74 -32521 6657.1 -39178 -39178 7.6195e-05 -0.00032383 -3.8097e-05 3.6659e+05 2024-05-08 10:19:54,194 INFO [main.py:798]
{rank 0/64} MD step = 210400 step time: 00:00:00.151998 Performance: 62.936 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 10:21:40,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210400 42080 59.034 -32786 6470.2 -39256 -39256 0.00015239 -0.00051431 -0.00076195 3.6676e+05 2024-05-08 10:22:04,968 INFO [main.py:798]
{rank 0/64} MD step = 210500 step time: 00:00:00.142474 Performance: 62.824 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 10:23:39,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210500 42100 60.605 -32448 6642.4 -39091 -39091 -0.00027144 -0.00036193 -0.0007429 3.6695e+05 2024-05-08 10:23:55,109 INFO [main.py:798]
{rank 0/64} MD step = 210600 step time: 00:00:00.141075 Performance: 62.734 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 10:24:59,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210600 42120 59.386 -32515 6508.8 -39024 -39024 -0.00034288 -0.00045717 -7.6195e-05 3.6715e+05 2024-05-08 10:25:54,787 INFO [main.py:798]
{rank 0/64} MD step = 210700 step time: 00:00:00.145075 Performance: 62.635 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 10:27:03,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210700 42140 59.266 -32594 6495.6 -39089 -39089 -0.00040002 -0.0004905 3.8097e-05 3.6731e+05 2024-05-08 10:27:19,148 INFO [main.py:798]
{rank 0/64} MD step = 210800 step time: 00:00:00.154863 Performance: 62.574 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 10:27:52,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210800 42160 60.513 -32658 6632.3 -39290 -39290 -0.00022858 -0.00041907 -0.00064766 3.6744e+05 2024-05-08 10:29:09,709 INFO [main.py:798]
{rank 0/64} MD step = 210900 step time: 00:00:00.163544 Performance: 62.485 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 10:30:53,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210900 42180 60.14 -32597 6591.4 -39189 -39189 -0.00030478 -0.00030478 -0.00053336 3.6763e+05 2024-05-08 10:31:09,598 INFO [main.py:798]
{rank 0/64} MD step = 211000 step time: 00:00:00.152807 Performance: 62.386 ns/day 0.385 hours/ns 3.610 steps/s 2024-05-08 10:33:29,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211000 42200 59.599 -32567 6532.1 -39099 -39099 -0.00016191 -0.00041907 -0.00046669 3.6781e+05 2024-05-08 10:33:51,873 INFO [main.py:798]
{rank 0/64} MD step = 211100 step time: 00:00:00.163490 Performance: 62.243 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 10:34:58,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211100 42220 59.59 -32522 6531.1 -39053 -39053 -1.9049e-05 -0.00065242 -0.00060956 3.6799e+05 2024-05-08 10:35:51,416 INFO [main.py:798]
{rank 0/64} MD step = 211200 step time: 00:00:00.150041 Performance: 62.145 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:37:29,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211200 42240 60 -32605 6576.1 -39181 -39181 -0.00030478 -0.00062861 -0.00072385 3.6814e+05 2024-05-08 10:37:43,735 INFO [main.py:798]
{rank 0/64} MD step = 211300 step time: 00:00:00.153837 Performance: 62.056 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 10:38:42,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211300 42260 59.606 -32539 6532.9 -39072 -39072 -0.0003143 -0.00030478 -0.00036193 3.6832e+05 2024-05-08 10:38:58,196 INFO [main.py:798]
{rank 0/64} MD step = 211400 step time: 00:00:00.149351 Performance: 62.007 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 10:39:27,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211400 42280 59.493 -32758 6520.5 -39279 -39279 -0.0001762 -0.00022382 -0.00040002 3.6848e+05 2024-05-08 10:39:43,734 INFO [main.py:798]
{rank 0/64} MD step = 211500 step time: 00:00:00.155345 Performance: 61.989 ns/day 0.387 hours/ns 3.587 steps/s 2024-05-08 10:39:56,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211500 42300 60.133 -32609 6590.6 -39199 -39199 -0.00041907 -0.00038097 4.7622e-05 3.6867e+05 2024-05-08 10:40:16,718 INFO [main.py:798]
{rank 0/64} MD step = 211600 step time: 00:00:00.139057 Performance: 61.983 ns/day 0.387 hours/ns 3.587 steps/s 2024-05-08 10:40:24,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211600 42320 59.334 -32596 6503.1 -39099 -39099 -0.00045717 -0.00044764 -0.00063813 3.6885e+05 2024-05-08 10:40:40,237 INFO [main.py:798]
{rank 0/64} MD step = 211700 step time: 00:00:00.144019 Performance: 61.988 ns/day 0.387 hours/ns 3.587 steps/s 2024-05-08 10:40:45,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211700 42340 60.123 -32375 6589.5 -38964 -38964 -0.00022858 -0.00053336 -9.5243e-05 3.6904e+05 2024-05-08 10:41:01,426 INFO [main.py:798]
{rank 0/64} MD step = 211800 step time: 00:00:00.151192 Performance: 61.995 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 10:41:07,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211800 42360 60.342 -32635 6613.5 -39249 -39249 -0.00028573 -0.0004286 -0.00056194 3.6916e+05 2024-05-08 10:41:23,469 INFO [main.py:798]
{rank 0/64} MD step = 211900 step time: 00:00:00.147222 Performance: 62.001 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 10:41:29,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211900 42380 59.831 -32618 6557.5 -39176 -39176 -0.00041907 -0.00045717 -0.00057146 3.6931e+05 2024-05-08 10:41:45,217 INFO [main.py:798]
{rank 0/64} MD step = 212000 step time: 00:00:00.150525 Performance: 62.007 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 10:41:50,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212000 42400 60.187 -32636 6596.5 -39232 -39232 -1.9049e-05 -0.00030478 -0.00048574 3.695e+05 2024-05-08 10:42:06,060 INFO [main.py:798]
{rank 0/64} MD step = 212100 step time: 00:00:00.143216 Performance: 62.015 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 10:42:12,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212100 42420 59.781 -32723 6552 -39275 -39275 -0.00027382 -0.0003905 -0.00065718 3.6965e+05 2024-05-08 10:42:28,261 INFO [main.py:798]
{rank 0/64} MD step = 212200 step time: 00:00:00.148130 Performance: 62.021 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 10:42:37,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212200 42440 59.675 -32685 6540.5 -39225 -39225 -0.00037145 -0.00054289 -0.00058099 3.6982e+05 2024-05-08 10:42:52,430 INFO [main.py:798]
{rank 0/64} MD step = 212300 step time: 00:00:00.137980 Performance: 62.024 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 10:43:05,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212300 42460 60.494 -32458 6630.2 -39088 -39088 0.00023811 -0.00045717 -0.00040002 3.7e+05 2024-05-08 10:43:20,775 INFO [main.py:798]
{rank 0/64} MD step = 212400 step time: 00:00:00.153080 Performance: 62.024 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 10:43:25,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212400 42480 60.541 -32508 6635.4 -39143 -39143 0.00019049 -0.00052384 0 3.7018e+05 2024-05-08 10:43:41,543 INFO [main.py:798]
{rank 0/64} MD step = 212500 step time: 00:00:00.155106 Performance: 62.031 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 10:43:45,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212500 42500 59.987 -32559 6574.7 -39134 -39134 -0.00024287 -0.00059051 -0.00053336 3.7034e+05 2024-05-08 10:44:03,183 INFO [main.py:798]
{rank 0/64} MD step = 212600 step time: 00:00:00.165148 Performance: 62.038 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 10:44:08,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212600 42520 59.612 -32778 6533.5 -39312 -39312 -0.00028573 -0.00053336 -0.00045717 3.7048e+05 2024-05-08 10:44:24,132 INFO [main.py:798]
{rank 0/64} MD step = 212700 step time: 00:00:00.156344 Performance: 62.045 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 10:44:32,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212700 42540 59.783 -32635 6552.3 -39188 -39188 -0.00022858 -0.00026668 -6.1908e-05 3.7065e+05 2024-05-08 10:44:48,678 INFO [main.py:798]
{rank 0/64} MD step = 212800 step time: 00:00:00.165887 Performance: 62.049 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 10:44:53,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212800 42560 59.609 -32760 6533.2 -39294 -39294 -0.00026668 -0.00049527 -0.00038097 3.7079e+05 2024-05-08 10:45:16,473 INFO [main.py:798]
{rank 0/64} MD step = 212900 step time: 00:00:00.164877 Performance: 62.049 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 10:45:22,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212900 42580 60.185 -32633 6596.3 -39229 -39229 -0.00024763 -0.00034288 -0.00043336 3.7097e+05 2024-05-08 10:45:37,915 INFO [main.py:798]
{rank 0/64} MD step = 213000 step time: 00:00:00.156980 Performance: 62.055 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 10:45:43,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213000 42600 60.617 -32510 6643.7 -39154 -39154 -0.00020954 -0.00036193 -0.00038097 3.7115e+05 2024-05-08 10:45:59,377 INFO [main.py:798]
{rank 0/64} MD step = 213100 step time: 00:00:00.158233 Performance: 62.062 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 10:46:08,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213100 42620 59.575 -32627 6529.5 -39157 -39157 -0.00043812 -0.00048574 -0.00062861 3.7132e+05 2024-05-08 10:46:24,379 INFO [main.py:798]
{rank 0/64} MD step = 213200 step time: 00:00:00.162590 Performance: 62.065 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 10:46:30,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213200 42640 59.606 -32698 6532.9 -39230 -39230 -0.00030478 -0.00070956 -0.00044288 3.7151e+05 2024-05-08 10:46:46,585 INFO [main.py:798]
{rank 0/64} MD step = 213300 step time: 00:00:00.160431 Performance: 62.071 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 10:46:52,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213300 42660 60.432 -32480 6623.4 -39103 -39103 -0.00038574 -0.00053336 -0.00072385 3.7169e+05 2024-05-08 10:47:08,632 INFO [main.py:798]
{rank 0/64} MD step = 213400 step time: 00:00:00.170238 Performance: 62.077 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 10:47:15,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213400 42680 60.092 -32576 6586.1 -39163 -39163 -0.00046669 -0.0003905 -0.00063337 3.7186e+05 2024-05-08 10:47:30,843 INFO [main.py:798]
{rank 0/64} MD step = 213500 step time: 00:00:00.154129 Performance: 62.083 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 10:47:37,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213500 42700 59.826 -32524 6557 -39081 -39081 -0.00029525 -0.00051431 -0.00064766 3.7205e+05 2024-05-08 10:47:52,724 INFO [main.py:798]
{rank 0/64} MD step = 213600 step time: 00:00:00.154821 Performance: 62.089 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 10:47:58,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213600 42720 59.805 -32541 6554.7 -39096 -39096 -0.00013334 -0.00060718 -0.00062861 3.7222e+05 2024-05-08 10:48:14,122 INFO [main.py:798]
{rank 0/64} MD step = 213700 step time: 00:00:00.157554 Performance: 62.096 ns/day 0.386 hours/ns 3.594 steps/s 2024-05-08 10:48:19,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213700 42740 60.173 -32610 6595 -39205 -39205 -0.00053336 -0.00033811 0.00010477 3.7238e+05 2024-05-08 10:48:35,964 INFO [main.py:798]
{rank 0/64} MD step = 213800 step time: 00:00:00.158003 Performance: 62.102 ns/day 0.386 hours/ns 3.594 steps/s 2024-05-08 10:48:41,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213800 42760 60.123 -32569 6589.5 -39158 -39158 -0.00028811 -0.00034288 0.00015239 3.7255e+05 2024-05-08 10:48:57,230 INFO [main.py:798]
{rank 0/64} MD step = 213900 step time: 00:00:00.157135 Performance: 62.109 ns/day 0.386 hours/ns 3.594 steps/s 2024-05-08 10:49:03,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213900 42780 60.359 -32448 6615.4 -39063 -39063 -0.00021906 -0.00041193 -0.00024763 3.7273e+05 2024-05-08 10:49:18,979 INFO [main.py:798]
{rank 0/64} MD step = 214000 step time: 00:00:00.158539 Performance: 62.115 ns/day 0.386 hours/ns 3.595 steps/s 2024-05-08 10:49:26,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214000 42800 59.448 -32637 6515.6 -39153 -39153 -0.00014287 -0.00029525 7.6195e-05 3.7288e+05 2024-05-08 10:49:42,859 INFO [main.py:798]
{rank 0/64} MD step = 214100 step time: 00:00:00.158070 Performance: 62.119 ns/day 0.386 hours/ns 3.595 steps/s 2024-05-08 10:49:49,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214100 42820 59.994 -32579 6575.4 -39154 -39154 -0.00040955 -0.00038097 -0.00055241 3.7309e+05 2024-05-08 10:50:05,174 INFO [main.py:798]
{rank 0/64} MD step = 214200 step time: 00:00:00.164774 Performance: 62.125 ns/day 0.386 hours/ns 3.595 steps/s 2024-05-08 10:50:11,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214200 42840 60.098 -32670 6586.8 -39257 -39257 0.00022858 -0.00045717 0.00011429 3.7326e+05 2024-05-08 10:50:27,054 INFO [main.py:798]
{rank 0/64} MD step = 214300 step time: 00:00:00.162042 Performance: 62.131 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:50:36,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214300 42860 60.013 -32599 6577.5 -39177 -39177 -0.00023811 -0.0003143 -0.00045717 3.7345e+05 2024-05-08 10:50:53,145 INFO [main.py:798]
{rank 0/64} MD step = 214400 step time: 00:00:00.163509 Performance: 62.133 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:50:58,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214400 42880 59.768 -32655 6550.7 -39206 -39206 -0.00032383 -0.00051431 -0.0006667 3.7362e+05 2024-05-08 10:51:14,748 INFO [main.py:798]
{rank 0/64} MD step = 214500 step time: 00:00:00.166895 Performance: 62.139 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:51:19,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214500 42900 59.448 -32528 6515.6 -39044 -39044 -0.00023811 -0.00037145 -0.00060003 3.7384e+05 2024-05-08 10:51:35,956 INFO [main.py:798]
{rank 0/64} MD step = 214600 step time: 00:00:00.173060 Performance: 62.146 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:51:40,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214600 42920 60.411 -32500 6621.1 -39121 -39121 -0.00026668 -0.00032383 -0.00020954 3.7399e+05 2024-05-08 10:51:56,593 INFO [main.py:798]
{rank 0/64} MD step = 214700 step time: 00:00:00.150796 Performance: 62.154 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 10:52:01,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214700 42940 59.984 -32643 6574.3 -39217 -39217 -0.00016191 -0.00076195 -0.00045717 3.7413e+05 2024-05-08 10:52:18,559 INFO [main.py:798]
{rank 0/64} MD step = 214800 step time: 00:00:00.157539 Performance: 62.160 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 10:52:26,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214800 42960 60.764 -32592 6659.9 -39252 -39252 0.00021906 -0.00049527 -0.00046669 3.7432e+05 2024-05-08 10:52:42,160 INFO [main.py:798]
{rank 0/64} MD step = 214900 step time: 00:00:00.164069 Performance: 62.164 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 10:52:52,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214900 42980 59.533 -32638 6524.9 -39163 -39163 0.00026668 -0.00030478 -0.00020001 3.7448e+05 2024-05-08 10:53:14,160 INFO [main.py:798]
{rank 0/64} MD step = 215000 step time: 00:00:00.163768 Performance: 62.160 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 10:53:19,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215000 43000 59.995 -32689 6575.5 -39264 -39264 -0.00033811 -0.00049527 -0.00044764 3.7465e+05 2024-05-08 10:53:34,720 INFO [main.py:798]
{rank 0/64} MD step = 215100 step time: 00:00:00.163520 Performance: 62.167 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 10:53:39,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215100 43020 59.697 -32638 6542.9 -39181 -39181 -0.00034288 -0.00038097 -0.00064766 3.7486e+05 2024-05-08 10:53:57,153 INFO [main.py:798]
{rank 0/64} MD step = 215200 step time: 00:00:00.152606 Performance: 62.173 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 10:54:02,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215200 43040 60.302 -32344 6609.1 -38953 -38953 -0.00022858 -0.00057146 -0.00054289 3.7505e+05 2024-05-08 10:54:19,573 INFO [main.py:798]
{rank 0/64} MD step = 215300 step time: 00:00:00.168110 Performance: 62.179 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 10:54:27,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215300 43060 59.836 -32707 6558.1 -39265 -39265 1.9049e-05 -0.00051431 -0.00062861 3.7521e+05 2024-05-08 10:54:43,293 INFO [main.py:798]
{rank 0/64} MD step = 215400 step time: 00:00:00.157978 Performance: 62.183 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 10:54:48,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215400 43080 59.858 -32563 6560.5 -39124 -39124 -0.00024763 -0.00034288 -0.0004286 3.7538e+05 2024-05-08 10:55:03,871 INFO [main.py:798]
{rank 0/64} MD step = 215500 step time: 00:00:00.159785 Performance: 62.190 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 10:55:20,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215500 43100 60.187 -32487 6596.5 -39084 -39084 -0.00030478 -0.00023811 -0.00024287 3.7554e+05 2024-05-08 10:55:41,108 INFO [main.py:798]
{rank 0/64} MD step = 215600 step time: 00:00:00.160514 Performance: 62.180 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 10:56:16,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215600 43120 60.526 -32622 6633.7 -39256 -39256 -0.0003905 -0.00013334 -0.00034288 3.7569e+05 2024-05-08 10:56:50,353 INFO [main.py:798]
{rank 0/64} MD step = 215700 step time: 00:00:00.161495 Performance: 62.138 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:56:59,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215700 43140 59.67 -32701 6539.9 -39241 -39241 0.00024763 -0.00013334 -0.00045717 3.7588e+05 2024-05-08 10:57:15,581 INFO [main.py:798]
{rank 0/64} MD step = 215800 step time: 00:00:00.196391 Performance: 62.140 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:57:20,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215800 43160 60.665 -32415 6649 -39064 -39064 -0.00030478 -0.00022858 -0.00076195 3.761e+05 2024-05-08 10:57:37,128 INFO [main.py:798]
{rank 0/64} MD step = 215900 step time: 00:00:00.160519 Performance: 62.147 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:57:55,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215900 43180 60.104 -32495 6587.4 -39083 -39083 -0.00048574 -0.00040002 -0.00036193 3.7628e+05 2024-05-08 10:58:11,407 INFO [main.py:798]
{rank 0/64} MD step = 216000 step time: 00:00:00.167257 Performance: 62.140 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:58:17,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216000 43200 60.361 -32554 6615.6 -39170 -39170 -0.00030478 -0.00027621 -0.00068575 3.7642e+05 2024-05-08 10:58:34,066 INFO [main.py:798]
{rank 0/64} MD step = 216100 step time: 00:00:00.157893 Performance: 62.145 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 10:58:40,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216100 43220 60.214 -32540 6599.5 -39140 -39140 -0.00026668 -0.00045717 -0.00057146 3.766e+05 2024-05-08 10:58:56,277 INFO [main.py:798]
{rank 0/64} MD step = 216200 step time: 00:00:00.156196 Performance: 62.151 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 10:59:01,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216200 43240 59.936 -32535 6569 -39104 -39104 -0.00057146 -0.00040002 -0.00049527 3.7678e+05 2024-05-08 10:59:16,915 INFO [main.py:798]
{rank 0/64} MD step = 216300 step time: 00:00:00.158262 Performance: 62.158 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 10:59:21,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216300 43260 60.705 -32415 6653.4 -39068 -39068 -0.00053336 -0.00038097 -0.00029525 3.7695e+05 2024-05-08 10:59:39,022 INFO [main.py:798]
{rank 0/64} MD step = 216400 step time: 00:00:00.165961 Performance: 62.164 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 10:59:44,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216400 43280 60.245 -32328 6602.9 -38931 -38931 -0.0003905 -0.00049527 -0.00032383 3.7714e+05 2024-05-08 11:00:00,360 INFO [main.py:798]
{rank 0/64} MD step = 216500 step time: 00:00:00.158630 Performance: 62.171 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 11:00:06,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216500 43300 60.717 -32407 6654.7 -39062 -39062 -3.3335e-05 -0.00028573 -0.0007048 3.773e+05 2024-05-08 11:00:21,883 INFO [main.py:798]
{rank 0/64} MD step = 216600 step time: 00:00:00.156473 Performance: 62.178 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 11:00:32,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216600 43320 59.8 -32533 6554.1 -39087 -39087 -0.00028573 -0.00011905 -7.6195e-05 3.7749e+05 2024-05-08 11:00:48,327 INFO [main.py:798]
{rank 0/64} MD step = 216700 step time: 00:00:00.159620 Performance: 62.179 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 11:00:54,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216700 43340 59.467 -32761 6517.6 -39278 -39278 -0.00045717 -0.00041907 -0.00044764 3.7763e+05 2024-05-08 11:01:10,372 INFO [main.py:798]
{rank 0/64} MD step = 216800 step time: 00:00:00.158105 Performance: 62.185 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 11:01:16,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216800 43360 60.267 -32449 6605.3 -39054 -39054 -0.00027144 -0.00053336 -0.00060003 3.7788e+05 2024-05-08 11:01:32,027 INFO [main.py:798]
{rank 0/64} MD step = 216900 step time: 00:00:00.164687 Performance: 62.191 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 11:01:42,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216900 43380 60.218 -32506 6599.9 -39106 -39106 -0.00026668 -0.00033335 -0.00068099 3.7802e+05 2024-05-08 11:01:58,620 INFO [main.py:798]
{rank 0/64} MD step = 217000 step time: 00:00:00.172051 Performance: 62.192 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 11:02:04,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217000 43400 60.375 -32540 6617.2 -39157 -39157 -0.00038097 -0.00040955 -0.00062861 3.782e+05 2024-05-08 11:02:24,039 INFO [main.py:798]
{rank 0/64} MD step = 217100 step time: 00:00:00.159924 Performance: 62.195 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 11:02:30,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217100 43420 59.716 -32696 6545 -39241 -39241 -0.00029525 -0.00023811 -0.00030002 3.7838e+05 2024-05-08 11:02:46,382 INFO [main.py:798]
{rank 0/64} MD step = 217200 step time: 00:00:00.160258 Performance: 62.200 ns/day 0.386 hours/ns 3.600 steps/s 2024-05-08 11:02:53,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217200 43440 60.691 -32602 6651.8 -39253 -39253 -0.00032383 -0.00029525 -0.00017144 3.7854e+05 2024-05-08 11:03:09,069 INFO [main.py:798]
{rank 0/64} MD step = 217300 step time: 00:00:00.166901 Performance: 62.206 ns/day 0.386 hours/ns 3.600 steps/s 2024-05-08 11:03:15,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217300 43460 59.417 -32526 6512.2 -39038 -39038 -0.00027144 -0.0006667 -0.00044764 3.7876e+05 2024-05-08 11:03:31,661 INFO [main.py:798]
{rank 0/64} MD step = 217400 step time: 00:00:00.154346 Performance: 62.211 ns/day 0.386 hours/ns 3.600 steps/s 2024-05-08 11:03:37,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217400 43480 59.373 -32573 6507.3 -39080 -39080 -9.5243e-05 -0.00036193 -0.00015239 3.7894e+05 2024-05-08 11:03:53,042 INFO [main.py:798]
{rank 0/64} MD step = 217500 step time: 00:00:00.153536 Performance: 62.218 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 11:03:58,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217500 43500 60.634 -32559 6645.5 -39204 -39204 0.00022858 -0.00030478 -5.7146e-05 3.7908e+05 2024-05-08 11:04:15,233 INFO [main.py:798]
{rank 0/64} MD step = 217600 step time: 00:00:00.153045 Performance: 62.223 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 11:04:22,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217600 43520 59.247 -32495 6493.6 -38989 -38989 -0.00036193 -0.00053336 0.00011429 3.7929e+05 2024-05-08 11:04:37,866 INFO [main.py:798]
{rank 0/64} MD step = 217700 step time: 00:00:00.155192 Performance: 62.229 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 11:04:43,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217700 43540 58.626 -32628 6425.5 -39054 -39054 -0.00032383 -0.00057146 -0.0007048 3.7942e+05 2024-05-08 11:04:59,489 INFO [main.py:798]
{rank 0/64} MD step = 217800 step time: 00:00:00.151451 Performance: 62.235 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:05:05,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217800 43560 60.15 -32706 6592.6 -39299 -39299 -1.9049e-05 -0.00026668 -0.00068575 3.7956e+05 2024-05-08 11:05:23,764 INFO [main.py:798]
{rank 0/64} MD step = 217900 step time: 00:00:00.153346 Performance: 62.239 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:05:35,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217900 43580 58.808 -32792 6445.4 -39237 -39237 0.00015239 -0.00068575 -0.00064766 3.7972e+05 2024-05-08 11:05:51,094 INFO [main.py:798]
{rank 0/64} MD step = 218000 step time: 00:00:00.144761 Performance: 62.239 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:05:57,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218000 43600 60.415 -32420 6621.6 -39041 -39041 -0.00021906 -0.0007048 -0.00013334 3.7991e+05 2024-05-08 11:06:13,263 INFO [main.py:798]
{rank 0/64} MD step = 218100 step time: 00:00:00.139885 Performance: 62.245 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:06:21,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218100 43620 59.988 -32450 6574.8 -39024 -39024 -0.00022858 -0.00028573 -0.00067623 3.8013e+05 2024-05-08 11:06:37,697 INFO [main.py:798]
{rank 0/64} MD step = 218200 step time: 00:00:00.144776 Performance: 62.248 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:06:45,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218200 43640 60.115 -32669 6588.6 -39258 -39258 -0.00040002 -0.00024763 -0.00072385 3.8029e+05 2024-05-08 11:07:01,342 INFO [main.py:798]
{rank 0/64} MD step = 218300 step time: 00:00:00.145108 Performance: 62.252 ns/day 0.386 hours/ns 3.603 steps/s 2024-05-08 11:07:25,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218300 43660 59.788 -32623 6552.8 -39175 -39175 0.00011905 -0.00038097 -0.00058099 3.8047e+05 2024-05-08 11:07:41,582 INFO [main.py:798]
{rank 0/64} MD step = 218400 step time: 00:00:00.158372 Performance: 62.240 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:07:49,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218400 43680 59.888 -32535 6563.8 -39098 -39098 -0.00028573 -0.00056194 -0.00032383 3.8064e+05 2024-05-08 11:08:05,304 INFO [main.py:798]
{rank 0/64} MD step = 218500 step time: 00:00:00.154651 Performance: 62.244 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:08:12,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218500 43700 59.673 -32625 6540.3 -39166 -39166 -0.00024763 -0.00063813 -0.00057146 3.808e+05 2024-05-08 11:08:29,451 INFO [main.py:798]
{rank 0/64} MD step = 218600 step time: 00:00:00.156371 Performance: 62.247 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:08:45,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218600 43720 60.894 -32575 6674.1 -39249 -39249 -0.00010477 -0.00044764 -0.00053336 3.8099e+05 2024-05-08 11:09:01,134 INFO [main.py:798]
{rank 0/64} MD step = 218700 step time: 00:00:00.163520 Performance: 62.243 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:09:12,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218700 43740 59.482 -32583 6519.3 -39103 -39103 -0.00020954 -0.00036193 -0.00050479 3.8116e+05 2024-05-08 11:09:27,847 INFO [main.py:798]
{rank 0/64} MD step = 218800 step time: 00:00:00.152439 Performance: 62.245 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:09:33,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218800 43760 59.54 -32669 6525.6 -39195 -39195 -0.00034288 -0.00068575 -0.00047622 3.8136e+05 2024-05-08 11:09:50,239 INFO [main.py:798]
{rank 0/64} MD step = 218900 step time: 00:00:00.152606 Performance: 62.250 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 11:09:56,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218900 43780 59.671 -32641 6540 -39181 -39181 0.00014287 -0.0003143 -9.5243e-05 3.8152e+05 2024-05-08 11:10:12,249 INFO [main.py:798]
{rank 0/64} MD step = 219000 step time: 00:00:00.151295 Performance: 62.256 ns/day 0.386 hours/ns 3.603 steps/s 2024-05-08 11:10:18,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219000 43800 60.625 -32479 6644.6 -39123 -39123 -0.00041907 -0.00045717 -0.00048574 3.8174e+05 2024-05-08 11:10:34,522 INFO [main.py:798]
{rank 0/64} MD step = 219100 step time: 00:00:00.158241 Performance: 62.262 ns/day 0.385 hours/ns 3.603 steps/s 2024-05-08 11:10:43,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219100 43820 60.031 -32594 6579.4 -39173 -39173 -0.00028573 -3.8097e-05 -0.00057146 3.8189e+05 2024-05-08 11:10:58,795 INFO [main.py:798]
{rank 0/64} MD step = 219200 step time: 00:00:00.151492 Performance: 62.265 ns/day 0.385 hours/ns 3.603 steps/s 2024-05-08 11:11:06,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219200 43840 59.546 -32545 6526.3 -39071 -39071 -0.00049527 -0.00062861 -0.00033335 3.821e+05 2024-05-08 11:11:22,612 INFO [main.py:798]
{rank 0/64} MD step = 219300 step time: 00:00:00.154334 Performance: 62.269 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 11:11:28,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219300 43860 59.097 -32505 6477.1 -38982 -38982 -0.00018096 -0.00044764 -0.00055241 3.8227e+05 2024-05-08 11:11:44,248 INFO [main.py:798]
{rank 0/64} MD step = 219400 step time: 00:00:00.141688 Performance: 62.275 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 11:11:53,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219400 43880 59.753 -32688 6549 -39237 -39237 -0.00049527 -0.00047622 -0.00076195 3.8242e+05 2024-05-08 11:12:09,808 INFO [main.py:798]
{rank 0/64} MD step = 219500 step time: 00:00:00.142073 Performance: 62.278 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 11:12:16,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219500 43900 61.027 -32446 6688.6 -39134 -39134 -0.00030478 -0.00053336 -0.0003905 3.8264e+05 2024-05-08 11:12:31,929 INFO [main.py:798]
{rank 0/64} MD step = 219600 step time: 00:00:00.140115 Performance: 62.283 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 11:12:38,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219600 43920 60.626 -32522 6644.7 -39167 -39167 -0.00024763 -0.00019049 -0.00059051 3.8277e+05 2024-05-08 11:12:53,861 INFO [main.py:798]
{rank 0/64} MD step = 219700 step time: 00:00:00.141795 Performance: 62.289 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 11:13:00,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219700 43940 60.133 -32583 6590.7 -39173 -39173 -0.00041907 -0.00049527 -6.1908e-05 3.8297e+05 2024-05-08 11:13:15,655 INFO [main.py:798]
{rank 0/64} MD step = 219800 step time: 00:00:00.154701 Performance: 62.295 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 11:13:21,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219800 43960 59.602 -32772 6532.4 -39305 -39305 -0.00041907 -0.00027621 -0.0007429 3.8312e+05 2024-05-08 11:13:37,622 INFO [main.py:798]
{rank 0/64} MD step = 219900 step time: 00:00:00.158413 Performance: 62.301 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 11:13:43,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219900 43980 60.258 -32632 6604.3 -39237 -39237 -0.00038097 -0.00043812 -0.0007048 3.8333e+05 2024-05-08 11:13:59,964 INFO [main.py:798]
{rank 0/64} MD step = 220000 step time: 00:00:00.149787 Performance: 62.307 ns/day 0.385 hours/ns 3.606 steps/s 2024-05-08 11:14:06,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220000 44000 60.142 -32568 6591.6 -39160 -39160 -0.00033335 -0.00047622 -9.5243e-06 3.8349e+05 2024-05-08 11:14:22,726 INFO [main.py:798]
{rank 0/64} MD step = 220100 step time: 00:00:00.143577 Performance: 62.312 ns/day 0.385 hours/ns 3.606 steps/s 2024-05-08 11:14:28,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220100 44020 59.58 -32605 6530.1 -39135 -39135 -0.00021906 -0.00053336 0 3.837e+05 2024-05-08 11:14:44,569 INFO [main.py:798]
{rank 0/64} MD step = 220200 step time: 00:00:00.156401 Performance: 62.318 ns/day 0.385 hours/ns 3.606 steps/s 2024-05-08 11:14:52,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220200 44040 60.484 -32437 6629.1 -39066 -39066 -0.00038574 -0.00045717 -0.00055241 3.8388e+05 2024-05-08 11:15:08,493 INFO [main.py:798]
{rank 0/64} MD step = 220300 step time: 00:00:00.154867 Performance: 62.322 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 11:15:14,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220300 44060 59.857 -32568 6560.3 -39128 -39128 -8.5719e-05 0.00012382 -0.00065242 3.8405e+05 2024-05-08 11:15:31,115 INFO [main.py:798]
{rank 0/64} MD step = 220400 step time: 00:00:00.141313 Performance: 62.327 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 11:15:38,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220400 44080 60.301 -32573 6609 -39182 -39182 -0.00041907 -0.00033335 -0.00073337 3.8423e+05 2024-05-08 11:15:55,776 INFO [main.py:798]
{rank 0/64} MD step = 220500 step time: 00:00:00.142967 Performance: 62.330 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 11:16:02,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220500 44100 60.417 -32650 6621.8 -39272 -39272 -0.00011429 -0.00040955 -0.00065242 3.8439e+05 2024-05-08 11:16:19,101 INFO [main.py:798]
{rank 0/64} MD step = 220600 step time: 00:00:00.150316 Performance: 62.335 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 11:16:25,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220600 44120 60.016 -32538 6577.8 -39116 -39116 0.00039526 -0.00044764 -0.00023811 3.846e+05 2024-05-08 11:16:41,255 INFO [main.py:798]
{rank 0/64} MD step = 220700 step time: 00:00:00.159318 Performance: 62.340 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 11:16:45,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220700 44140 58.962 -32743 6462.3 -39206 -39206 -0.0004286 -0.00041907 -0.0002524 3.8478e+05 2024-05-08 11:17:02,730 INFO [main.py:798]
{rank 0/64} MD step = 220800 step time: 00:00:00.151212 Performance: 62.347 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 11:17:10,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220800 44160 60.303 -32686 6609.2 -39295 -39295 -0.00020954 -0.00049527 -1.9049e-05 3.8494e+05 2024-05-08 11:17:25,999 INFO [main.py:798]
{rank 0/64} MD step = 220900 step time: 00:00:00.155043 Performance: 62.351 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 11:17:33,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220900 44180 59.352 -32584 6505 -39089 -39089 -0.00033335 -0.00059051 -0.0007429 3.8516e+05 2024-05-08 11:17:48,871 INFO [main.py:798]
{rank 0/64} MD step = 221000 step time: 00:00:00.156924 Performance: 62.356 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 11:17:56,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221000 44200 60.343 -32557 6613.6 -39170 -39170 -0.00038097 -0.00038097 -0.00016668 3.8533e+05 2024-05-08 11:18:11,616 INFO [main.py:798]
{rank 0/64} MD step = 221100 step time: 00:00:00.167432 Performance: 62.361 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 11:18:16,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221100 44220 59.846 -32477 6559.2 -39036 -39036 -0.00036193 -0.00033335 -3.8097e-05 3.8554e+05 2024-05-08 11:18:33,835 INFO [main.py:798]
{rank 0/64} MD step = 221200 step time: 00:00:00.149602 Performance: 62.367 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 11:18:38,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221200 44240 59.657 -32509 6538.5 -39048 -39048 -0.00030478 -0.00047622 -0.00072385 3.8571e+05 2024-05-08 11:18:55,370 INFO [main.py:798]
{rank 0/64} MD step = 221300 step time: 00:00:00.159288 Performance: 62.373 ns/day 0.385 hours/ns 3.610 steps/s 2024-05-08 11:19:01,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221300 44260 60.202 -32530 6598.2 -39128 -39128 -0.00034288 -0.0007048 -0.00045717 3.8591e+05 2024-05-08 11:19:17,124 INFO [main.py:798]
{rank 0/64} MD step = 221400 step time: 00:00:00.166559 Performance: 62.379 ns/day 0.385 hours/ns 3.610 steps/s 2024-05-08 11:19:22,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221400 44280 59.618 -32567 6534.2 -39101 -39101 -0.00026668 -0.00040955 -0.00053336 3.8609e+05 2024-05-08 11:19:38,454 INFO [main.py:798]
{rank 0/64} MD step = 221500 step time: 00:00:00.156569 Performance: 62.385 ns/day 0.385 hours/ns 3.610 steps/s 2024-05-08 11:19:45,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221500 44300 59.31 -32535 6500.5 -39035 -39035 -0.00046669 -0.00049527 -0.00053336 3.863e+05 2024-05-08 11:20:00,986 INFO [main.py:798]
{rank 0/64} MD step = 221600 step time: 00:00:00.155688 Performance: 62.391 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 11:20:08,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221600 44320 60.47 -32594 6627.6 -39222 -39222 -9.5243e-06 -0.0004286 -0.00076195 3.8646e+05 2024-05-08 11:20:24,948 INFO [main.py:798]
{rank 0/64} MD step = 221700 step time: 00:00:00.165011 Performance: 62.395 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 11:20:31,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221700 44340 58.969 -32679 6463.1 -39142 -39142 -0.00020001 -0.00051431 -0.00033335 3.8665e+05 2024-05-08 11:20:47,435 INFO [main.py:798]
{rank 0/64} MD step = 221800 step time: 00:00:00.170139 Performance: 62.400 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 11:20:57,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221800 44360 60.134 -32609 6590.8 -39199 -39199 -0.00045717 -0.00051908 -0.00068575 3.8682e+05 2024-05-08 11:21:12,920 INFO [main.py:798]
{rank 0/64} MD step = 221900 step time: 00:00:00.169016 Performance: 62.402 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 11:21:21,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221900 44380 60.171 -32484 6594.8 -39079 -39079 0.00026668 -0.00019049 -0.00022382 3.8699e+05 2024-05-08 11:21:38,317 INFO [main.py:798]
{rank 0/64} MD step = 222000 step time: 00:00:00.143449 Performance: 62.404 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 11:21:48,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222000 44400 61.228 -32451 6710.6 -39162 -39162 -0.00072385 -0.00049527 -0.00028573 3.8717e+05 2024-05-08 11:22:04,345 INFO [main.py:798]
{rank 0/64} MD step = 222100 step time: 00:00:00.152088 Performance: 62.406 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 11:22:13,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222100 44420 59.115 -32708 6479 -39187 -39187 -0.00026668 -0.00024763 -0.00015239 3.8735e+05 2024-05-08 11:22:29,664 INFO [main.py:798]
{rank 0/64} MD step = 222200 step time: 00:00:00.155532 Performance: 62.408 ns/day 0.385 hours/ns 3.612 steps/s 2024-05-08 11:22:40,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222200 44440 60.258 -32446 6604.4 -39051 -39051 3.8097e-05 -0.0004286 -0.00024763 3.8756e+05 2024-05-08 11:22:56,379 INFO [main.py:798]
{rank 0/64} MD step = 222300 step time: 00:00:00.145917 Performance: 62.409 ns/day 0.385 hours/ns 3.612 steps/s 2024-05-08 11:23:04,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222300 44460 59.157 -32760 6483.7 -39244 -39244 -0.00043812 -0.00049527 -0.00037145 3.877e+05 2024-05-08 11:23:20,723 INFO [main.py:798]
{rank 0/64} MD step = 222400 step time: 00:00:00.146271 Performance: 62.413 ns/day 0.385 hours/ns 3.612 steps/s 2024-05-08 11:23:28,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222400 44480 60.54 -32492 6635.2 -39127 -39127 -0.00024763 -0.00026668 -0.0003143 3.8789e+05 2024-05-08 11:23:44,713 INFO [main.py:798]
{rank 0/64} MD step = 222500 step time: 00:00:00.148750 Performance: 62.417 ns/day 0.385 hours/ns 3.612 steps/s 2024-05-08 11:23:50,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222500 44500 60.339 -32484 6613.2 -39097 -39097 -0.00045717 -0.00022858 -0.00072385 3.881e+05 2024-05-08 11:24:05,944 INFO [main.py:798]
{rank 0/64} MD step = 222600 step time: 00:00:00.147832 Performance: 62.423 ns/day 0.384 hours/ns 3.612 steps/s 2024-05-08 11:24:13,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222600 44520 60.272 -32503 6605.9 -39109 -39109 -0.0004286 -0.00045717 7.6195e-05 3.8826e+05 2024-05-08 11:24:31,409 INFO [main.py:798]
{rank 0/64} MD step = 222700 step time: 00:00:00.162192 Performance: 62.425 ns/day 0.384 hours/ns 3.613 steps/s 2024-05-08 11:24:40,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222700 44540 59.967 -32451 6572.4 -39024 -39024 7.6195e-05 -0.00040955 -0.000781 3.8842e+05 2024-05-08 11:25:00,781 INFO [main.py:798]
{rank 0/64} MD step = 222800 step time: 00:00:00.169422 Performance: 62.424 ns/day 0.384 hours/ns 3.612 steps/s 2024-05-08 11:25:06,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222800 44560 60.08 -32670 6584.9 -39254 -39254 -0.00049527 -0.0003905 -0.00020954 3.8859e+05 2024-05-08 11:25:22,757 INFO [main.py:798]
{rank 0/64} MD step = 222900 step time: 00:00:00.167771 Performance: 62.429 ns/day 0.384 hours/ns 3.613 steps/s 2024-05-08 11:25:28,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222900 44580 59.571 -32542 6529.1 -39071 -39071 -0.00026668 -0.00046669 -0.00037145 3.8876e+05 2024-05-08 11:25:44,315 INFO [main.py:798]
{rank 0/64} MD step = 223000 step time: 00:00:00.163644 Performance: 62.436 ns/day 0.384 hours/ns 3.613 steps/s 2024-05-08 11:25:49,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223000 44600 60.029 -32492 6579.3 -39071 -39071 -0.00041907 -0.00041907 0.00011429 3.8894e+05 2024-05-08 11:26:05,710 INFO [main.py:798]
{rank 0/64} MD step = 223100 step time: 00:00:00.161814 Performance: 62.442 ns/day 0.384 hours/ns 3.614 steps/s 2024-05-08 11:26:13,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223100 44620 59.504 -32647 6521.7 -39169 -39169 -0.00011429 -0.00049527 -0.00059051 3.891e+05 2024-05-08 11:26:28,931 INFO [main.py:798]
{rank 0/64} MD step = 223200 step time: 00:00:00.162418 Performance: 62.446 ns/day 0.384 hours/ns 3.614 steps/s 2024-05-08 11:26:35,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223200 44640 59.293 -32680 6498.6 -39178 -39178 -0.00049527 -0.00050479 -0.00055241 3.8929e+05 2024-05-08 11:26:51,207 INFO [main.py:798]
{rank 0/64} MD step = 223300 step time: 00:00:00.161846 Performance: 62.452 ns/day 0.384 hours/ns 3.614 steps/s 2024-05-08 11:26:56,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223300 44660 60.986 -32441 6684.1 -39125 -39125 -0.00051431 -0.00072385 -0.00057146 3.8946e+05 2024-05-08 11:27:12,103 INFO [main.py:798]
{rank 0/64} MD step = 223400 step time: 00:00:00.160213 Performance: 62.459 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 11:27:17,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223400 44680 60.115 -32788 6588.7 -39377 -39377 -0.00020001 -0.00062861 -0.00062861 3.8957e+05 2024-05-08 11:27:36,214 INFO [main.py:798]
{rank 0/64} MD step = 223500 step time: 00:00:00.153020 Performance: 62.462 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 11:27:44,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223500 44700 60.179 -32591 6595.7 -39187 -39187 -0.00033811 -0.00053336 -0.00040955 3.8978e+05 2024-05-08 11:28:00,084 INFO [main.py:798]
{rank 0/64} MD step = 223600 step time: 00:00:00.138360 Performance: 62.466 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 11:28:12,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223600 44720 60.3 -32523 6608.9 -39132 -39132 -0.00022858 -0.00037145 -1.9049e-05 3.8996e+05 2024-05-08 11:28:28,752 INFO [main.py:798]
{rank 0/64} MD step = 223700 step time: 00:00:00.139343 Performance: 62.465 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 11:28:39,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223700 44740 60.361 -32643 6615.7 -39259 -39259 -8.0957e-05 -0.00045717 -0.00064766 3.9011e+05 2024-05-08 11:28:55,473 INFO [main.py:798]
{rank 0/64} MD step = 223800 step time: 00:00:00.155968 Performance: 62.466 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 11:29:02,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223800 44760 59.684 -32632 6541.4 -39174 -39174 -0.00027621 -0.00049527 0.00024763 3.9032e+05 2024-05-08 11:29:18,506 INFO [main.py:798]
{rank 0/64} MD step = 223900 step time: 00:00:00.148386 Performance: 62.471 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 11:29:24,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223900 44780 60.043 -32637 6580.8 -39218 -39218 0.00019049 -0.00027621 -0.00059051 3.9048e+05 2024-05-08 11:29:40,179 INFO [main.py:798]
{rank 0/64} MD step = 224000 step time: 00:00:00.154002 Performance: 62.477 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 11:29:45,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224000 44800 60.4 -32612 6619.9 -39232 -39232 -0.00020954 -0.00026668 0.00011429 3.9066e+05 2024-05-08 11:30:01,625 INFO [main.py:798]
{rank 0/64} MD step = 224100 step time: 00:00:00.139811 Performance: 62.483 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 11:30:05,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224100 44820 59.882 -32811 6563.2 -39374 -39374 -0.00026668 -0.00041907 -0.00058337 3.9083e+05 2024-05-08 11:30:23,421 INFO [main.py:798]
{rank 0/64} MD step = 224200 step time: 00:00:00.141866 Performance: 62.489 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 11:30:32,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224200 44840 59.033 -32747 6470.1 -39217 -39217 -0.0003143 -0.00033335 -0.00032383 3.9103e+05 2024-05-08 11:30:48,362 INFO [main.py:798]
{rank 0/64} MD step = 224300 step time: 00:00:00.152381 Performance: 62.492 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 11:30:56,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224300 44860 59.427 -32542 6513.3 -39055 -39055 -0.00043812 -0.00049527 -0.00040955 3.9124e+05 2024-05-08 11:31:14,639 INFO [main.py:798]
{rank 0/64} MD step = 224400 step time: 00:00:00.165377 Performance: 62.493 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 11:31:23,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224400 44880 59.738 -32562 6547.4 -39109 -39109 -0.00047622 -0.00040002 -0.00040478 3.9138e+05 2024-05-08 11:31:38,989 INFO [main.py:798]
{rank 0/64} MD step = 224500 step time: 00:00:00.151102 Performance: 62.496 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 11:31:51,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224500 44900 59.882 -32667 6563.2 -39230 -39230 0.00014287 -0.00023335 -0.00034288 3.9153e+05 2024-05-08 11:32:06,740 INFO [main.py:798]
{rank 0/64} MD step = 224600 step time: 00:00:00.144108 Performance: 62.496 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 11:32:12,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224600 44920 59.481 -32668 6519.1 -39187 -39187 -6.667e-05 -0.00034288 -0.00013334 3.917e+05 2024-05-08 11:32:28,730 INFO [main.py:798]
{rank 0/64} MD step = 224700 step time: 00:00:00.148401 Performance: 62.502 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 11:32:34,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224700 44940 59.834 -32618 6557.9 -39176 -39176 -0.00048098 -0.00032383 -0.00049527 3.9188e+05 2024-05-08 11:32:50,606 INFO [main.py:798]
{rank 0/64} MD step = 224800 step time: 00:00:00.151974 Performance: 62.508 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 11:32:56,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224800 44960 59.476 -32570 6518.6 -39088 -39088 -0.00032383 -0.00038097 -0.00057146 3.921e+05 2024-05-08 11:33:13,035 INFO [main.py:798]
{rank 0/64} MD step = 224900 step time: 00:00:00.153675 Performance: 62.513 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 11:33:24,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224900 44980 60.801 -32438 6663.9 -39102 -39102 -0.00041907 -0.00045717 5.7146e-05 3.9226e+05 2024-05-08 11:33:40,537 INFO [main.py:798]
{rank 0/64} MD step = 225000 step time: 00:00:00.187103 Performance: 62.513 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 11:33:48,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225000 45000 59.448 -32646 6515.6 -39162 -39162 -0.00028573 -0.00034288 -0.00030002 3.9244e+05 2024-05-08 11:34:04,666 INFO [main.py:798]
{rank 0/64} MD step = 225100 step time: 00:00:00.153399 Performance: 62.517 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 11:34:09,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225100 45020 59.044 -32624 6471.3 -39095 -39095 -0.00017144 -0.00064766 -0.00060003 3.926e+05 2024-05-08 11:34:26,097 INFO [main.py:798]
{rank 0/64} MD step = 225200 step time: 00:00:00.138340 Performance: 62.523 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 11:34:33,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225200 45040 60.156 -32575 6593.1 -39168 -39168 -0.00030478 -0.00047622 -9.5243e-05 3.9278e+05 2024-05-08 11:34:51,363 INFO [main.py:798]
{rank 0/64} MD step = 225300 step time: 00:00:00.158486 Performance: 62.525 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 11:34:59,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225300 45060 59.646 -32561 6537.2 -39098 -39098 -0.00026668 -0.00011429 -0.0006667 3.9294e+05 2024-05-08 11:35:15,640 INFO [main.py:798]
{rank 0/64} MD step = 225400 step time: 00:00:00.179939 Performance: 62.529 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 11:35:20,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225400 45080 60.05 -32554 6581.5 -39135 -39135 -7.6195e-05 -0.00046669 -0.00068575 3.9314e+05 2024-05-08 11:35:37,513 INFO [main.py:798]
{rank 0/64} MD step = 225500 step time: 00:00:00.157994 Performance: 62.535 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 11:35:43,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225500 45100 60.123 -32614 6589.6 -39204 -39204 -0.00030478 -0.00028573 -3.8097e-05 3.9328e+05 2024-05-08 11:36:00,319 INFO [main.py:798]
{rank 0/64} MD step = 225600 step time: 00:00:00.150345 Performance: 62.539 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 11:36:06,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225600 45120 60.39 -32356 6618.9 -38975 -38975 -0.00028573 -0.00050479 -0.00045717 3.9352e+05 2024-05-08 11:36:22,204 INFO [main.py:798]
{rank 0/64} MD step = 225700 step time: 00:00:00.160032 Performance: 62.545 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 11:36:27,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225700 45140 60.616 -32421 6643.5 -39065 -39065 -0.00037145 -0.00048574 -5.7146e-05 3.9366e+05 2024-05-08 11:36:43,122 INFO [main.py:798]
{rank 0/64} MD step = 225800 step time: 00:00:00.159715 Performance: 62.552 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 11:36:47,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225800 45160 59.934 -32632 6568.8 -39201 -39201 -0.00018096 -0.00060956 -0.00059051 3.9386e+05 2024-05-08 11:37:03,039 INFO [main.py:798]
{rank 0/64} MD step = 225900 step time: 00:00:00.156019 Performance: 62.560 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 11:37:10,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225900 45180 59.893 -32606 6564.3 -39170 -39170 -0.00049527 -0.00036193 -0.00017144 3.9401e+05 2024-05-08 11:37:24,705 INFO [main.py:798]
{rank 0/64} MD step = 226000 step time: 00:00:00.134067 Performance: 62.566 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 11:37:37,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226000 45200 60.144 -32581 6591.8 -39173 -39173 -0.00024763 -0.00034288 -0.00070004 3.9418e+05 2024-05-08 11:37:55,362 INFO [main.py:798]
{rank 0/64} MD step = 226100 step time: 00:00:00.150797 Performance: 62.563 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 11:37:59,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226100 45220 60.479 -32409 6628.6 -39038 -39038 -0.00036193 -0.00057146 -0.00040002 3.9436e+05 2024-05-08 11:38:17,396 INFO [main.py:798]
{rank 0/64} MD step = 226200 step time: 00:00:00.152197 Performance: 62.568 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 11:38:23,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226200 45240 58.976 -32708 6463.8 -39172 -39172 -0.00030002 -0.00034288 -0.00011429 3.9454e+05 2024-05-08 11:38:40,172 INFO [main.py:798]
{rank 0/64} MD step = 226300 step time: 00:00:00.164118 Performance: 62.573 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 11:38:45,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226300 45260 60.919 -32421 6676.8 -39098 -39098 -0.00038097 -0.00038097 -0.00026668 3.9473e+05 2024-05-08 11:39:01,125 INFO [main.py:798]
{rank 0/64} MD step = 226400 step time: 00:00:00.160506 Performance: 62.580 ns/day 0.384 hours/ns 3.622 steps/s 2024-05-08 11:39:14,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226400 45280 60.16 -32586 6593.6 -39179 -39179 -0.00016191 -0.0003524 0.00016191 3.9486e+05 2024-05-08 11:39:30,097 INFO [main.py:798]
{rank 0/64} MD step = 226500 step time: 00:00:00.161713 Performance: 62.578 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 11:39:33,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226500 45300 60.136 -32463 6591 -39054 -39054 -0.00038097 -0.0006667 -0.00046193 3.9506e+05 2024-05-08 11:39:51,215 INFO [main.py:798]
{rank 0/64} MD step = 226600 step time: 00:00:00.158444 Performance: 62.585 ns/day 0.383 hours/ns 3.622 steps/s 2024-05-08 11:39:56,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226600 45320 60.009 -32541 6577 -39118 -39118 -0.00040955 -0.00041907 -0.00044764 3.9524e+05 2024-05-08 11:40:12,546 INFO [main.py:798]
{rank 0/64} MD step = 226700 step time: 00:00:00.159158 Performance: 62.591 ns/day 0.383 hours/ns 3.622 steps/s 2024-05-08 11:40:18,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226700 45340 59.997 -32576 6575.7 -39152 -39152 -0.00026192 -0.00053336 -0.0006667 3.9541e+05 2024-05-08 11:40:34,334 INFO [main.py:798]
{rank 0/64} MD step = 226800 step time: 00:00:00.167626 Performance: 62.597 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 11:40:39,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226800 45360 60.749 -32510 6658.1 -39168 -39168 -0.00032383 -0.00049527 1.9049e-05 3.956e+05 2024-05-08 11:40:54,754 INFO [main.py:798]
{rank 0/64} MD step = 226900 step time: 00:00:00.164493 Performance: 62.604 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 11:40:59,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226900 45380 60.492 -32427 6630 -39057 -39057 -9.5243e-05 -0.00038097 3.8097e-05 3.9577e+05 2024-05-08 11:41:15,263 INFO [main.py:798]
{rank 0/64} MD step = 227000 step time: 00:00:00.157436 Performance: 62.611 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 11:41:22,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227000 45400 60.417 -32380 6621.8 -39002 -39002 -0.00032383 -0.00049527 -9.5243e-05 3.9594e+05 2024-05-08 11:41:38,021 INFO [main.py:798]
{rank 0/64} MD step = 227100 step time: 00:00:00.168484 Performance: 62.616 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 11:41:45,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227100 45420 60.74 -32483 6657.2 -39140 -39140 3.8097e-05 -0.00014287 -0.00061908 3.9611e+05 2024-05-08 11:42:00,756 INFO [main.py:798]
{rank 0/64} MD step = 227200 step time: 00:00:00.161082 Performance: 62.621 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 11:42:06,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227200 45440 59.015 -32659 6468.1 -39128 -39128 -0.00040002 -0.00028573 -0.00013334 3.9627e+05 2024-05-08 11:42:22,048 INFO [main.py:798]
{rank 0/64} MD step = 227300 step time: 00:00:00.155183 Performance: 62.627 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 11:42:25,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227300 45460 59.881 -32558 6563 -39121 -39121 -0.00028573 -0.00049527 -0.00024763 3.9646e+05 2024-05-08 11:42:43,335 INFO [main.py:798]
{rank 0/64} MD step = 227400 step time: 00:00:00.156700 Performance: 62.633 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 11:42:48,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227400 45480 60.148 -32545 6592.3 -39138 -39138 -0.00032383 -0.00058099 -0.00060003 3.9663e+05 2024-05-08 11:43:04,099 INFO [main.py:798]
{rank 0/64} MD step = 227500 step time: 00:00:00.147366 Performance: 62.640 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 11:43:09,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227500 45500 58.901 -32826 6455.6 -39281 -39281 -0.0004905 -0.00013334 -0.00059051 3.9677e+05 2024-05-08 11:43:25,516 INFO [main.py:798]
{rank 0/64} MD step = 227600 step time: 00:00:00.182938 Performance: 62.646 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 11:43:30,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227600 45520 60.634 -32451 6645.5 -39096 -39096 0.00013334 -0.00036193 -0.00030478 3.9697e+05 2024-05-08 11:43:53,807 INFO [main.py:798]
{rank 0/64} MD step = 227700 step time: 00:00:00.168781 Performance: 62.646 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 11:43:59,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227700 45540 59.752 -32619 6548.9 -39168 -39168 5.7146e-05 -0.00061908 -0.00044764 3.9714e+05 2024-05-08 11:44:15,764 INFO [main.py:798]
{rank 0/64} MD step = 227800 step time: 00:00:00.154475 Performance: 62.651 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 11:44:21,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227800 45560 59.816 -32682 6555.9 -39238 -39238 -0.00015239 -0.00024763 -0.0006667 3.9734e+05 2024-05-08 11:44:36,887 INFO [main.py:798]
{rank 0/64} MD step = 227900 step time: 00:00:00.146072 Performance: 62.658 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 11:44:44,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227900 45580 60.043 -32647 6580.8 -39228 -39228 -0.00047622 -0.00032383 -0.0007429 3.9754e+05 2024-05-08 11:45:00,724 INFO [main.py:798]
{rank 0/64} MD step = 228000 step time: 00:00:00.152875 Performance: 62.661 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 11:45:12,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228000 45600 60.173 -32658 6595 -39253 -39253 -0.00034288 -0.00034288 3.8097e-05 3.9768e+05 2024-05-08 11:45:28,998 INFO [main.py:798]
{rank 0/64} MD step = 228100 step time: 00:00:00.155945 Performance: 62.661 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 11:45:35,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228100 45620 59.017 -32730 6468.4 -39198 -39198 -0.00024763 -0.00044764 3.8097e-05 3.9787e+05 2024-05-08 11:45:52,503 INFO [main.py:798]
{rank 0/64} MD step = 228200 step time: 00:00:00.159215 Performance: 62.665 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 11:45:59,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228200 45640 59.357 -32726 6505.6 -39232 -39232 -0.00022858 -0.00076195 -0.00043812 3.9807e+05 2024-05-08 11:46:15,978 INFO [main.py:798]
{rank 0/64} MD step = 228300 step time: 00:00:00.155004 Performance: 62.669 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 11:46:23,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228300 45660 60.393 -32473 6619.1 -39092 -39092 -0.00053336 -0.00041907 -0.00039526 3.9826e+05 2024-05-08 11:46:39,171 INFO [main.py:798]
{rank 0/64} MD step = 228400 step time: 00:00:00.161875 Performance: 62.673 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 11:46:47,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228400 45680 60.095 -32543 6586.5 -39129 -39129 -0.00022858 -0.00045717 -0.00043812 3.9844e+05 2024-05-08 11:47:03,785 INFO [main.py:798]
{rank 0/64} MD step = 228500 step time: 00:00:00.150066 Performance: 62.676 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 11:47:10,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228500 45700 60.689 -32538 6651.6 -39189 -39189 -0.00038097 -0.00047622 -0.00065718 3.9858e+05 2024-05-08 11:47:26,720 INFO [main.py:798]
{rank 0/64} MD step = 228600 step time: 00:00:00.149018 Performance: 62.681 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 11:47:32,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228600 45720 60.989 -32431 6684.5 -39115 -39115 -0.00020001 -0.00060003 -2.8573e-05 3.9877e+05 2024-05-08 11:47:49,125 INFO [main.py:798]
{rank 0/64} MD step = 228700 step time: 00:00:00.153715 Performance: 62.686 ns/day 0.383 hours/ns 3.628 steps/s 2024-05-08 11:47:52,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228700 45740 59.966 -32622 6572.3 -39194 -39194 -0.00055717 -0.00038097 3.8097e-05 3.989e+05 2024-05-08 11:48:10,551 INFO [main.py:798]
{rank 0/64} MD step = 228800 step time: 00:00:00.169564 Performance: 62.692 ns/day 0.383 hours/ns 3.628 steps/s 2024-05-08 11:48:16,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228800 45760 60.516 -32401 6632.6 -39034 -39034 -0.00013334 -0.00030478 -0.00010477 3.991e+05 2024-05-08 11:48:33,221 INFO [main.py:798]
{rank 0/64} MD step = 228900 step time: 00:00:00.153389 Performance: 62.697 ns/day 0.383 hours/ns 3.628 steps/s 2024-05-08 11:48:40,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228900 45780 60.022 -32588 6578.5 -39166 -39166 -0.00019049 -0.00053336 3.8097e-05 3.9925e+05 2024-05-08 11:48:59,773 INFO [main.py:798]
{rank 0/64} MD step = 229000 step time: 00:00:00.147709 Performance: 62.698 ns/day 0.383 hours/ns 3.628 steps/s 2024-05-08 11:49:05,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229000 45800 60.54 -32607 6635.3 -39242 -39242 -0.00018096 -0.00038097 -0.0007048 3.9942e+05 2024-05-08 11:49:21,855 INFO [main.py:798]
{rank 0/64} MD step = 229100 step time: 00:00:00.153565 Performance: 62.703 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 11:49:25,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229100 45820 60.152 -32573 6592.7 -39165 -39165 -0.00045717 -0.00054289 -0.00062861 3.9964e+05 2024-05-08 11:49:43,585 INFO [main.py:798]
{rank 0/64} MD step = 229200 step time: 00:00:00.155207 Performance: 62.709 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 11:49:49,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229200 45840 60.211 -32595 6599.2 -39195 -39195 0.00010477 -0.00055241 -0.00045717 3.9981e+05 2024-05-08 11:50:05,144 INFO [main.py:798]
{rank 0/64} MD step = 229300 step time: 00:00:00.153420 Performance: 62.715 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 11:50:12,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229300 45860 60.709 -32540 6653.8 -39194 -39194 -0.00026668 -0.00038097 -0.00026668 3.9997e+05 2024-05-08 11:50:27,988 INFO [main.py:798]
{rank 0/64} MD step = 229400 step time: 00:00:00.142612 Performance: 62.720 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 11:50:38,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229400 45880 60.215 -32405 6599.6 -39004 -39004 -0.00040002 -0.00057146 -0.00035954 4.0017e+05 2024-05-08 11:50:54,606 INFO [main.py:798]
{rank 0/64} MD step = 229500 step time: 00:00:00.150351 Performance: 62.721 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 11:51:00,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229500 45900 59.856 -32517 6560.3 -39078 -39078 -0.00053336 -0.0004286 -0.00012382 4.0031e+05 2024-05-08 11:51:16,875 INFO [main.py:798]
{rank 0/64} MD step = 229600 step time: 00:00:00.142101 Performance: 62.726 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 11:51:30,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229600 45920 59.135 -32639 6481.2 -39121 -39121 -0.00026668 -0.00040002 -0.00057146 4.0047e+05 2024-05-08 11:51:45,246 INFO [main.py:798]
{rank 0/64} MD step = 229700 step time: 00:00:00.152778 Performance: 62.725 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 11:51:57,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229700 45940 60.354 -32510 6614.9 -39125 -39125 -9.0481e-05 -0.00030478 -0.00080005 4.0062e+05 2024-05-08 11:52:12,858 INFO [main.py:798]
{rank 0/64} MD step = 229800 step time: 00:00:00.157638 Performance: 62.725 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 11:52:20,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229800 45960 60.249 -32561 6603.4 -39164 -39164 -0.00047146 -0.00064766 -0.00011429 4.0079e+05 2024-05-08 11:52:35,866 INFO [main.py:798]
{rank 0/64} MD step = 229900 step time: 00:00:00.159699 Performance: 62.730 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 11:52:43,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229900 45980 60.189 -32697 6596.8 -39294 -39294 -0.00029525 -0.00041907 -0.00014763 4.0095e+05 2024-05-08 11:52:59,281 INFO [main.py:798]
{rank 0/64} MD step = 230000 step time: 00:00:00.161498 Performance: 62.734 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 11:53:10,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230000 46000 60.686 -32492 6651.3 -39143 -39143 0.00027621 -0.00030478 -0.00057146 4.0112e+05 2024-05-08 11:53:26,324 INFO [main.py:798]
{rank 0/64} MD step = 230100 step time: 00:00:00.163258 Performance: 62.734 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 11:53:32,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230100 46020 60.565 -32448 6637.9 -39086 -39086 -9.5243e-05 -0.00045717 -0.0003905 4.0129e+05 2024-05-08 11:53:48,406 INFO [main.py:798]
{rank 0/64} MD step = 230200 step time: 00:00:00.161081 Performance: 62.740 ns/day 0.383 hours/ns 3.631 steps/s 2024-05-08 11:54:00,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230200 46040 59.841 -32542 6558.6 -39101 -39101 -0.00051431 -0.00032383 -0.00064766 4.0148e+05 2024-05-08 11:54:19,578 INFO [main.py:798]
{rank 0/64} MD step = 230300 step time: 00:00:00.161100 Performance: 62.736 ns/day 0.383 hours/ns 3.631 steps/s 2024-05-08 11:54:26,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230300 46060 60.32 -32441 6611.1 -39052 -39052 5.7146e-05 -0.00058099 -0.00040002 4.0163e+05 2024-05-08 11:54:41,747 INFO [main.py:798]
{rank 0/64} MD step = 230400 step time: 00:00:00.158895 Performance: 62.741 ns/day 0.383 hours/ns 3.631 steps/s 2024-05-08 11:54:48,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230400 46080 60.049 -32498 6581.4 -39079 -39079 -0.0004286 -0.00064766 -0.00080005 4.0181e+05 2024-05-08 11:55:03,744 INFO [main.py:798]
{rank 0/64} MD step = 230500 step time: 00:00:00.159393 Performance: 62.747 ns/day 0.382 hours/ns 3.631 steps/s 2024-05-08 11:55:12,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230500 46100 59.642 -32566 6536.9 -39103 -39103 -0.00016668 -0.00026668 -0.00068575 4.0198e+05 2024-05-08 11:55:28,791 INFO [main.py:798]
{rank 0/64} MD step = 230600 step time: 00:00:00.153862 Performance: 62.749 ns/day 0.382 hours/ns 3.631 steps/s 2024-05-08 11:55:33,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230600 46120 59.604 -32612 6532.7 -39145 -39145 -0.0003905 -0.00065718 -0.00076195 4.0214e+05 2024-05-08 11:55:52,411 INFO [main.py:798]
{rank 0/64} MD step = 230700 step time: 00:00:00.158548 Performance: 62.753 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 11:55:58,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230700 46140 59.885 -32591 6563.5 -39155 -39155 -0.00038097 -0.0007048 -0.00011429 4.0233e+05 2024-05-08 11:56:16,085 INFO [main.py:798]
{rank 0/64} MD step = 230800 step time: 00:00:00.156214 Performance: 62.757 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 11:56:22,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230800 46160 59.669 -32713 6539.8 -39253 -39253 -0.00021906 -0.0006667 -0.00028097 4.025e+05 2024-05-08 11:56:40,076 INFO [main.py:798]
{rank 0/64} MD step = 230900 step time: 00:00:00.165792 Performance: 62.760 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 11:56:47,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230900 46180 60.125 -32609 6589.8 -39199 -39199 -0.00022858 -0.00041907 -0.00040002 4.0264e+05 2024-05-08 11:57:03,473 INFO [main.py:798]
{rank 0/64} MD step = 231000 step time: 00:00:00.156851 Performance: 62.764 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 11:57:08,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231000 46200 59.962 -32559 6571.9 -39131 -39131 -0.0003524 -0.00046669 -0.00040955 4.0284e+05 2024-05-08 11:57:24,522 INFO [main.py:798]
{rank 0/64} MD step = 231100 step time: 00:00:00.157151 Performance: 62.771 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 11:57:34,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231100 46220 60.067 -32553 6583.4 -39136 -39136 -0.00026668 -0.00047622 -0.00061432 4.0299e+05 2024-05-08 11:57:51,488 INFO [main.py:798]
{rank 0/64} MD step = 231200 step time: 00:00:00.152447 Performance: 62.771 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 11:57:58,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231200 46240 60.025 -32558 6578.9 -39136 -39136 -0.00019049 -0.00045717 -0.00011429 4.0321e+05 2024-05-08 11:58:14,612 INFO [main.py:798]
{rank 0/64} MD step = 231300 step time: 00:00:00.160216 Performance: 62.776 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 11:58:21,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231300 46260 59.844 -32690 6559 -39249 -39249 1.9049e-05 -0.00041907 -0.00062861 4.0334e+05 2024-05-08 11:58:37,581 INFO [main.py:798]
{rank 0/64} MD step = 231400 step time: 00:00:00.158464 Performance: 62.780 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 11:58:44,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231400 46280 60.474 -32578 6628 -39206 -39206 -7.6195e-05 -0.00043812 -0.00040002 4.0353e+05 2024-05-08 11:59:00,043 INFO [main.py:798]
{rank 0/64} MD step = 231500 step time: 00:00:00.155260 Performance: 62.785 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 11:59:04,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231500 46300 60.114 -32680 6588.6 -39268 -39268 -0.00054765 -0.00028573 -0.00041907 4.0368e+05 2024-05-08 11:59:21,298 INFO [main.py:798]
{rank 0/64} MD step = 231600 step time: 00:00:00.147474 Performance: 62.791 ns/day 0.382 hours/ns 3.634 steps/s 2024-05-08 11:59:26,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231600 46320 59.137 -32675 6481.5 -39157 -39157 -0.00038097 -0.00034288 -0.00040717 4.0391e+05 2024-05-08 11:59:41,951 INFO [main.py:798]
{rank 0/64} MD step = 231700 step time: 00:00:00.153287 Performance: 62.798 ns/day 0.382 hours/ns 3.634 steps/s 2024-05-08 11:59:45,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231700 46340 60.449 -32577 6625.3 -39202 -39202 -0.00027621 -0.00030478 -0.00060956 4.0409e+05 2024-05-08 12:00:02,748 INFO [main.py:798]
{rank 0/64} MD step = 231800 step time: 00:00:00.155920 Performance: 62.805 ns/day 0.382 hours/ns 3.635 steps/s 2024-05-08 12:00:08,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231800 46360 59.119 -32638 6479.5 -39118 -39118 -0.00038097 -0.00072385 -3.8097e-05 4.0428e+05 2024-05-08 12:00:24,398 INFO [main.py:798]
{rank 0/64} MD step = 231900 step time: 00:00:00.160024 Performance: 62.811 ns/day 0.382 hours/ns 3.635 steps/s 2024-05-08 12:00:30,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231900 46380 60.237 -32573 6602 -39175 -39175 -0.00028573 -0.00037145 -9.5243e-06 4.0447e+05 2024-05-08 12:00:46,023 INFO [main.py:798]
{rank 0/64} MD step = 232000 step time: 00:00:00.164976 Performance: 62.816 ns/day 0.382 hours/ns 3.635 steps/s 2024-05-08 12:00:51,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232000 46400 59.929 -32568 6568.2 -39136 -39136 -0.00034288 -0.00045717 -0.00019049 4.0464e+05 2024-05-08 12:01:07,255 INFO [main.py:798]
{rank 0/64} MD step = 232100 step time: 00:00:00.154601 Performance: 62.823 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 12:01:12,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232100 46420 61.134 -32398 6700.4 -39099 -39099 -0.00020954 -0.00022858 -5.7146e-05 4.048e+05 2024-05-08 12:01:29,066 INFO [main.py:798]
{rank 0/64} MD step = 232200 step time: 00:00:00.144253 Performance: 62.828 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 12:01:35,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232200 46440 59.483 -32575 6519.4 -39094 -39094 -0.00049527 -0.0004286 -0.00068575 4.0498e+05 2024-05-08 12:01:51,086 INFO [main.py:798]
{rank 0/64} MD step = 232300 step time: 00:00:00.161523 Performance: 62.834 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 12:01:57,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232300 46460 60.66 -32602 6648.4 -39251 -39251 0.00015239 -0.00047622 -0.00019049 4.0515e+05 2024-05-08 12:02:13,110 INFO [main.py:798]
{rank 0/64} MD step = 232400 step time: 00:00:00.158808 Performance: 62.839 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 12:02:19,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232400 46480 59.825 -32597 6556.9 -39154 -39154 0.00020954 0.00014763 -0.00036193 4.0531e+05 2024-05-08 12:02:34,323 INFO [main.py:798]
{rank 0/64} MD step = 232500 step time: 00:00:00.157582 Performance: 62.845 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 12:02:40,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232500 46500 59.817 -32542 6556 -39098 -39098 -0.00038097 -0.00060956 -0.00051431 4.0552e+05 2024-05-08 12:02:56,818 INFO [main.py:798]
{rank 0/64} MD step = 232600 step time: 00:00:00.158808 Performance: 62.850 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 12:03:03,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232600 46520 59.593 -32567 6531.4 -39098 -39098 -0.00051431 -0.00038097 -0.00064766 4.0569e+05 2024-05-08 12:03:18,813 INFO [main.py:798]
{rank 0/64} MD step = 232700 step time: 00:00:00.159241 Performance: 62.855 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 12:03:24,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232700 46540 60.115 -32480 6588.7 -39069 -39069 -7.6195e-05 -0.00056194 -9.5243e-06 4.0586e+05 2024-05-08 12:03:39,535 INFO [main.py:798]
{rank 0/64} MD step = 232800 step time: 00:00:00.159224 Performance: 62.862 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 12:03:47,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232800 46560 60.505 -32532 6631.4 -39163 -39163 7.6195e-05 -0.00045241 -3.8097e-05 4.0603e+05 2024-05-08 12:04:02,709 INFO [main.py:798]
{rank 0/64} MD step = 232900 step time: 00:00:00.168460 Performance: 62.866 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 12:04:08,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232900 46580 59.597 -32727 6531.9 -39259 -39259 -0.00022858 -0.00059051 -0.00050003 4.0619e+05 2024-05-08 12:04:24,250 INFO [main.py:798]
{rank 0/64} MD step = 233000 step time: 00:00:00.160709 Performance: 62.872 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 12:04:30,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233000 46600 60.621 -32575 6644.1 -39219 -39219 -0.00020954 -0.00026668 -0.00027621 4.0634e+05 2024-05-08 12:04:46,106 INFO [main.py:798]
{rank 0/64} MD step = 233100 step time: 00:00:00.155059 Performance: 62.878 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 12:04:52,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233100 46620 59.616 -32580 6534 -39114 -39114 -0.00016191 -0.00041907 -0.00055241 4.0653e+05 2024-05-08 12:05:08,403 INFO [main.py:798]
{rank 0/64} MD step = 233200 step time: 00:00:00.158835 Performance: 62.883 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 12:05:14,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233200 46640 60.641 -32556 6646.4 -39203 -39203 -0.00030478 -0.00044288 9.5243e-06 4.0669e+05 2024-05-08 12:05:29,835 INFO [main.py:798]
{rank 0/64} MD step = 233300 step time: 00:00:00.156147 Performance: 62.889 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 12:05:35,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233300 46660 60.556 -32533 6637 -39170 -39170 -0.00041907 -0.00041907 -0.00040002 4.0688e+05 2024-05-08 12:05:51,468 INFO [main.py:798]
{rank 0/64} MD step = 233400 step time: 00:00:00.160308 Performance: 62.894 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 12:06:01,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233400 46680 59.927 -32567 6568.1 -39135 -39135 -0.00041907 -0.00057146 -0.00038097 4.0706e+05 2024-05-08 12:06:17,330 INFO [main.py:798]
{rank 0/64} MD step = 233500 step time: 00:00:00.162517 Performance: 62.896 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 12:06:23,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233500 46700 60.418 -32603 6621.9 -39225 -39225 -0.00034288 -0.00041907 -0.00064766 4.0723e+05 2024-05-08 12:06:38,584 INFO [main.py:798]
{rank 0/64} MD step = 233600 step time: 00:00:00.139360 Performance: 62.902 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 12:06:47,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233600 46720 60.419 -32588 6622 -39210 -39210 -0.00017144 -0.00059051 -0.00019049 4.0739e+05 2024-05-08 12:07:03,830 INFO [main.py:798]
{rank 0/64} MD step = 233700 step time: 00:00:00.160181 Performance: 62.904 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 12:07:09,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233700 46740 59.973 -32537 6573.1 -39110 -39110 -0.00045717 -0.00043812 -0.00053574 4.0757e+05 2024-05-08 12:07:27,216 INFO [main.py:798]
{rank 0/64} MD step = 233800 step time: 00:00:00.156407 Performance: 62.908 ns/day 0.382 hours/ns 3.641 steps/s 2024-05-08 12:07:33,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233800 46760 59.474 -32578 6518.5 -39096 -39096 -5.7146e-05 -0.0003143 -0.00020715 4.0777e+05 2024-05-08 12:07:49,744 INFO [main.py:798]
{rank 0/64} MD step = 233900 step time: 00:00:00.159159 Performance: 62.913 ns/day 0.381 hours/ns 3.641 steps/s 2024-05-08 12:07:54,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233900 46780 60.905 -32531 6675.3 -39206 -39206 -0.00051431 -0.00053336 -0.00063337 4.079e+05 2024-05-08 12:08:10,685 INFO [main.py:798]
{rank 0/64} MD step = 234000 step time: 00:00:00.158252 Performance: 62.919 ns/day 0.381 hours/ns 3.641 steps/s 2024-05-08 12:08:15,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234000 46800 59.885 -32544 6563.5 -39108 -39108 -0.00049527 -0.00038097 -0.00052384 4.0809e+05 2024-05-08 12:08:31,717 INFO [main.py:798]
{rank 0/64} MD step = 234100 step time: 00:00:00.165732 Performance: 62.926 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 12:08:37,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234100 46820 60.798 -32596 6663.6 -39260 -39260 -0.00011429 -0.00053336 -9.5243e-05 4.0825e+05 2024-05-08 12:08:52,925 INFO [main.py:798]
{rank 0/64} MD step = 234200 step time: 00:00:00.159728 Performance: 62.932 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 12:09:05,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234200 46840 59.967 -32526 6572.4 -39099 -39099 -0.00023811 -0.00029049 -0.00058099 4.0842e+05 2024-05-08 12:09:24,725 INFO [main.py:798]
{rank 0/64} MD step = 234300 step time: 00:00:00.159875 Performance: 62.928 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 12:09:33,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234300 46860 60.686 -32462 6651.2 -39114 -39114 -0.00053336 -7.6195e-05 -0.00052384 4.0858e+05 2024-05-08 12:09:52,429 INFO [main.py:798]
{rank 0/64} MD step = 234400 step time: 00:00:00.146539 Performance: 62.927 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 12:09:59,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234400 46880 60.534 -32462 6634.6 -39097 -39097 -0.00022858 -0.00032383 -0.00028573 4.0875e+05 2024-05-08 12:10:15,939 INFO [main.py:798]
{rank 0/64} MD step = 234500 step time: 00:00:00.149450 Performance: 62.931 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 12:10:24,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234500 46900 60.075 -32523 6584.3 -39108 -39108 -0.00020954 -0.0003524 -0.00047622 4.0893e+05 2024-05-08 12:10:40,056 INFO [main.py:798]
{rank 0/64} MD step = 234600 step time: 00:00:00.156099 Performance: 62.935 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 12:10:46,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234600 46920 60.082 -32457 6585.1 -39042 -39042 -9.5243e-05 -0.00047622 -0.00048574 4.0912e+05 2024-05-08 12:11:02,166 INFO [main.py:798]
{rank 0/64} MD step = 234700 step time: 00:00:00.154040 Performance: 62.940 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 12:11:08,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234700 46940 59.187 -32782 6486.9 -39269 -39269 -0.00033335 -0.00048098 -0.00040002 4.0927e+05 2024-05-08 12:11:24,430 INFO [main.py:798]
{rank 0/64} MD step = 234800 step time: 00:00:00.149718 Performance: 62.945 ns/day 0.381 hours/ns 3.643 steps/s 2024-05-08 12:11:29,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234800 46960 60.159 -32698 6593.5 -39292 -39292 -0.00023335 -0.00050479 -0.00073576 4.0941e+05 2024-05-08 12:11:45,250 INFO [main.py:798]
{rank 0/64} MD step = 234900 step time: 00:00:00.157611 Performance: 62.951 ns/day 0.381 hours/ns 3.643 steps/s 2024-05-08 12:11:51,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234900 46980 59.54 -32629 6525.6 -39155 -39155 -0.00051431 -0.00037145 -0.00062861 4.096e+05 2024-05-08 12:12:07,692 INFO [main.py:798]
{rank 0/64} MD step = 235000 step time: 00:00:00.154519 Performance: 62.956 ns/day 0.381 hours/ns 3.643 steps/s 2024-05-08 12:12:15,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235000 47000 60.397 -32633 6619.6 -39252 -39252 -0.00026668 -0.00038097 -0.00064766 4.0976e+05 2024-05-08 12:12:31,799 INFO [main.py:798]
{rank 0/64} MD step = 235100 step time: 00:00:00.170454 Performance: 62.959 ns/day 0.381 hours/ns 3.643 steps/s 2024-05-08 12:12:36,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235100 47020 59.862 -32765 6560.9 -39326 -39326 -0.00021906 -0.00041907 -0.00047622 4.0991e+05 2024-05-08 12:12:52,564 INFO [main.py:798]
{rank 0/64} MD step = 235200 step time: 00:00:00.138881 Performance: 62.966 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 12:12:57,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235200 47040 59.186 -32635 6486.9 -39121 -39121 -0.00038097 3.8097e-05 -0.00057146 4.1013e+05 2024-05-08 12:13:14,729 INFO [main.py:798]
{rank 0/64} MD step = 235300 step time: 00:00:00.147192 Performance: 62.971 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 12:13:19,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235300 47060 60.766 -32555 6660 -39215 -39215 -0.00049527 -0.00034288 9.5243e-06 4.103e+05 2024-05-08 12:13:35,557 INFO [main.py:798]
{rank 0/64} MD step = 235400 step time: 00:00:00.194151 Performance: 62.978 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 12:13:40,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235400 47080 59.699 -32689 6543.1 -39232 -39232 -0.00032383 -0.00045717 -5.7146e-05 4.1047e+05 2024-05-08 12:13:56,011 INFO [main.py:798]
{rank 0/64} MD step = 235500 step time: 00:00:00.150767 Performance: 62.984 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 12:14:00,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235500 47100 61.427 -32481 6732.5 -39214 -39214 0.00016191 -0.00060956 -0.00017144 4.1061e+05 2024-05-08 12:14:18,055 INFO [main.py:798]
{rank 0/64} MD step = 235600 step time: 00:00:00.149140 Performance: 62.990 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 12:14:25,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235600 47120 60.778 -32567 6661.4 -39228 -39228 0.00013334 -0.0003905 -0.00057146 4.1081e+05 2024-05-08 12:14:41,310 INFO [main.py:798]
{rank 0/64} MD step = 235700 step time: 00:00:00.149502 Performance: 62.994 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 12:14:51,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235700 47140 60.06 -32732 6582.6 -39314 -39314 -0.00034288 -0.00043812 -3.8097e-05 4.1099e+05 2024-05-08 12:15:10,467 INFO [main.py:798]
{rank 0/64} MD step = 235800 step time: 00:00:00.144776 Performance: 62.992 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 12:15:16,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235800 47160 60.128 -32612 6590.1 -39202 -39202 -0.00027621 -0.0006667 3.8097e-05 4.1117e+05 2024-05-08 12:15:32,917 INFO [main.py:798]
{rank 0/64} MD step = 235900 step time: 00:00:00.155277 Performance: 62.997 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 12:15:40,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235900 47180 58.782 -32728 6442.6 -39171 -39171 0.00013334 -0.00057146 8.5719e-05 4.1136e+05 2024-05-08 12:15:55,559 INFO [main.py:798]
{rank 0/64} MD step = 236000 step time: 00:00:00.182153 Performance: 63.002 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 12:16:02,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236000 47200 61.646 -32494 6756.5 -39250 -39250 -0.00019049 -0.00034764 -0.00015239 4.1153e+05 2024-05-08 12:16:20,614 INFO [main.py:798]
{rank 0/64} MD step = 236100 step time: 00:00:00.163626 Performance: 63.004 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 12:16:26,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236100 47220 59.69 -32660 6542.1 -39202 -39202 -0.00026668 -0.00062861 -0.00038097 4.117e+05 2024-05-08 12:16:42,052 INFO [main.py:798]
{rank 0/64} MD step = 236200 step time: 00:00:00.147804 Performance: 63.010 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 12:16:48,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236200 47240 60.442 -32644 6624.5 -39268 -39268 -0.00026668 -0.00025716 -0.00064766 4.1183e+05 2024-05-08 12:17:04,446 INFO [main.py:798]
{rank 0/64} MD step = 236300 step time: 00:00:00.155538 Performance: 63.015 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 12:17:10,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236300 47260 60.538 -32656 6635 -39291 -39291 -0.0003143 -0.00066194 -0.0007048 4.1199e+05 2024-05-08 12:17:25,760 INFO [main.py:798]
{rank 0/64} MD step = 236400 step time: 00:00:00.161828 Performance: 63.021 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 12:17:31,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236400 47280 59.326 -32745 6502.2 -39248 -39248 -0.00019049 -0.00034288 -0.00041907 4.1219e+05 2024-05-08 12:17:47,714 INFO [main.py:798]
{rank 0/64} MD step = 236500 step time: 00:00:00.146043 Performance: 63.026 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 12:17:57,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236500 47300 60.579 -32406 6639.5 -39046 -39046 -0.00036193 -0.00034288 -0.00040955 4.1236e+05 2024-05-08 12:18:12,189 INFO [main.py:798]
{rank 0/64} MD step = 236600 step time: 00:00:00.146544 Performance: 63.029 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 12:18:17,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236600 47320 60.084 -32512 6585.3 -39097 -39097 -0.00030478 -0.00053336 -0.00041907 4.1254e+05 2024-05-08 12:18:33,393 INFO [main.py:798]
{rank 0/64} MD step = 236700 step time: 00:00:00.139695 Performance: 63.035 ns/day 0.381 hours/ns 3.648 steps/s 2024-05-08 12:18:38,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236700 47340 60.845 -32478 6668.7 -39147 -39147 -0.00045717 -0.0004286 -0.00041907 4.1269e+05 2024-05-08 12:18:55,896 INFO [main.py:798]
{rank 0/64} MD step = 236800 step time: 00:00:00.152028 Performance: 63.039 ns/day 0.381 hours/ns 3.648 steps/s 2024-05-08 12:19:03,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236800 47360 59.135 -32715 6481.3 -39197 -39197 -0.00038097 -0.00029049 -0.00053336 4.1287e+05 2024-05-08 12:19:19,289 INFO [main.py:798]
{rank 0/64} MD step = 236900 step time: 00:00:00.150954 Performance: 63.043 ns/day 0.381 hours/ns 3.648 steps/s 2024-05-08 12:19:24,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236900 47380 59.263 -32760 6495.3 -39256 -39256 -0.00030002 -0.00040955 -0.0002143 4.1303e+05 2024-05-08 12:19:40,477 INFO [main.py:798]
{rank 0/64} MD step = 237000 step time: 00:00:00.150994 Performance: 63.049 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 12:19:46,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237000 47400 59.746 -32550 6548.3 -39098 -39098 -0.00030478 -0.0003524 -0.00057146 4.1325e+05 2024-05-08 12:20:02,704 INFO [main.py:798]
{rank 0/64} MD step = 237100 step time: 00:00:00.138762 Performance: 63.054 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 12:20:07,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237100 47420 60.086 -32689 6585.5 -39274 -39274 -0.00032383 -0.00049527 -0.00011429 4.1341e+05 2024-05-08 12:20:24,206 INFO [main.py:798]
{rank 0/64} MD step = 237200 step time: 00:00:00.146967 Performance: 63.060 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 12:20:29,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237200 47440 60.959 -32423 6681.2 -39104 -39104 -0.00049527 -0.00058099 -0.00020001 4.1362e+05 2024-05-08 12:20:45,741 INFO [main.py:798]
{rank 0/64} MD step = 237300 step time: 00:00:00.151346 Performance: 63.066 ns/day 0.381 hours/ns 3.650 steps/s 2024-05-08 12:20:49,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237300 47460 60.504 -32558 6631.3 -39189 -39189 -0.00021906 -0.0003905 -0.00049527 4.1376e+05 2024-05-08 12:21:07,969 INFO [main.py:798]
{rank 0/64} MD step = 237400 step time: 00:00:00.157857 Performance: 63.071 ns/day 0.381 hours/ns 3.650 steps/s 2024-05-08 12:21:14,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237400 47480 60.224 -32548 6600.6 -39149 -39149 0.00032383 -0.00047622 -2.8573e-05 4.1395e+05 2024-05-08 12:21:30,266 INFO [main.py:798]
{rank 0/64} MD step = 237500 step time: 00:00:00.160652 Performance: 63.076 ns/day 0.380 hours/ns 3.650 steps/s 2024-05-08 12:21:35,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237500 47500 60.567 -32430 6638.2 -39068 -39068 -0.00020477 -0.00044764 -0.00020001 4.1415e+05 2024-05-08 12:21:51,439 INFO [main.py:798]
{rank 0/64} MD step = 237600 step time: 00:00:00.137787 Performance: 63.082 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 12:21:57,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237600 47520 60.105 -32549 6587.6 -39137 -39137 -0.00043812 -0.00057146 -0.00022858 4.143e+05 2024-05-08 12:22:13,635 INFO [main.py:798]
{rank 0/64} MD step = 237700 step time: 00:00:00.151637 Performance: 63.087 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 12:22:21,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237700 47540 60.267 -32515 6605.3 -39121 -39121 -0.00050003 -0.00040002 -0.00010477 4.1448e+05 2024-05-08 12:22:39,385 INFO [main.py:798]
{rank 0/64} MD step = 237800 step time: 00:00:00.149748 Performance: 63.088 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 12:22:45,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237800 47560 59.922 -32521 6567.5 -39089 -39089 -0.00034288 5.7146e-05 -8.5719e-05 4.1467e+05 2024-05-08 12:23:00,934 INFO [main.py:798]
{rank 0/64} MD step = 237900 step time: 00:00:00.166987 Performance: 63.094 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 12:23:06,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237900 47580 59.256 -32619 6494.5 -39114 -39114 -0.0003524 -0.00030478 -0.00022858 4.1484e+05 2024-05-08 12:23:22,281 INFO [main.py:798]
{rank 0/64} MD step = 238000 step time: 00:00:00.152901 Performance: 63.100 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 12:23:28,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238000 47600 59.965 -32569 6572.2 -39141 -39141 -0.00028573 -0.00052384 -0.00041907 4.15e+05 2024-05-08 12:23:44,456 INFO [main.py:798]
{rank 0/64} MD step = 238100 step time: 00:00:00.154355 Performance: 63.105 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 12:23:50,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238100 47620 58.971 -32634 6463.3 -39097 -39097 -0.00040002 -0.0003905 -0.00051431 4.152e+05 2024-05-08 12:24:07,059 INFO [main.py:798]
{rank 0/64} MD step = 238200 step time: 00:00:00.152511 Performance: 63.110 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 12:24:12,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238200 47640 60.096 -32576 6586.6 -39163 -39163 -0.00032383 -0.00027621 0 4.1537e+05 2024-05-08 12:24:28,652 INFO [main.py:798]
{rank 0/64} MD step = 238300 step time: 00:00:00.160467 Performance: 63.115 ns/day 0.380 hours/ns 3.653 steps/s 2024-05-08 12:24:34,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238300 47660 60.546 -32586 6635.9 -39222 -39222 -0.00038097 -0.00041907 -0.00043812 4.1553e+05 2024-05-08 12:24:50,108 INFO [main.py:798]
{rank 0/64} MD step = 238400 step time: 00:00:00.163329 Performance: 63.121 ns/day 0.380 hours/ns 3.653 steps/s 2024-05-08 12:24:55,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238400 47680 60.403 -32629 6620.2 -39250 -39250 -0.00015239 -0.00044288 -0.0003524 4.1569e+05 2024-05-08 12:25:12,890 INFO [main.py:798]
{rank 0/64} MD step = 238500 step time: 00:00:00.158626 Performance: 63.125 ns/day 0.380 hours/ns 3.653 steps/s 2024-05-08 12:25:18,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238500 47700 60.527 -32486 6633.9 -39120 -39120 -0.00047622 -0.00076195 -0.00049527 4.1586e+05 2024-05-08 12:25:35,327 INFO [main.py:798]
{rank 0/64} MD step = 238600 step time: 00:00:00.166491 Performance: 63.130 ns/day 0.380 hours/ns 3.653 steps/s 2024-05-08 12:25:40,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238600 47720 60.885 -32440 6673.1 -39113 -39113 -0.00026668 -0.00044288 -0.00022382 4.1604e+05 2024-05-08 12:25:56,657 INFO [main.py:798]
{rank 0/64} MD step = 238700 step time: 00:00:00.170255 Performance: 63.136 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 12:26:03,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238700 47740 59.625 -32621 6535 -39156 -39156 -0.00015239 -0.00043812 1.9049e-05 4.1621e+05 2024-05-08 12:26:19,696 INFO [main.py:798]
{rank 0/64} MD step = 238800 step time: 00:00:00.145751 Performance: 63.140 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 12:26:24,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238800 47760 59.096 -32795 6476.9 -39272 -39272 -0.0003143 -0.00032383 -0.00063813 4.1639e+05 2024-05-08 12:26:42,286 INFO [main.py:798]
{rank 0/64} MD step = 238900 step time: 00:00:00.143562 Performance: 63.145 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 12:26:48,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238900 47780 60.584 -32430 6640 -39070 -39070 0.00017144 -0.0003905 -0.00013334 4.1659e+05 2024-05-08 12:27:04,442 INFO [main.py:798]
{rank 0/64} MD step = 239000 step time: 00:00:00.143462 Performance: 63.150 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 12:27:18,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239000 47800 59.682 -32603 6541.3 -39145 -39145 -0.00026668 -0.00041907 -0.00044288 4.1674e+05 2024-05-08 12:27:34,856 INFO [main.py:798]
{rank 0/64} MD step = 239100 step time: 00:00:00.154199 Performance: 63.147 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 12:27:40,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239100 47820 59.816 -32807 6555.9 -39363 -39363 -0.00033335 -0.00036193 -0.00054289 4.1688e+05 2024-05-08 12:27:56,740 INFO [main.py:798]
{rank 0/64} MD step = 239200 step time: 00:00:00.158965 Performance: 63.152 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 12:28:01,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239200 47840 60.6 -32585 6641.8 -39227 -39227 -0.00032383 -0.00055241 -0.00041907 4.1709e+05 2024-05-08 12:28:17,958 INFO [main.py:798]
{rank 0/64} MD step = 239300 step time: 00:00:00.152291 Performance: 63.158 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 12:28:24,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239300 47860 60.291 -32484 6608 -39092 -39092 -0.00036193 -0.00041907 -0.00054289 4.1728e+05 2024-05-08 12:28:40,783 INFO [main.py:798]
{rank 0/64} MD step = 239400 step time: 00:00:00.152995 Performance: 63.162 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 12:28:45,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239400 47880 59.707 -32545 6544 -39089 -39089 -0.00029525 -0.00045717 -0.00041907 4.1746e+05 2024-05-08 12:29:03,523 INFO [main.py:798]
{rank 0/64} MD step = 239500 step time: 00:00:00.159084 Performance: 63.167 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 12:29:11,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239500 47900 60.118 -32507 6589 -39096 -39096 -0.00032383 -0.00030478 -0.00053336 4.1764e+05 2024-05-08 12:29:27,585 INFO [main.py:798]
{rank 0/64} MD step = 239600 step time: 00:00:00.152380 Performance: 63.170 ns/day 0.380 hours/ns 3.656 steps/s 2024-05-08 12:29:32,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239600 47920 59.866 -32613 6561.4 -39174 -39174 -0.00026668 -0.00038097 -0.00045717 4.1783e+05 2024-05-08 12:29:50,313 INFO [main.py:798]
{rank 0/64} MD step = 239700 step time: 00:00:00.158810 Performance: 63.175 ns/day 0.380 hours/ns 3.656 steps/s 2024-05-08 12:29:56,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239700 47940 59.619 -32716 6534.4 -39250 -39250 -0.00022144 -0.00056194 7.6195e-05 4.1798e+05 2024-05-08 12:30:12,304 INFO [main.py:798]
{rank 0/64} MD step = 239800 step time: 00:00:00.163094 Performance: 63.180 ns/day 0.380 hours/ns 3.656 steps/s 2024-05-08 12:30:16,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239800 47960 58.82 -32692 6446.7 -39139 -39139 -0.00028573 -0.00045717 -0.00064766 4.1814e+05 2024-05-08 12:30:33,524 INFO [main.py:798]
{rank 0/64} MD step = 239900 step time: 00:00:00.155457 Performance: 63.186 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 12:30:41,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239900 47980 60.79 -32493 6662.6 -39156 -39156 -0.00030478 -0.00040955 -0.00064766 4.1832e+05 2024-05-08 12:30:57,003 INFO [main.py:798]
{rank 0/64} MD step = 240000 step time: 00:00:00.159716 Performance: 63.189 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 12:31:05,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240000 48000 60.676 -32509 6650.2 -39159 -39159 -0.00038097 -0.00028573 -0.00057146 4.185e+05 2024-05-08 12:31:21,214 INFO [main.py:798]
{rank 0/64} MD step = 240100 step time: 00:00:00.167673 Performance: 63.192 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 12:31:27,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240100 48020 60.149 -32450 6592.4 -39042 -39042 -0.00049527 -0.00045717 -0.00045717 4.1869e+05 2024-05-08 12:31:43,274 INFO [main.py:798]
{rank 0/64} MD step = 240200 step time: 00:00:00.161831 Performance: 63.197 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 12:31:48,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240200 48040 60.916 -32469 6676.5 -39145 -39145 -0.00025716 -0.00034764 -0.00061908 4.1883e+05 2024-05-08 12:32:04,573 INFO [main.py:798]
{rank 0/64} MD step = 240300 step time: 00:00:00.161614 Performance: 63.203 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 12:32:11,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240300 48060 59.458 -32703 6516.6 -39219 -39219 -0.00020954 -0.00045717 -0.00013334 4.1898e+05 2024-05-08 12:32:28,051 INFO [main.py:798]
{rank 0/64} MD step = 240400 step time: 00:00:00.157595 Performance: 63.207 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 12:32:34,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240400 48080 59.187 -32613 6487 -39100 -39100 0.00024763 -0.00062861 -0.00038097 4.1917e+05 2024-05-08 12:32:50,687 INFO [main.py:798]
{rank 0/64} MD step = 240500 step time: 00:00:00.158617 Performance: 63.212 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 12:32:57,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240500 48100 60.172 -32514 6595 -39109 -39109 -0.00040002 -0.00044764 2.8573e-05 4.1935e+05 2024-05-08 12:33:13,296 INFO [main.py:798]
{rank 0/64} MD step = 240600 step time: 00:00:00.159338 Performance: 63.216 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 12:33:20,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240600 48120 60.645 -32462 6646.7 -39108 -39108 -0.00037145 -0.00028573 -0.00055241 4.1955e+05 2024-05-08 12:33:36,325 INFO [main.py:798]
{rank 0/64} MD step = 240700 step time: 00:00:00.156669 Performance: 63.220 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 12:33:42,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240700 48140 60.531 -32525 6634.3 -39159 -39159 -0.0004286 -0.00028573 -0.00022858 4.1969e+05 2024-05-08 12:33:57,857 INFO [main.py:798]
{rank 0/64} MD step = 240800 step time: 00:00:00.162034 Performance: 63.226 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 12:34:05,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240800 48160 59.726 -32653 6546 -39199 -39199 -0.00013334 -0.00064766 -0.00024763 4.1986e+05 2024-05-08 12:34:21,586 INFO [main.py:798]
{rank 0/64} MD step = 240900 step time: 00:00:00.158927 Performance: 63.229 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 12:34:26,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240900 48180 60.332 -32609 6612.4 -39221 -39221 0.00015239 -0.00045717 0.00013334 4.2004e+05 2024-05-08 12:34:42,385 INFO [main.py:798]
{rank 0/64} MD step = 241000 step time: 00:00:00.158925 Performance: 63.236 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 12:34:50,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241000 48200 60.127 -32558 6590 -39148 -39148 -0.00028573 -0.00022858 -0.00060956 4.2021e+05 2024-05-08 12:35:06,821 INFO [main.py:798]
{rank 0/64} MD step = 241100 step time: 00:00:00.157478 Performance: 63.238 ns/day 0.380 hours/ns 3.660 steps/s 2024-05-08 12:35:12,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241100 48220 59.724 -32712 6545.8 -39258 -39258 -0.00052384 -0.0003524 -0.00053336 4.204e+05 2024-05-08 12:35:27,538 INFO [main.py:798]
{rank 0/64} MD step = 241200 step time: 00:00:00.150496 Performance: 63.245 ns/day 0.379 hours/ns 3.660 steps/s 2024-05-08 12:35:37,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241200 48240 59.335 -32603 6503.2 -39106 -39106 -0.00041907 -0.00032383 -0.00053336 4.2057e+05 2024-05-08 12:35:58,477 INFO [main.py:798]
{rank 0/64} MD step = 241300 step time: 00:00:00.153432 Performance: 63.241 ns/day 0.379 hours/ns 3.660 steps/s 2024-05-08 12:36:05,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241300 48260 59.144 -32682 6482.3 -39165 -39165 -0.00047622 -0.00068575 -0.00076195 4.2077e+05 2024-05-08 12:36:21,265 INFO [main.py:798]
{rank 0/64} MD step = 241400 step time: 00:00:00.138487 Performance: 63.245 ns/day 0.379 hours/ns 3.660 steps/s 2024-05-08 12:36:27,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241400 48280 58.893 -32673 6454.7 -39128 -39128 -0.00027621 -0.00043812 -0.00022858 4.2093e+05 2024-05-08 12:36:44,541 INFO [main.py:798]
{rank 0/64} MD step = 241500 step time: 00:00:00.153511 Performance: 63.249 ns/day 0.379 hours/ns 3.660 steps/s 2024-05-08 12:36:50,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241500 48300 59.953 -32458 6570.9 -39029 -39029 -0.00037145 -0.00022858 -0.00016191 4.2112e+05 2024-05-08 12:37:05,520 INFO [main.py:798]
{rank 0/64} MD step = 241600 step time: 00:00:00.177258 Performance: 63.255 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 12:37:11,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241600 48320 59.209 -32619 6489.4 -39109 -39109 -0.00026668 -0.00048574 -0.00045717 4.2129e+05 2024-05-08 12:37:27,462 INFO [main.py:798]
{rank 0/64} MD step = 241700 step time: 00:00:00.146230 Performance: 63.261 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 12:37:33,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241700 48340 60.161 -32579 6593.7 -39173 -39173 -0.00036193 -0.00026668 -0.00041907 4.2146e+05 2024-05-08 12:37:49,597 INFO [main.py:798]
{rank 0/64} MD step = 241800 step time: 00:00:00.155089 Performance: 63.266 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 12:37:55,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241800 48360 60.128 -32608 6590.1 -39198 -39198 -0.00046669 -0.00038097 -0.00051431 4.2159e+05 2024-05-08 12:38:11,668 INFO [main.py:798]
{rank 0/64} MD step = 241900 step time: 00:00:00.149824 Performance: 63.271 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 12:38:17,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241900 48380 60.062 -32619 6582.8 -39202 -39202 -7.6195e-05 -0.00032383 -0.00053336 4.2177e+05 2024-05-08 12:38:33,326 INFO [main.py:798]
{rank 0/64} MD step = 242000 step time: 00:00:00.160955 Performance: 63.276 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 12:38:38,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242000 48400 60.8 -32486 6663.8 -39150 -39150 -0.00028573 -0.00041907 -0.00045717 4.2193e+05 2024-05-08 12:38:56,298 INFO [main.py:798]
{rank 0/64} MD step = 242100 step time: 00:00:00.164994 Performance: 63.280 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 12:39:02,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242100 48420 59.764 -32494 6550.2 -39044 -39044 -0.00034288 -0.00034288 -0.00068575 4.2214e+05 2024-05-08 12:39:19,368 INFO [main.py:798]
{rank 0/64} MD step = 242200 step time: 00:00:00.159946 Performance: 63.284 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 12:39:25,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242200 48440 59.482 -32773 6519.3 -39292 -39292 -0.00041907 -0.00044764 -0.00040002 4.2226e+05 2024-05-08 12:39:40,853 INFO [main.py:798]
{rank 0/64} MD step = 242300 step time: 00:00:00.163897 Performance: 63.290 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 12:39:48,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242300 48460 59.999 -32618 6576 -39194 -39194 -0.00017144 -0.00053336 -0.00049527 4.2246e+05 2024-05-08 12:40:04,472 INFO [main.py:798]
{rank 0/64} MD step = 242400 step time: 00:00:00.167069 Performance: 63.293 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 12:40:10,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242400 48480 59.463 -32437 6517.2 -38955 -38955 -0.00040002 -0.00041907 -0.00060956 4.2267e+05 2024-05-08 12:40:27,021 INFO [main.py:798]
{rank 0/64} MD step = 242500 step time: 00:00:00.146530 Performance: 63.298 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 12:40:31,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242500 48500 60.438 -32444 6624 -39069 -39069 -0.00013334 -0.00045717 -0.00041907 4.2283e+05 2024-05-08 12:40:48,564 INFO [main.py:798]
{rank 0/64} MD step = 242600 step time: 00:00:00.156959 Performance: 63.303 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 12:40:54,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242600 48520 60.238 -32485 6602.2 -39087 -39087 -0.00033335 -0.00041907 -6.667e-05 4.2301e+05 2024-05-08 12:41:09,842 INFO [main.py:798]
{rank 0/64} MD step = 242700 step time: 00:00:00.160970 Performance: 63.309 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 12:41:17,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242700 48540 59.57 -32514 6529 -39043 -39043 -0.00033335 -0.00019049 -0.00040002 4.2321e+05 2024-05-08 12:41:33,338 INFO [main.py:798]
{rank 0/64} MD step = 242800 step time: 00:00:00.148674 Performance: 63.313 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 12:41:39,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242800 48560 59.916 -32584 6566.8 -39151 -39151 -0.00030478 -0.00035478 -0.00022858 4.2337e+05 2024-05-08 12:41:55,755 INFO [main.py:798]
{rank 0/64} MD step = 242900 step time: 00:00:00.148762 Performance: 63.317 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 12:42:01,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242900 48580 59.955 -32498 6571.2 -39070 -39070 -0.00036193 -0.00038097 1.9049e-05 4.2352e+05 2024-05-08 12:42:18,039 INFO [main.py:798]
{rank 0/64} MD step = 243000 step time: 00:00:00.155236 Performance: 63.322 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 12:42:23,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243000 48600 59.973 -32569 6573.2 -39142 -39142 -0.00030954 -0.00053336 -4.7622e-05 4.2368e+05 2024-05-08 12:42:39,276 INFO [main.py:798]
{rank 0/64} MD step = 243100 step time: 00:00:00.157217 Performance: 63.328 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 12:42:44,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243100 48620 59.935 -32576 6568.9 -39145 -39145 -0.00026668 -0.00039526 -0.00057146 4.2388e+05 2024-05-08 12:43:00,886 INFO [main.py:798]
{rank 0/64} MD step = 243200 step time: 00:00:00.173548 Performance: 63.333 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 12:43:06,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243200 48640 60.236 -32624 6601.9 -39226 -39226 -0.00033335 -0.00064766 -0.00068575 4.2404e+05 2024-05-08 12:43:23,458 INFO [main.py:798]
{rank 0/64} MD step = 243300 step time: 00:00:00.168709 Performance: 63.338 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 12:43:29,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243300 48660 59.529 -32650 6524.5 -39175 -39175 0.00026668 -0.00015239 -0.00020954 4.2422e+05 2024-05-08 12:43:45,606 INFO [main.py:798]
{rank 0/64} MD step = 243400 step time: 00:00:00.205856 Performance: 63.343 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 12:43:52,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243400 48680 59.641 -32579 6536.7 -39115 -39115 -0.00034288 -0.00047622 -0.00030478 4.2443e+05 2024-05-08 12:44:07,829 INFO [main.py:798]
{rank 0/64} MD step = 243500 step time: 00:00:00.172300 Performance: 63.348 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 12:44:16,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243500 48700 59.867 -32520 6561.5 -39081 -39081 -0.00057146 -0.00047622 -0.00053336 4.2461e+05 2024-05-08 12:44:31,536 INFO [main.py:798]
{rank 0/64} MD step = 243600 step time: 00:00:00.163262 Performance: 63.351 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 12:44:37,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243600 48720 60.19 -32547 6596.9 -39144 -39144 -0.00019049 -0.00040002 -2.8573e-05 4.248e+05 2024-05-08 12:44:53,216 INFO [main.py:798]
{rank 0/64} MD step = 243700 step time: 00:00:00.167034 Performance: 63.356 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 12:45:02,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243700 48740 60.697 -32479 6652.5 -39132 -39132 0.00020954 -0.00038097 -0.00072385 4.2499e+05 2024-05-08 12:45:18,955 INFO [main.py:798]
{rank 0/64} MD step = 243800 step time: 00:00:00.164037 Performance: 63.358 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 12:45:29,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243800 48760 59.786 -32611 6552.7 -39164 -39164 -0.00040002 -0.00046431 -0.000781 4.2512e+05 2024-05-08 12:45:46,089 INFO [main.py:798]
{rank 0/64} MD step = 243900 step time: 00:00:00.151385 Performance: 63.358 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 12:45:51,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243900 48780 59.701 -32619 6543.3 -39162 -39162 -4.7622e-06 -0.00043812 -0.00051431 4.253e+05 2024-05-08 12:46:08,620 INFO [main.py:798]
{rank 0/64} MD step = 244000 step time: 00:00:00.151446 Performance: 63.362 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 12:46:13,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244000 48800 60.688 -32522 6651.4 -39174 -39174 -0.00046193 -0.00018096 -0.00048574 4.2548e+05 2024-05-08 12:46:30,778 INFO [main.py:798]
{rank 0/64} MD step = 244100 step time: 00:00:00.159798 Performance: 63.367 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 12:46:37,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244100 48820 60.133 -32571 6590.7 -39162 -39162 -0.00022858 -0.00041907 -0.00068575 4.2564e+05 2024-05-08 12:46:53,478 INFO [main.py:798]
{rank 0/64} MD step = 244200 step time: 00:00:00.148137 Performance: 63.372 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 12:47:04,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244200 48840 59.823 -32706 6556.7 -39262 -39262 0.00020954 -0.00051431 -0.00041907 4.2582e+05 2024-05-08 12:47:20,599 INFO [main.py:798]
{rank 0/64} MD step = 244300 step time: 00:00:00.156113 Performance: 63.372 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 12:47:28,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244300 48860 60.077 -32607 6584.5 -39192 -39192 -9.5243e-05 -0.00036193 -0.00038097 4.2599e+05 2024-05-08 12:47:45,121 INFO [main.py:798]
{rank 0/64} MD step = 244400 step time: 00:00:00.148953 Performance: 63.374 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 12:47:51,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244400 48880 60.719 -32557 6654.9 -39212 -39212 0.00026668 -0.00037145 -0.00055241 4.2616e+05 2024-05-08 12:48:06,877 INFO [main.py:798]
{rank 0/64} MD step = 244500 step time: 00:00:00.148319 Performance: 63.380 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 12:48:13,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244500 48900 60.901 -32459 6674.9 -39134 -39134 -0.00024763 -0.00045717 0 4.2634e+05 2024-05-08 12:48:29,236 INFO [main.py:798]
{rank 0/64} MD step = 244600 step time: 00:00:00.142799 Performance: 63.384 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 12:48:35,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244600 48920 61.13 -32592 6699.9 -39292 -39292 -0.00048574 -0.00049527 -0.00065242 4.265e+05 2024-05-08 12:48:51,975 INFO [main.py:798]
{rank 0/64} MD step = 244700 step time: 00:00:00.146200 Performance: 63.389 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 12:48:57,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244700 48940 60.037 -32683 6580.1 -39263 -39263 -0.00049527 -0.0003905 -0.00045717 4.2669e+05 2024-05-08 12:49:15,139 INFO [main.py:798]
{rank 0/64} MD step = 244800 step time: 00:00:00.152593 Performance: 63.392 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 12:49:21,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244800 48960 60.297 -32552 6608.6 -39161 -39161 -0.00020954 -0.00077147 -0.00043812 4.2685e+05 2024-05-08 12:49:38,311 INFO [main.py:798]
{rank 0/64} MD step = 244900 step time: 00:00:00.156160 Performance: 63.396 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 12:49:45,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244900 48980 61.08 -32462 6694.5 -39156 -39156 -0.00038097 -0.00043812 -0.0007048 4.2704e+05 2024-05-08 12:50:01,862 INFO [main.py:798]
{rank 0/64} MD step = 245000 step time: 00:00:00.150572 Performance: 63.400 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 12:50:08,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245000 49000 59.993 -32507 6575.3 -39082 -39082 -0.00038097 -0.00061908 -0.00060003 4.272e+05 2024-05-08 12:50:24,337 INFO [main.py:798]
{rank 0/64} MD step = 245100 step time: 00:00:00.151522 Performance: 63.404 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 12:50:31,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245100 49020 60.032 -32599 6579.5 -39178 -39178 -5.7146e-05 -0.00032383 -0.00025716 4.2737e+05 2024-05-08 12:50:46,633 INFO [main.py:798]
{rank 0/64} MD step = 245200 step time: 00:00:00.153767 Performance: 63.409 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 12:50:52,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245200 49040 60.548 -32503 6636.2 -39139 -39139 -0.00030478 -0.0003524 -0.00032383 4.2756e+05 2024-05-08 12:51:08,523 INFO [main.py:798]
{rank 0/64} MD step = 245300 step time: 00:00:00.165951 Performance: 63.414 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 12:51:13,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245300 49060 60.242 -32532 6602.5 -39134 -39134 -0.0003524 -0.00041907 -0.00027144 4.2772e+05 2024-05-08 12:51:28,901 INFO [main.py:798]
{rank 0/64} MD step = 245400 step time: 00:00:00.159269 Performance: 63.421 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 12:51:34,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245400 49080 60.498 -32481 6630.6 -39112 -39112 -0.00026668 -0.00033335 -0.00053336 4.2787e+05 2024-05-08 12:51:50,739 INFO [main.py:798]
{rank 0/64} MD step = 245500 step time: 00:00:00.155285 Performance: 63.426 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 12:51:56,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245500 49100 60.397 -32558 6619.6 -39178 -39178 -0.00026668 -0.00055241 -0.00030478 4.2806e+05 2024-05-08 12:52:12,872 INFO [main.py:798]
{rank 0/64} MD step = 245600 step time: 00:00:00.158042 Performance: 63.431 ns/day 0.378 hours/ns 3.671 steps/s 2024-05-08 12:52:20,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245600 49120 59.621 -32543 6534.6 -39077 -39077 -0.00045241 -0.00046669 -0.00052384 4.2823e+05 2024-05-08 12:52:35,693 INFO [main.py:798]
{rank 0/64} MD step = 245700 step time: 00:00:00.157663 Performance: 63.435 ns/day 0.378 hours/ns 3.671 steps/s 2024-05-08 12:52:45,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245700 49140 59.811 -32506 6555.4 -39062 -39062 -0.00038097 -0.00028097 -0.00058099 4.2841e+05 2024-05-08 12:53:01,356 INFO [main.py:798]
{rank 0/64} MD step = 245800 step time: 00:00:00.161758 Performance: 63.436 ns/day 0.378 hours/ns 3.671 steps/s 2024-05-08 12:53:07,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245800 49160 59.43 -32646 6513.7 -39160 -39160 -0.00053336 -0.00030478 -0.00017144 4.2857e+05 2024-05-08 12:53:23,384 INFO [main.py:798]
{rank 0/64} MD step = 245900 step time: 00:00:00.149368 Performance: 63.441 ns/day 0.378 hours/ns 3.671 steps/s 2024-05-08 12:53:29,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245900 49180 60.474 -32338 6628.1 -38966 -38966 -0.00041907 -0.00072385 -0.00036193 4.2875e+05 2024-05-08 12:53:44,671 INFO [main.py:798]
{rank 0/64} MD step = 246000 step time: 00:00:00.163917 Performance: 63.447 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 12:53:50,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246000 49200 60.223 -32526 6600.5 -39127 -39127 -0.00038097 -0.00038097 -4.7622e-05 4.2891e+05 2024-05-08 12:54:05,390 INFO [main.py:798]
{rank 0/64} MD step = 246100 step time: 00:00:00.167849 Performance: 63.453 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 12:54:14,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246100 49220 60.201 -32488 6598.1 -39086 -39086 -0.00028573 -0.00057146 -0.00032383 4.2908e+05 2024-05-08 12:54:29,760 INFO [main.py:798]
{rank 0/64} MD step = 246200 step time: 00:00:00.169095 Performance: 63.456 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 12:54:37,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246200 49240 59.41 -32601 6511.4 -39113 -39113 -0.00013334 -0.00045717 -0.0006667 4.2927e+05 2024-05-08 12:54:53,639 INFO [main.py:798]
{rank 0/64} MD step = 246300 step time: 00:00:00.155545 Performance: 63.459 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 12:54:59,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246300 49260 60.637 -32446 6645.9 -39092 -39092 -0.00034288 -0.00055241 -0.00062861 4.2943e+05 2024-05-08 12:55:17,317 INFO [main.py:798]
{rank 0/64} MD step = 246400 step time: 00:00:00.149305 Performance: 63.462 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 12:55:24,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246400 49280 59.667 -32586 6539.5 -39126 -39126 -0.00038097 -0.00045717 -0.00045717 4.2958e+05 2024-05-08 12:55:40,587 INFO [main.py:798]
{rank 0/64} MD step = 246500 step time: 00:00:00.157237 Performance: 63.466 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 12:55:46,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246500 49300 60.455 -32613 6625.9 -39239 -39239 -0.00026668 -0.00038097 -0.00053336 4.2978e+05 2024-05-08 12:56:02,481 INFO [main.py:798]
{rank 0/64} MD step = 246600 step time: 00:00:00.162895 Performance: 63.471 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 12:56:11,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 49320 59.465 -32600 6517.4 -39118 -39118 -0.00030478 -0.00044288 -0.00049527 4.2996e+05 2024-05-08 12:56:27,725 INFO [main.py:798]
{rank 0/64} MD step = 246700 step time: 00:00:00.158996 Performance: 63.473 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 12:56:35,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246700 49340 60.083 -32692 6585.2 -39278 -39278 -0.00022858 -0.00040002 -3.8097e-05 4.3013e+05 2024-05-08 12:56:56,709 INFO [main.py:798]
{rank 0/64} MD step = 246800 step time: 00:00:00.156120 Performance: 63.471 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 12:57:02,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246800 49360 61.014 -32527 6687.2 -39215 -39215 -0.00040002 -0.00059051 -0.00046669 4.3031e+05 2024-05-08 12:57:18,832 INFO [main.py:798]
{rank 0/64} MD step = 246900 step time: 00:00:00.166995 Performance: 63.476 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 12:57:25,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246900 49380 60.159 -32550 6593.5 -39144 -39144 -0.00054289 -0.00038097 -0.00080005 4.3051e+05 2024-05-08 12:57:41,134 INFO [main.py:798]
{rank 0/64} MD step = 247000 step time: 00:00:00.150678 Performance: 63.481 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 12:57:47,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247000 49400 60.112 -32536 6588.3 -39124 -39124 -0.00021906 -0.0004286 -0.000781 4.3067e+05 2024-05-08 12:58:03,551 INFO [main.py:798]
{rank 0/64} MD step = 247100 step time: 00:00:00.152884 Performance: 63.485 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 12:58:11,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247100 49420 60.142 -32520 6591.7 -39112 -39112 -0.00015239 -0.00040002 -0.00019049 4.3084e+05 2024-05-08 12:58:26,919 INFO [main.py:798]
{rank 0/64} MD step = 247200 step time: 00:00:00.165985 Performance: 63.489 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 12:58:38,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247200 49440 59.963 -32580 6572 -39152 -39152 -0.00043812 -0.00059527 -9.0481e-05 4.3099e+05 2024-05-08 12:58:53,738 INFO [main.py:798]
{rank 0/64} MD step = 247300 step time: 00:00:00.142164 Performance: 63.489 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 12:58:59,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247300 49460 60.777 -32487 6661.2 -39148 -39148 -0.00017144 -0.00028573 -0.00016668 4.3116e+05 2024-05-08 12:59:17,456 INFO [main.py:798]
{rank 0/64} MD step = 247400 step time: 00:00:00.153107 Performance: 63.493 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 12:59:25,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247400 49480 59.839 -32582 6558.5 -39140 -39140 -0.00028573 -0.00043812 -0.00060003 4.3134e+05 2024-05-08 12:59:42,124 INFO [main.py:798]
{rank 0/64} MD step = 247500 step time: 00:00:00.145459 Performance: 63.495 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 12:59:50,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247500 49500 60.373 -32562 6617 -39179 -39179 -0.00041907 -0.00034288 3.3335e-05 4.3154e+05 2024-05-08 13:00:06,914 INFO [main.py:798]
{rank 0/64} MD step = 247600 step time: 00:00:00.143328 Performance: 63.497 ns/day 0.378 hours/ns 3.675 steps/s 2024-05-08 13:00:11,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247600 49520 60.33 -32579 6612.3 -39191 -39191 -2.8573e-05 -0.00034288 -0.00062504 4.317e+05 2024-05-08 13:00:28,105 INFO [main.py:798]
{rank 0/64} MD step = 247700 step time: 00:00:00.157139 Performance: 63.503 ns/day 0.378 hours/ns 3.675 steps/s 2024-05-08 13:00:34,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247700 49540 59.857 -32580 6560.4 -39140 -39140 -0.0003524 -0.00038097 -0.00019049 4.319e+05 2024-05-08 13:00:50,783 INFO [main.py:798]
{rank 0/64} MD step = 247800 step time: 00:00:00.154532 Performance: 63.507 ns/day 0.378 hours/ns 3.675 steps/s 2024-05-08 13:00:56,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247800 49560 60.028 -32729 6579.2 -39308 -39308 -0.00034288 -0.00047622 1.9049e-05 4.3204e+05 2024-05-08 13:01:12,235 INFO [main.py:798]
{rank 0/64} MD step = 247900 step time: 00:00:00.151349 Performance: 63.513 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 13:01:18,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247900 49580 60.911 -32505 6676 -39181 -39181 -0.00036193 -0.0003524 -0.00013334 4.3227e+05 2024-05-08 13:01:34,480 INFO [main.py:798]
{rank 0/64} MD step = 248000 step time: 00:00:00.163085 Performance: 63.517 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 13:01:41,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248000 49600 59.371 -32672 6507.2 -39179 -39179 -0.00062861 -0.00061908 -0.00062861 4.3247e+05 2024-05-08 13:01:57,148 INFO [main.py:798]
{rank 0/64} MD step = 248100 step time: 00:00:00.162707 Performance: 63.522 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 13:02:13,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248100 49620 59.529 -32568 6524.4 -39092 -39092 -0.00011429 -0.00072385 -0.00049527 4.3266e+05 2024-05-08 13:02:30,411 INFO [main.py:798]
{rank 0/64} MD step = 248200 step time: 00:00:00.162639 Performance: 63.516 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 13:02:36,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248200 49640 60.39 -32603 6618.8 -39222 -39222 -0.00043812 -0.00041907 -0.00052384 4.3282e+05 2024-05-08 13:02:52,838 INFO [main.py:798]
{rank 0/64} MD step = 248300 step time: 00:00:00.159115 Performance: 63.520 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 13:02:59,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248300 49660 60.506 -32431 6631.5 -39062 -39062 -0.00020954 -0.00040955 -0.0002524 4.3301e+05 2024-05-08 13:03:15,522 INFO [main.py:798]
{rank 0/64} MD step = 248400 step time: 00:00:00.184733 Performance: 63.525 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 13:03:22,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248400 49680 60.905 -32481 6675.2 -39156 -39156 -0.00052384 -0.00034288 -0.00059051 4.3318e+05 2024-05-08 13:03:38,633 INFO [main.py:798]
{rank 0/64} MD step = 248500 step time: 00:00:00.143956 Performance: 63.529 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 13:03:52,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248500 49700 60.106 -32511 6587.7 -39099 -39099 -0.00040002 -0.00044764 -0.00057622 4.3337e+05 2024-05-08 13:04:08,967 INFO [main.py:798]
{rank 0/64} MD step = 248600 step time: 00:00:00.164487 Performance: 63.526 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 13:04:13,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248600 49720 59.704 -32719 6543.6 -39263 -39263 -0.00016191 -0.00041907 -2.8573e-05 4.3352e+05 2024-05-08 13:04:31,035 INFO [main.py:798]
{rank 0/64} MD step = 248700 step time: 00:00:00.161370 Performance: 63.530 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 13:04:37,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248700 49740 59.22 -32758 6490.6 -39248 -39248 -0.00045717 -0.00022858 -0.00065718 4.3369e+05 2024-05-08 13:04:53,540 INFO [main.py:798]
{rank 0/64} MD step = 248800 step time: 00:00:00.156260 Performance: 63.535 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 13:04:58,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248800 49760 60.004 -32622 6576.5 -39198 -39198 -0.00015239 -0.00040002 -0.00062861 4.339e+05 2024-05-08 13:05:14,503 INFO [main.py:798]
{rank 0/64} MD step = 248900 step time: 00:00:00.156610 Performance: 63.541 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 13:05:20,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248900 49780 59.763 -32606 6550.1 -39156 -39156 -1.9049e-05 -0.00024763 -0.00080005 4.3408e+05 2024-05-08 13:05:37,044 INFO [main.py:798]
{rank 0/64} MD step = 249000 step time: 00:00:00.156002 Performance: 63.545 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 13:05:42,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249000 49800 60.148 -32634 6592.3 -39226 -39226 -0.00019049 -0.00045717 -0.00013334 4.3427e+05 2024-05-08 13:05:59,080 INFO [main.py:798]
{rank 0/64} MD step = 249100 step time: 00:00:00.155929 Performance: 63.550 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 13:06:07,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249100 49820 59.87 -32598 6561.8 -39160 -39160 4.7622e-05 -0.00045717 -0.00047622 4.3443e+05 2024-05-08 13:06:24,020 INFO [main.py:798]
{rank 0/64} MD step = 249200 step time: 00:00:00.159591 Performance: 63.552 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 13:06:32,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249200 49840 59.275 -32643 6496.6 -39139 -39139 -0.00015239 -0.00030478 -0.00024763 4.3464e+05 2024-05-08 13:06:49,629 INFO [main.py:798]
{rank 0/64} MD step = 249300 step time: 00:00:00.162493 Performance: 63.553 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 13:06:56,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249300 49860 60.41 -32505 6621 -39126 -39126 -0.00022858 -0.00072385 -0.00017144 4.3481e+05 2024-05-08 13:07:12,245 INFO [main.py:798]
{rank 0/64} MD step = 249400 step time: 00:00:00.159697 Performance: 63.558 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 13:07:20,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249400 49880 60.061 -32679 6582.8 -39261 -39261 -0.00019049 -0.00034288 0 4.3494e+05 2024-05-08 13:07:36,471 INFO [main.py:798]
{rank 0/64} MD step = 249500 step time: 00:00:00.166491 Performance: 63.561 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 13:07:43,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249500 49900 60.303 -32678 6609.3 -39288 -39288 -0.00030478 -0.00038097 -1.9049e-05 4.3514e+05 2024-05-08 13:07:59,314 INFO [main.py:798]
{rank 0/64} MD step = 249600 step time: 00:00:00.181801 Performance: 63.565 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 13:08:05,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249600 49920 60.182 -32614 6596 -39210 -39210 -0.00036193 -0.00032383 5.7146e-05 4.3531e+05 2024-05-08 13:08:21,640 INFO [main.py:798]
{rank 0/64} MD step = 249700 step time: 00:00:00.166910 Performance: 63.569 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 13:08:30,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249700 49940 60.07 -32529 6583.8 -39113 -39113 -0.00036193 -0.00037145 -0.00072385 4.3551e+05 2024-05-08 13:08:47,864 INFO [main.py:798]
{rank 0/64} MD step = 249800 step time: 00:00:00.167159 Performance: 63.570 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 13:08:53,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249800 49960 60.439 -32663 6624.2 -39287 -39287 -0.00013334 -0.00040002 -0.00060956 4.3566e+05 2024-05-08 13:09:08,804 INFO [main.py:798]
{rank 0/64} MD step = 249900 step time: 00:00:00.152451 Performance: 63.576 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 13:09:14,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249900 49980 59.6 -32629 6532.3 -39161 -39161 -0.00027621 -0.00038097 7.6195e-05 4.3587e+05 2024-05-08 13:09:30,996 INFO [main.py:798]
{rank 0/64} MD step = 250000 step time: 00:00:00.160698 Performance: 63.581 ns/day 0.377 hours/ns 3.679 steps/s 2024-05-08 13:09:38,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250000 50000 60.333 -32456 6612.6 -39068 -39068 -0.00026668 -0.00050955 -0.00045717 4.3605e+05 2024-05-08 13:09:54,703 INFO [main.py:798]
{rank 0/64} MD step = 250100 step time: 00:00:00.153432 Performance: 63.584 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:10:00,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250100 50020 60.574 -32483 6639 -39122 -39122 -0.00026668 -0.00026668 -0.00045717 4.3623e+05 2024-05-08 13:10:16,883 INFO [main.py:798]
{rank 0/64} MD step = 250200 step time: 00:00:00.159157 Performance: 63.588 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:10:21,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250200 50040 59.07 -32567 6474.1 -39042 -39042 -0.00049527 -0.00060956 -0.00059051 4.3642e+05 2024-05-08 13:10:38,033 INFO [main.py:798]
{rank 0/64} MD step = 250300 step time: 00:00:00.158783 Performance: 63.594 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:10:45,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250300 50060 59.894 -32587 6564.5 -39151 -39151 -0.00011905 -0.0004286 -1.9049e-05 4.366e+05 2024-05-08 13:11:00,778 INFO [main.py:798]
{rank 0/64} MD step = 250400 step time: 00:00:00.165203 Performance: 63.598 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:11:06,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250400 50080 60.107 -32515 6587.8 -39103 -39103 -0.00036193 -0.00046669 -0.00068575 4.3678e+05 2024-05-08 13:11:21,983 INFO [main.py:798]
{rank 0/64} MD step = 250500 step time: 00:00:00.145750 Performance: 63.604 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:11:29,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250500 50100 59.424 -32605 6513 -39118 -39118 -0.0003524 -0.00043812 -0.00012858 4.3698e+05 2024-05-08 13:11:45,500 INFO [main.py:798]
{rank 0/64} MD step = 250600 step time: 00:00:00.165353 Performance: 63.607 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:12:02,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250600 50120 59.705 -32586 6543.7 -39130 -39130 -0.00026668 -0.00043812 -5.7146e-05 4.3715e+05 2024-05-08 13:12:17,884 INFO [main.py:798]
{rank 0/64} MD step = 250700 step time: 00:00:00.157149 Performance: 63.602 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:12:31,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250700 50140 60.132 -32488 6590.6 -39079 -39079 -0.00028573 -0.00040717 -0.00040002 4.3734e+05 2024-05-08 13:12:47,566 INFO [main.py:798]
{rank 0/64} MD step = 250800 step time: 00:00:00.156669 Performance: 63.600 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:12:54,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250800 50160 59.585 -32503 6530.6 -39034 -39034 -0.00015239 -0.00040002 -0.00053336 4.3753e+05 2024-05-08 13:13:10,403 INFO [main.py:798]
{rank 0/64} MD step = 250900 step time: 00:00:00.157595 Performance: 63.604 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:13:42,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250900 50180 59.913 -32596 6566.5 -39163 -39163 0.00047622 -0.00034288 -0.00049527 4.3769e+05 2024-05-08 13:13:57,979 INFO [main.py:798]
{rank 0/64} MD step = 251000 step time: 00:00:00.166219 Performance: 63.585 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:14:10,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251000 50200 60.278 -32601 6606.5 -39207 -39207 -1.9049e-05 -0.00071433 -0.00060956 4.3787e+05 2024-05-08 13:14:25,742 INFO [main.py:798]
{rank 0/64} MD step = 251100 step time: 00:00:00.154051 Performance: 63.584 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:14:30,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251100 50220 60.112 -32660 6588.4 -39248 -39248 -0.00026668 -0.0004286 -0.00060956 4.3802e+05 2024-05-08 13:14:48,259 INFO [main.py:798]
{rank 0/64} MD step = 251200 step time: 00:00:00.162398 Performance: 63.589 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:14:56,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251200 50240 59.681 -32629 6541.1 -39170 -39170 0.00033097 -0.00043812 -0.00030478 4.382e+05 2024-05-08 13:15:12,169 INFO [main.py:798]
{rank 0/64} MD step = 251300 step time: 00:00:00.155415 Performance: 63.592 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:15:18,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251300 50260 59.548 -32559 6526.5 -39086 -39086 -0.00015239 -0.00068575 -0.00057146 4.3838e+05 2024-05-08 13:15:34,375 INFO [main.py:798]
{rank 0/64} MD step = 251400 step time: 00:00:00.160033 Performance: 63.596 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 13:15:40,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251400 50280 61.151 -32478 6702.2 -39181 -39181 8.5719e-05 -0.00045717 -0.00053813 4.3855e+05 2024-05-08 13:15:56,670 INFO [main.py:798]
{rank 0/64} MD step = 251500 step time: 00:00:00.174597 Performance: 63.601 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:16:05,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251500 50300 60.581 -32583 6639.8 -39223 -39223 -0.00037145 -0.00051908 -0.00019049 4.3872e+05 2024-05-08 13:16:20,572 INFO [main.py:798]
{rank 0/64} MD step = 251600 step time: 00:00:00.166798 Performance: 63.604 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:16:26,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251600 50320 59.74 -32619 6547.6 -39166 -39166 -0.00046193 -0.00044764 -0.00022858 4.3892e+05 2024-05-08 13:16:42,474 INFO [main.py:798]
{rank 0/64} MD step = 251700 step time: 00:00:00.162884 Performance: 63.609 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:16:55,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251700 50340 60.172 -32545 6595 -39140 -39140 -0.00038097 -0.00041907 -0.00065718 4.3907e+05 2024-05-08 13:17:11,539 INFO [main.py:798]
{rank 0/64} MD step = 251800 step time: 00:00:00.164929 Performance: 63.607 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:17:19,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251800 50360 59.701 -32537 6543.3 -39081 -39081 -0.00030478 -0.0003524 -0.00057146 4.3925e+05 2024-05-08 13:17:34,474 INFO [main.py:798]
{rank 0/64} MD step = 251900 step time: 00:00:00.162921 Performance: 63.611 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:17:41,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251900 50380 60.31 -32522 6610.1 -39132 -39132 -0.00022858 -0.00045479 -0.00038097 4.3939e+05 2024-05-08 13:17:56,785 INFO [main.py:798]
{rank 0/64} MD step = 252000 step time: 00:00:00.162446 Performance: 63.616 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 13:18:02,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252000 50400 59.463 -32651 6517.2 -39169 -39169 0.00024763 3.8097e-05 -0.00068575 4.3956e+05 2024-05-08 13:18:18,227 INFO [main.py:798]
{rank 0/64} MD step = 252100 step time: 00:00:00.156967 Performance: 63.621 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 13:18:25,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252100 50420 59.562 -32634 6528.1 -39162 -39162 -0.00026668 -0.00011429 -7.6195e-05 4.3973e+05 2024-05-08 13:18:41,242 INFO [main.py:798]
{rank 0/64} MD step = 252200 step time: 00:00:00.171138 Performance: 63.625 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 13:18:47,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252200 50440 59.15 -32742 6482.9 -39225 -39225 -0.00027621 -0.00041907 -0.00072861 4.3989e+05 2024-05-08 13:19:06,029 INFO [main.py:798]
{rank 0/64} MD step = 252300 step time: 00:00:00.169859 Performance: 63.627 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 13:19:11,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252300 50460 59.352 -32746 6505.1 -39251 -39251 -0.0004286 -0.00038097 -7.6195e-05 4.4006e+05 2024-05-08 13:19:27,172 INFO [main.py:798]
{rank 0/64} MD step = 252400 step time: 00:00:00.160675 Performance: 63.633 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 13:19:40,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252400 50480 60.693 -32493 6652 -39145 -39145 -0.00026668 -0.00041907 -0.00040002 4.4023e+05 2024-05-08 13:19:55,858 INFO [main.py:798]
{rank 0/64} MD step = 252500 step time: 00:00:00.163610 Performance: 63.631 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 13:20:05,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252500 50500 59.974 -32508 6573.2 -39081 -39081 -0.00030478 -0.00041907 -7.6195e-05 4.4042e+05 2024-05-08 13:20:21,811 INFO [main.py:798]
{rank 0/64} MD step = 252600 step time: 00:00:00.167244 Performance: 63.632 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 13:20:28,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252600 50520 60.232 -32524 6601.5 -39125 -39125 -0.00034764 -0.00038097 -0.00062861 4.4061e+05 2024-05-08 13:20:44,432 INFO [main.py:798]
{rank 0/64} MD step = 252700 step time: 00:00:00.155624 Performance: 63.637 ns/day 0.377 hours/ns 3.683 steps/s 2024-05-08 13:20:52,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252700 50540 60.177 -32509 6595.4 -39105 -39105 -0.00034288 -0.00033811 -0.00030478 4.4077e+05 2024-05-08 13:21:07,983 INFO [main.py:798]
{rank 0/64} MD step = 252800 step time: 00:00:00.162381 Performance: 63.640 ns/day 0.377 hours/ns 3.683 steps/s 2024-05-08 13:21:16,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252800 50560 59.814 -32529 6555.7 -39085 -39085 0.00015715 -0.00051431 -5.7146e-05 4.4093e+05 2024-05-08 13:21:31,773 INFO [main.py:798]
{rank 0/64} MD step = 252900 step time: 00:00:00.149028 Performance: 63.643 ns/day 0.377 hours/ns 3.683 steps/s 2024-05-08 13:21:37,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252900 50580 59.579 -32627 6530 -39157 -39157 -0.00038097 -0.00049527 -0.00072385 4.4111e+05 2024-05-08 13:21:53,743 INFO [main.py:798]
{rank 0/64} MD step = 253000 step time: 00:00:00.156662 Performance: 63.648 ns/day 0.377 hours/ns 3.683 steps/s 2024-05-08 13:21:59,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253000 50600 59.873 -32536 6562.2 -39098 -39098 -0.00030478 -0.00036193 -0.00013334 4.4128e+05 2024-05-08 13:22:15,331 INFO [main.py:798]
{rank 0/64} MD step = 253100 step time: 00:00:00.167243 Performance: 63.653 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 13:22:21,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253100 50620 59.249 -32631 6493.8 -39125 -39125 -0.00020954 -0.00065718 -0.00053336 4.4146e+05 2024-05-08 13:22:37,381 INFO [main.py:798]
{rank 0/64} MD step = 253200 step time: 00:00:00.154292 Performance: 63.658 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 13:22:44,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253200 50640 60.584 -32481 6640.1 -39121 -39121 -0.00038097 -0.00047622 -0.00032383 4.4166e+05 2024-05-08 13:22:59,945 INFO [main.py:798]
{rank 0/64} MD step = 253300 step time: 00:00:00.150312 Performance: 63.662 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 13:23:07,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253300 50660 59.761 -32494 6549.9 -39044 -39044 -0.00032383 -0.00045717 -0.00070004 4.4184e+05 2024-05-08 13:23:22,862 INFO [main.py:798]
{rank 0/64} MD step = 253400 step time: 00:00:00.155851 Performance: 63.666 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 13:23:27,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253400 50680 60.441 -32479 6624.4 -39103 -39103 -0.00022858 -0.00049527 -0.00021906 4.4201e+05 2024-05-08 13:23:42,641 INFO [main.py:798]
{rank 0/64} MD step = 253500 step time: 00:00:00.157185 Performance: 63.673 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 13:23:48,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253500 50700 59.953 -32560 6570.9 -39131 -39131 0.00019049 0.00015239 -0.00047146 4.422e+05 2024-05-08 13:24:06,607 INFO [main.py:798]
{rank 0/64} MD step = 253600 step time: 00:00:00.163672 Performance: 63.676 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 13:24:12,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253600 50720 61.034 -32620 6689.4 -39310 -39310 -0.00020954 -0.00038097 -0.00050479 4.4235e+05 2024-05-08 13:24:28,070 INFO [main.py:798]
{rank 0/64} MD step = 253700 step time: 00:00:00.156479 Performance: 63.681 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 13:24:33,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253700 50740 59.844 -32601 6559 -39160 -39160 -0.00045717 -0.00057146 -0.00051431 4.4253e+05 2024-05-08 13:24:49,646 INFO [main.py:798]
{rank 0/64} MD step = 253800 step time: 00:00:00.168702 Performance: 63.686 ns/day 0.377 hours/ns 3.686 steps/s 2024-05-08 13:24:54,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253800 50760 61.006 -32483 6686.3 -39169 -39169 -0.00049527 -0.00049527 -0.00062861 4.4274e+05 2024-05-08 13:25:10,894 INFO [main.py:798]
{rank 0/64} MD step = 253900 step time: 00:00:00.163118 Performance: 63.691 ns/day 0.377 hours/ns 3.686 steps/s 2024-05-08 13:25:16,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253900 50780 60.802 -32702 6664 -39366 -39366 -0.00028573 -0.00041907 -0.00049527 4.4288e+05 2024-05-08 13:25:32,725 INFO [main.py:798]
{rank 0/64} MD step = 254000 step time: 00:00:00.155664 Performance: 63.696 ns/day 0.377 hours/ns 3.686 steps/s 2024-05-08 13:25:37,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254000 50800 59.227 -32581 6491.3 -39072 -39072 -0.00017144 -0.00047622 -0.00068575 4.4309e+05 2024-05-08 13:25:54,932 INFO [main.py:798]
{rank 0/64} MD step = 254100 step time: 00:00:00.154077 Performance: 63.701 ns/day 0.377 hours/ns 3.686 steps/s 2024-05-08 13:26:01,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254100 50820 60.161 -32462 6593.8 -39056 -39056 -0.00030478 -0.00049527 -0.00051908 4.4328e+05 2024-05-08 13:26:17,489 INFO [main.py:798]
{rank 0/64} MD step = 254200 step time: 00:00:00.158294 Performance: 63.705 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 13:26:21,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254200 50840 59.523 -32589 6523.7 -39113 -39113 -0.00030478 -0.00030478 -0.00043812 4.4346e+05 2024-05-08 13:26:40,858 INFO [main.py:798]
{rank 0/64} MD step = 254300 step time: 00:00:00.152988 Performance: 63.709 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 13:26:47,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254300 50860 59.844 -32624 6559 -39183 -39183 -0.00045717 -0.00028097 -0.00052384 4.4362e+05 2024-05-08 13:27:02,797 INFO [main.py:798]
{rank 0/64} MD step = 254400 step time: 00:00:00.158567 Performance: 63.713 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 13:27:14,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254400 50880 59.649 -32703 6537.6 -39241 -39241 -0.00037145 -0.00041907 -0.00045717 4.4377e+05 2024-05-08 13:27:29,968 INFO [main.py:798]
{rank 0/64} MD step = 254500 step time: 00:00:00.156406 Performance: 63.713 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 13:27:35,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254500 50900 60.155 -32774 6593 -39367 -39367 -0.00030478 -0.00050003 -0.00062861 4.4394e+05 2024-05-08 13:27:50,951 INFO [main.py:798]
{rank 0/64} MD step = 254600 step time: 00:00:00.156637 Performance: 63.719 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 13:27:57,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254600 50920 60.459 -32484 6626.4 -39110 -39110 -0.00053336 -0.00057146 -0.00055241 4.4412e+05 2024-05-08 13:28:13,595 INFO [main.py:798]
{rank 0/64} MD step = 254700 step time: 00:00:00.149562 Performance: 63.723 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 13:28:19,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254700 50940 60.279 -32568 6606.6 -39175 -39175 -0.00048574 -0.00040002 -0.00067623 4.4432e+05 2024-05-08 13:28:36,016 INFO [main.py:798]
{rank 0/64} MD step = 254800 step time: 00:00:00.152237 Performance: 63.727 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 13:28:43,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254800 50960 60.557 -32411 6637.1 -39048 -39048 -0.00019049 -0.00033335 -3.3335e-05 4.445e+05 2024-05-08 13:28:58,478 INFO [main.py:798]
{rank 0/64} MD step = 254900 step time: 00:00:00.147240 Performance: 63.732 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 13:29:11,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254900 50980 59.975 -32576 6573.3 -39149 -39149 -0.00049527 -0.00028573 -0.00068575 4.4466e+05 2024-05-08 13:29:27,152 INFO [main.py:798]
{rank 0/64} MD step = 255000 step time: 00:00:00.139016 Performance: 63.730 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 13:29:34,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255000 51000 59.013 -32767 6467.9 -39235 -39235 -0.00017144 -0.00055241 -0.0007048 4.4481e+05 2024-05-08 13:29:49,680 INFO [main.py:798]
{rank 0/64} MD step = 255100 step time: 00:00:00.154645 Performance: 63.734 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 13:29:56,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255100 51020 60.308 -32508 6609.9 -39118 -39118 -0.00026668 -0.00037145 -0.00057146 4.4498e+05 2024-05-08 13:30:12,281 INFO [main.py:798]
{rank 0/64} MD step = 255200 step time: 00:00:00.156098 Performance: 63.739 ns/day 0.377 hours/ns 3.689 steps/s 2024-05-08 13:30:18,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255200 51040 59.677 -32507 6540.7 -39047 -39047 -0.00026668 -0.00060003 -0.00012382 4.4515e+05 2024-05-08 13:30:34,882 INFO [main.py:798]
{rank 0/64} MD step = 255300 step time: 00:00:00.151554 Performance: 63.743 ns/day 0.377 hours/ns 3.689 steps/s 2024-05-08 13:30:40,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255300 51060 59.937 -32596 6569.1 -39165 -39165 -0.00022858 -0.00045717 -0.00040002 4.4531e+05 2024-05-08 13:30:58,245 INFO [main.py:798]
{rank 0/64} MD step = 255400 step time: 00:00:00.146258 Performance: 63.746 ns/day 0.376 hours/ns 3.689 steps/s 2024-05-08 13:31:04,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255400 51080 60.274 -32611 6606.1 -39217 -39217 -3.8097e-05 -0.00051431 -0.00046669 4.455e+05 2024-05-08 13:31:20,916 INFO [main.py:798]
{rank 0/64} MD step = 255500 step time: 00:00:00.152288 Performance: 63.750 ns/day 0.376 hours/ns 3.689 steps/s 2024-05-08 13:31:26,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255500 51100 61.082 -32447 6694.6 -39142 -39142 -0.00028573 -0.00041907 3.8097e-05 4.4568e+05 2024-05-08 13:31:42,202 INFO [main.py:798]
{rank 0/64} MD step = 255600 step time: 00:00:00.150282 Performance: 63.756 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 13:31:50,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255600 51120 59.97 -32544 6572.8 -39117 -39117 -0.00038097 -0.00037621 -0.00052384 4.4584e+05 2024-05-08 13:32:06,090 INFO [main.py:798]
{rank 0/64} MD step = 255700 step time: 00:00:00.158071 Performance: 63.759 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 13:32:14,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255700 51140 61.195 -32508 6707.1 -39215 -39215 -1.9049e-05 -0.0007048 -0.00064766 4.4601e+05 2024-05-08 13:32:29,522 INFO [main.py:798]
{rank 0/64} MD step = 255800 step time: 00:00:00.165246 Performance: 63.762 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 13:32:38,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255800 51160 59.381 -32565 6508.2 -39073 -39073 0.00036193 -0.00053336 -4.7622e-05 4.4619e+05 2024-05-08 13:32:53,535 INFO [main.py:798]
{rank 0/64} MD step = 255900 step time: 00:00:00.148458 Performance: 63.765 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 13:33:00,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255900 51180 60.525 -32587 6633.6 -39221 -39221 0.00028573 -0.00049527 -0.00022858 4.4636e+05 2024-05-08 13:33:15,651 INFO [main.py:798]
{rank 0/64} MD step = 256000 step time: 00:00:00.144518 Performance: 63.769 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 13:33:22,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256000 51200 59.42 -32686 6512.5 -39199 -39199 -0.00043812 -0.00045717 -0.00051431 4.4654e+05 2024-05-08 13:33:40,871 INFO [main.py:798]
{rank 0/64} MD step = 256100 step time: 00:00:00.146175 Performance: 63.771 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 13:33:46,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256100 51220 60.27 -32526 6605.7 -39131 -39131 -0.00011429 -0.00047622 6.1908e-05 4.4674e+05 2024-05-08 13:34:02,868 INFO [main.py:798]
{rank 0/64} MD step = 256200 step time: 00:00:00.149505 Performance: 63.776 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 13:34:06,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256200 51240 60.022 -32516 6578.5 -39094 -39094 -0.00028573 -0.00049527 -0.00010477 4.469e+05 2024-05-08 13:34:24,249 INFO [main.py:798]
{rank 0/64} MD step = 256300 step time: 00:00:00.145861 Performance: 63.781 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 13:34:30,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256300 51260 60.428 -32576 6622.9 -39199 -39199 -0.00019049 -0.00030478 0.00012382 4.4707e+05 2024-05-08 13:34:46,707 INFO [main.py:798]
{rank 0/64} MD step = 256400 step time: 00:00:00.147329 Performance: 63.785 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 13:34:53,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256400 51280 59.177 -32606 6485.9 -39092 -39092 -0.00038097 -0.00046669 -0.00053336 4.4721e+05 2024-05-08 13:35:09,250 INFO [main.py:798]
{rank 0/64} MD step = 256500 step time: 00:00:00.141963 Performance: 63.789 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:35:17,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256500 51300 60.417 -32655 6621.7 -39277 -39277 -0.00024763 -0.00051431 -0.00064766 4.4735e+05 2024-05-08 13:35:32,735 INFO [main.py:798]
{rank 0/64} MD step = 256600 step time: 00:00:00.156134 Performance: 63.793 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:35:39,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256600 51320 59.139 -32759 6481.7 -39241 -39241 -0.00032383 -0.00057146 -0.00013334 4.4755e+05 2024-05-08 13:35:57,876 INFO [main.py:798]
{rank 0/64} MD step = 256700 step time: 00:00:00.151575 Performance: 63.795 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:36:03,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256700 51340 59.583 -32674 6530.3 -39204 -39204 -0.00030478 -0.00057146 -0.0007048 4.4772e+05 2024-05-08 13:36:18,659 INFO [main.py:798]
{rank 0/64} MD step = 256800 step time: 00:00:00.146861 Performance: 63.800 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:36:25,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256800 51360 59.423 -32674 6512.8 -39187 -39187 -0.00044764 -0.00046669 -0.0007048 4.4792e+05 2024-05-08 13:36:42,742 INFO [main.py:798]
{rank 0/64} MD step = 256900 step time: 00:00:00.144673 Performance: 63.803 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:36:50,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256900 51380 59.84 -32510 6558.5 -39069 -39069 -0.00015239 -7.6195e-05 -0.00057146 4.4812e+05 2024-05-08 13:37:06,025 INFO [main.py:798]
{rank 0/64} MD step = 257000 step time: 00:00:00.150232 Performance: 63.807 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:37:15,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257000 51400 59.965 -32614 6572.3 -39186 -39186 -0.0003524 -0.00037621 -7.6195e-05 4.4829e+05 2024-05-08 13:37:31,817 INFO [main.py:798]
{rank 0/64} MD step = 257100 step time: 00:00:00.145772 Performance: 63.808 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:37:38,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257100 51420 60.041 -32480 6580.6 -39061 -39061 -0.00026668 -0.0006048 -0.00043812 4.4847e+05 2024-05-08 13:37:55,268 INFO [main.py:798]
{rank 0/64} MD step = 257200 step time: 00:00:00.142954 Performance: 63.811 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:38:02,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257200 51440 59.704 -32509 6543.6 -39053 -39053 -0.00037145 -0.0004286 9.5243e-05 4.4866e+05 2024-05-08 13:38:18,512 INFO [main.py:798]
{rank 0/64} MD step = 257300 step time: 00:00:00.147161 Performance: 63.815 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:38:25,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257300 51460 60.355 -32513 6615 -39128 -39128 -0.00040002 -0.00017144 -0.00064766 4.4883e+05 2024-05-08 13:38:41,841 INFO [main.py:798]
{rank 0/64} MD step = 257400 step time: 00:00:00.145130 Performance: 63.818 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:38:49,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257400 51480 59.768 -32702 6550.6 -39253 -39253 -4.7622e-05 -0.00038097 8.5719e-05 4.4896e+05 2024-05-08 13:39:05,913 INFO [main.py:798]
{rank 0/64} MD step = 257500 step time: 00:00:00.140944 Performance: 63.821 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:40:11,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257500 51500 59.724 -32693 6545.9 -39239 -39239 -0.00028573 -0.00043812 -0.00071433 4.4914e+05 2024-05-08 13:40:26,599 INFO [main.py:798]
{rank 0/64} MD step = 257600 step time: 00:00:00.147706 Performance: 63.772 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 13:40:32,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257600 51520 59.414 -32692 6511.9 -39204 -39204 -0.00021906 -0.00032383 -0.00028097 4.4934e+05 2024-05-08 13:40:49,032 INFO [main.py:798]
{rank 0/64} MD step = 257700 step time: 00:00:00.155651 Performance: 63.776 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 13:40:53,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257700 51540 58.921 -32596 6457.9 -39053 -39053 -0.0004286 -0.00048098 -0.00022858 4.4955e+05 2024-05-08 13:41:11,738 INFO [main.py:798]
{rank 0/64} MD step = 257800 step time: 00:00:00.157434 Performance: 63.780 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 13:41:18,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257800 51560 60.813 -32673 6665.2 -39338 -39338 -0.00045241 -0.00045241 -0.00040002 4.4969e+05 2024-05-08 13:41:34,698 INFO [main.py:798]
{rank 0/64} MD step = 257900 step time: 00:00:00.170890 Performance: 63.784 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 13:41:41,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257900 51580 60.176 -32548 6595.4 -39143 -39143 -0.00028573 -0.00050479 0 4.4987e+05 2024-05-08 13:41:56,662 INFO [main.py:798]
{rank 0/64} MD step = 258000 step time: 00:00:00.161291 Performance: 63.789 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 13:42:03,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258000 51600 59.513 -32502 6522.7 -39024 -39024 -8.5719e-05 -0.00027621 6.667e-05 4.5005e+05 2024-05-08 13:42:19,394 INFO [main.py:798]
{rank 0/64} MD step = 258100 step time: 00:00:00.171200 Performance: 63.792 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:42:25,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258100 51620 60.935 -32341 6678.5 -39020 -39020 -0.00049527 -0.00029525 -0.00077147 4.5019e+05 2024-05-08 13:42:40,769 INFO [main.py:798]
{rank 0/64} MD step = 258200 step time: 00:00:00.157038 Performance: 63.798 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:42:47,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258200 51640 60.443 -32504 6624.7 -39129 -39129 -0.00025716 -0.00036193 -0.00062861 4.5036e+05 2024-05-08 13:43:02,889 INFO [main.py:798]
{rank 0/64} MD step = 258300 step time: 00:00:00.161165 Performance: 63.802 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:43:11,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258300 51660 60.699 -32498 6652.6 -39150 -39150 -0.00033335 -0.00053336 -0.00073337 4.5053e+05 2024-05-08 13:43:26,834 INFO [main.py:798]
{rank 0/64} MD step = 258400 step time: 00:00:00.162665 Performance: 63.805 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 13:43:34,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258400 51680 61.348 -32312 6723.9 -39036 -39036 -0.00050479 -0.00030478 -0.00076195 4.5074e+05 2024-05-08 13:43:50,446 INFO [main.py:798]
{rank 0/64} MD step = 258500 step time: 00:00:00.170505 Performance: 63.808 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:43:55,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258500 51700 58.891 -32753 6454.5 -39208 -39208 -0.00020954 -0.00047622 -0.00043812 4.509e+05 2024-05-08 13:44:14,021 INFO [main.py:798]
{rank 0/64} MD step = 258600 step time: 00:00:00.162916 Performance: 63.811 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:44:27,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258600 51720 59.584 -32678 6530.5 -39209 -39209 -0.0004286 -0.00064766 -0.00026668 4.5106e+05 2024-05-08 13:44:42,602 INFO [main.py:798]
{rank 0/64} MD step = 258700 step time: 00:00:00.166913 Performance: 63.810 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:44:50,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258700 51740 60.15 -32458 6592.5 -39050 -39050 -0.00030478 -0.00062861 -3.8097e-05 4.5125e+05 2024-05-08 13:45:05,354 INFO [main.py:798]
{rank 0/64} MD step = 258800 step time: 00:00:00.160252 Performance: 63.814 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:45:11,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258800 51760 60.793 -32392 6663 -39055 -39055 -0.00036193 -0.00052384 -0.00057146 4.5143e+05 2024-05-08 13:45:27,647 INFO [main.py:798]
{rank 0/64} MD step = 258900 step time: 00:00:00.158383 Performance: 63.818 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:45:33,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258900 51780 59.767 -32662 6550.6 -39213 -39213 -0.00049527 -0.00046669 0.00010477 4.5156e+05 2024-05-08 13:45:49,137 INFO [main.py:798]
{rank 0/64} MD step = 259000 step time: 00:00:00.167943 Performance: 63.823 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 13:45:55,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259000 51800 59.375 -32537 6507.5 -39045 -39045 -0.00044764 -0.00053336 -3.8097e-05 4.5179e+05 2024-05-08 13:46:11,565 INFO [main.py:798]
{rank 0/64} MD step = 259100 step time: 00:00:00.172210 Performance: 63.828 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 13:46:17,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259100 51820 60.729 -32421 6655.9 -39077 -39077 -0.00025716 -0.00049527 0.00015239 4.5197e+05 2024-05-08 13:46:33,583 INFO [main.py:798]
{rank 0/64} MD step = 259200 step time: 00:00:00.158880 Performance: 63.832 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 13:46:41,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259200 51840 59.434 -32588 6514 -39102 -39102 -0.00038097 -0.0007048 -0.00072385 4.5216e+05 2024-05-08 13:46:58,320 INFO [main.py:798]
{rank 0/64} MD step = 259300 step time: 00:00:00.162961 Performance: 63.834 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 13:47:04,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259300 51860 60.175 -32465 6595.2 -39060 -39060 -0.00019049 -0.00051431 -0.00011429 4.5233e+05 2024-05-08 13:47:21,946 INFO [main.py:798]
{rank 0/64} MD step = 259400 step time: 00:00:00.178688 Performance: 63.838 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 13:47:27,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259400 51880 61.114 -32414 6698.1 -39112 -39112 -0.00030478 -0.00043812 -0.00020954 4.5248e+05 2024-05-08 13:47:42,708 INFO [main.py:798]
{rank 0/64} MD step = 259500 step time: 00:00:00.158895 Performance: 63.843 ns/day 0.376 hours/ns 3.695 steps/s 2024-05-08 13:47:49,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259500 51900 60.456 -32388 6626 -39014 -39014 -0.00026668 9.5243e-05 -0.00055241 4.5268e+05 2024-05-08 13:48:05,299 INFO [main.py:798]
{rank 0/64} MD step = 259600 step time: 00:00:00.156874 Performance: 63.847 ns/day 0.376 hours/ns 3.695 steps/s 2024-05-08 13:48:11,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259600 51920 59.091 -32618 6476.5 -39094 -39094 -0.00037145 -0.00060956 -0.00047622 4.5283e+05 2024-05-08 13:48:26,653 INFO [main.py:798]
{rank 0/64} MD step = 259700 step time: 00:00:00.160866 Performance: 63.853 ns/day 0.376 hours/ns 3.695 steps/s 2024-05-08 13:48:32,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259700 51940 60.966 -32405 6682 -39087 -39087 -0.00026668 -0.00043812 -0.00044764 4.5301e+05 2024-05-08 13:48:47,193 INFO [main.py:798]
{rank 0/64} MD step = 259800 step time: 00:00:00.159972 Performance: 63.858 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 13:48:54,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259800 51960 59.437 -32613 6514.4 -39127 -39127 -0.00040955 -0.00040002 -0.00068575 4.5318e+05 2024-05-08 13:49:09,289 INFO [main.py:798]
{rank 0/64} MD step = 259900 step time: 00:00:00.148306 Performance: 63.863 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 13:49:15,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259900 51980 61.387 -32431 6728.1 -39159 -39159 -0.00053336 -0.00033335 -0.00062861 4.5336e+05 2024-05-08 13:49:31,251 INFO [main.py:798]
{rank 0/64} MD step = 260000 step time: 00:00:00.159263 Performance: 63.868 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 13:49:37,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260000 52000 59.569 -32626 6528.9 -39155 -39155 -0.00019049 -5.7146e-05 -0.00045717 4.5352e+05 2024-05-08 13:49:53,141 INFO [main.py:798]
{rank 0/64} MD step = 260100 step time: 00:00:00.150117 Performance: 63.872 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 13:49:59,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260100 52020 58.98 -32880 6464.3 -39345 -39345 -0.00025716 -0.00034764 -0.00063337 4.5366e+05 2024-05-08 13:50:15,844 INFO [main.py:798]
{rank 0/64} MD step = 260200 step time: 00:00:00.149885 Performance: 63.876 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 13:50:24,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260200 52040 59.912 -32613 6566.4 -39179 -39179 -0.00022858 -0.00056194 -0.00059051 4.5388e+05 2024-05-08 13:50:39,902 INFO [main.py:798]
{rank 0/64} MD step = 260300 step time: 00:00:00.155024 Performance: 63.879 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 13:50:48,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260300 52060 60.376 -32539 6617.3 -39156 -39156 -0.00028573 -0.00052384 -3.8097e-05 4.5406e+05 2024-05-08 13:51:04,392 INFO [main.py:798]
{rank 0/64} MD step = 260400 step time: 00:00:00.161773 Performance: 63.881 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 13:51:11,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260400 52080 60.454 -32474 6625.8 -39100 -39100 -0.00017144 -0.00043812 -0.00051431 4.5428e+05 2024-05-08 13:51:28,100 INFO [main.py:798]
{rank 0/64} MD step = 260500 step time: 00:00:00.157979 Performance: 63.884 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 13:51:37,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260500 52100 59.594 -32697 6531.5 -39229 -39229 -0.00026668 -0.00048574 -0.00022858 4.544e+05 2024-05-08 13:51:53,665 INFO [main.py:798]
{rank 0/64} MD step = 260600 step time: 00:00:00.160225 Performance: 63.886 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 13:51:59,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260600 52120 59.691 -32604 6542.2 -39146 -39146 0.00026668 -0.00024763 -0.00026668 4.546e+05 2024-05-08 13:52:16,456 INFO [main.py:798]
{rank 0/64} MD step = 260700 step time: 00:00:00.160086 Performance: 63.889 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 13:52:24,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260700 52140 60.388 -32477 6618.6 -39096 -39096 -0.00040478 -0.00030478 -0.00045717 4.5477e+05 2024-05-08 13:52:39,826 INFO [main.py:798]
{rank 0/64} MD step = 260800 step time: 00:00:00.156108 Performance: 63.893 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 13:52:44,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260800 52160 60.189 -32573 6596.8 -39170 -39170 -0.0003143 -0.00048574 -0.00060956 4.5495e+05 2024-05-08 13:53:01,995 INFO [main.py:798]
{rank 0/64} MD step = 260900 step time: 00:00:00.165669 Performance: 63.897 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 13:53:06,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260900 52180 60.179 -32663 6595.7 -39259 -39259 -0.00013334 -0.00045717 -0.00020001 4.5508e+05 2024-05-08 13:53:22,855 INFO [main.py:798]
{rank 0/64} MD step = 261000 step time: 00:00:00.162804 Performance: 63.903 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 13:53:28,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261000 52200 60.062 -32613 6582.8 -39196 -39196 -0.00023335 -0.0007048 -9.5243e-05 4.5529e+05 2024-05-08 13:53:44,340 INFO [main.py:798]
{rank 0/64} MD step = 261100 step time: 00:00:00.161111 Performance: 63.908 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 13:53:50,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261100 52220 60.4 -32571 6619.9 -39191 -39191 -0.00029049 -0.00049527 -9.5243e-05 4.5546e+05 2024-05-08 13:54:06,038 INFO [main.py:798]
{rank 0/64} MD step = 261200 step time: 00:00:00.156746 Performance: 63.913 ns/day 0.376 hours/ns 3.699 steps/s 2024-05-08 13:54:11,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261200 52240 60.708 -32464 6653.7 -39118 -39118 -0.00034288 -0.00041907 -0.00055241 4.5565e+05 2024-05-08 13:54:27,472 INFO [main.py:798]
{rank 0/64} MD step = 261300 step time: 00:00:00.157894 Performance: 63.918 ns/day 0.375 hours/ns 3.699 steps/s 2024-05-08 13:54:32,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261300 52260 59.654 -32536 6538.2 -39074 -39074 -0.00025716 -0.0003524 -0.00023811 4.5586e+05 2024-05-08 13:54:48,553 INFO [main.py:798]
{rank 0/64} MD step = 261400 step time: 00:00:00.163505 Performance: 63.923 ns/day 0.375 hours/ns 3.699 steps/s 2024-05-08 13:54:54,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261400 52280 60.52 -32579 6633 -39212 -39212 -0.00043812 -0.00028573 8.5719e-05 4.5601e+05 2024-05-08 13:55:09,708 INFO [main.py:798]
{rank 0/64} MD step = 261500 step time: 00:00:00.148539 Performance: 63.928 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 13:55:15,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261500 52300 60.46 -32605 6626.5 -39232 -39232 -0.00021906 -0.00038097 -0.00057146 4.5619e+05 2024-05-08 13:55:31,445 INFO [main.py:798]
{rank 0/64} MD step = 261600 step time: 00:00:00.144104 Performance: 63.933 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 13:55:37,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261600 52320 59.939 -32685 6569.3 -39254 -39254 0.00032383 -0.00026668 -0.00015239 4.5634e+05 2024-05-08 13:55:54,959 INFO [main.py:798]
{rank 0/64} MD step = 261700 step time: 00:00:00.162368 Performance: 63.936 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 13:56:00,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261700 52340 60.751 -32560 6658.3 -39219 -39219 -4.7622e-05 -0.00051431 -0.00036193 4.5651e+05 2024-05-08 13:56:16,006 INFO [main.py:798]
{rank 0/64} MD step = 261800 step time: 00:00:00.153446 Performance: 63.942 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 13:56:22,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261800 52360 59.253 -32728 6494.3 -39222 -39222 -3.8097e-05 -0.00043812 -5.7146e-05 4.567e+05 2024-05-08 13:56:38,338 INFO [main.py:798]
{rank 0/64} MD step = 261900 step time: 00:00:00.148163 Performance: 63.946 ns/day 0.375 hours/ns 3.701 steps/s 2024-05-08 13:56:43,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261900 52380 60.528 -32640 6633.9 -39274 -39274 -0.00028573 -0.00052384 -0.00047622 4.5688e+05 2024-05-08 13:57:00,655 INFO [main.py:798]
{rank 0/64} MD step = 262000 step time: 00:00:00.149836 Performance: 63.950 ns/day 0.375 hours/ns 3.701 steps/s 2024-05-08 13:57:06,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262000 52400 59.408 -32713 6511.2 -39224 -39224 -0.00019049 -0.00045717 -0.00044288 4.5708e+05 2024-05-08 13:57:22,617 INFO [main.py:798]
{rank 0/64} MD step = 262100 step time: 00:00:00.153369 Performance: 63.955 ns/day 0.375 hours/ns 3.701 steps/s 2024-05-08 13:57:27,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262100 52420 60.172 -32626 6595 -39221 -39221 -0.00017144 -0.00053336 -0.00055241 4.5726e+05 2024-05-08 13:57:44,648 INFO [main.py:798]
{rank 0/64} MD step = 262200 step time: 00:00:00.151687 Performance: 63.959 ns/day 0.375 hours/ns 3.701 steps/s 2024-05-08 13:57:51,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262200 52440 59.358 -32695 6505.8 -39200 -39200 -0.00045717 -0.0007429 2.3811e-05 4.5744e+05 2024-05-08 13:58:07,198 INFO [main.py:798]
{rank 0/64} MD step = 262300 step time: 00:00:00.151702 Performance: 63.963 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 13:58:15,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262300 52460 60.01 -32563 6577.2 -39140 -39140 -0.00019049 -0.00028573 -0.00052384 4.5761e+05 2024-05-08 13:58:31,702 INFO [main.py:798]
{rank 0/64} MD step = 262400 step time: 00:00:00.150180 Performance: 63.966 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 13:58:35,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262400 52480 59.929 -32559 6568.3 -39127 -39127 -0.00029525 -0.00053336 -0.0005667 4.5778e+05 2024-05-08 13:58:53,555 INFO [main.py:798]
{rank 0/64} MD step = 262500 step time: 00:00:00.165123 Performance: 63.970 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 13:58:59,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262500 52500 59.656 -32722 6538.4 -39260 -39260 -0.00029525 -0.00040002 -0.00047622 4.5796e+05 2024-05-08 13:59:14,807 INFO [main.py:798]
{rank 0/64} MD step = 262600 step time: 00:00:00.157702 Performance: 63.976 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 13:59:22,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262600 52520 60.809 -32567 6664.8 -39232 -39232 -0.00028573 -0.00064766 -0.0006667 4.5814e+05 2024-05-08 13:59:37,559 INFO [main.py:798]
{rank 0/64} MD step = 262700 step time: 00:00:00.152612 Performance: 63.979 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 13:59:43,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262700 52540 59.196 -32657 6488 -39145 -39145 -0.00026668 -0.00047622 -0.00011905 4.5833e+05 2024-05-08 13:59:59,540 INFO [main.py:798]
{rank 0/64} MD step = 262800 step time: 00:00:00.156770 Performance: 63.984 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 14:00:07,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262800 52560 59.872 -32622 6562 -39184 -39184 -0.00038097 -0.00041907 -0.00030478 4.585e+05 2024-05-08 14:00:22,761 INFO [main.py:798]
{rank 0/64} MD step = 262900 step time: 00:00:00.163490 Performance: 63.987 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 14:00:31,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262900 52580 59.197 -32599 6488.1 -39087 -39087 -0.00011429 -0.00071433 -0.00048574 4.587e+05 2024-05-08 14:00:46,898 INFO [main.py:798]
{rank 0/64} MD step = 263000 step time: 00:00:00.158573 Performance: 63.990 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 14:00:51,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263000 52600 60.092 -32413 6586.1 -39000 -39000 -0.00034288 -0.00034288 -0.00036193 4.5891e+05 2024-05-08 14:01:08,129 INFO [main.py:798]
{rank 0/64} MD step = 263100 step time: 00:00:00.163729 Performance: 63.995 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 14:01:12,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263100 52620 60.76 -32463 6659.3 -39122 -39122 -0.00026668 -0.00041907 -9.5243e-05 4.5907e+05 2024-05-08 14:01:29,003 INFO [main.py:798]
{rank 0/64} MD step = 263200 step time: 00:00:00.170399 Performance: 64.001 ns/day 0.375 hours/ns 3.704 steps/s 2024-05-08 14:01:34,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263200 52640 59.993 -32577 6575.3 -39152 -39152 3.8097e-05 -0.00045717 -0.00049527 4.5924e+05 2024-05-08 14:01:51,491 INFO [main.py:798]
{rank 0/64} MD step = 263300 step time: 00:00:00.169125 Performance: 64.005 ns/day 0.375 hours/ns 3.704 steps/s 2024-05-08 14:01:57,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263300 52660 59.033 -32743 6470.1 -39213 -39213 -3.8097e-05 -0.00026668 -4.7622e-05 4.594e+05 2024-05-08 14:02:12,761 INFO [main.py:798]
{rank 0/64} MD step = 263400 step time: 00:00:00.169316 Performance: 64.010 ns/day 0.375 hours/ns 3.704 steps/s 2024-05-08 14:02:18,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263400 52680 59.876 -32560 6562.5 -39123 -39123 -0.00034288 -0.00049527 -0.00064766 4.5959e+05 2024-05-08 14:02:34,024 INFO [main.py:798]
{rank 0/64} MD step = 263500 step time: 00:00:00.162114 Performance: 64.015 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 14:02:40,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263500 52700 59.926 -32650 6568 -39218 -39218 -0.00038097 -0.00032383 -0.00027621 4.5974e+05 2024-05-08 14:02:55,768 INFO [main.py:798]
{rank 0/64} MD step = 263600 step time: 00:00:00.164384 Performance: 64.020 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 14:03:01,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263600 52720 59.414 -32688 6511.8 -39200 -39200 -0.00031907 -0.00043812 -0.00068575 4.5992e+05 2024-05-08 14:03:17,757 INFO [main.py:798]
{rank 0/64} MD step = 263700 step time: 00:00:00.164204 Performance: 64.024 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 14:03:26,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263700 52740 59.656 -32495 6538.4 -39033 -39033 -0.00034288 -0.00059527 -0.00049527 4.6014e+05 2024-05-08 14:03:41,444 INFO [main.py:798]
{rank 0/64} MD step = 263800 step time: 00:00:00.154564 Performance: 64.027 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 14:03:47,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263800 52760 59.811 -32596 6555.3 -39152 -39152 -0.00017144 -0.00045717 -0.00068575 4.6026e+05 2024-05-08 14:04:03,019 INFO [main.py:798]
{rank 0/64} MD step = 263900 step time: 00:00:00.158204 Performance: 64.032 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 14:04:08,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263900 52780 60.862 -32542 6670.5 -39212 -39212 -0.00019049 -0.00036193 9.5243e-06 4.6043e+05 2024-05-08 14:04:24,109 INFO [main.py:798]
{rank 0/64} MD step = 264000 step time: 00:00:00.161053 Performance: 64.037 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 14:04:29,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264000 52800 60.294 -32641 6608.3 -39249 -39249 -0.00049527 -0.0003143 -0.00059051 4.6061e+05 2024-05-08 14:04:44,675 INFO [main.py:798]
{rank 0/64} MD step = 264100 step time: 00:00:00.153708 Performance: 64.043 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 14:04:55,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264100 52820 60.211 -32545 6599.2 -39145 -39145 -0.00017144 -0.00026668 -0.00057146 4.6078e+05 2024-05-08 14:05:11,081 INFO [main.py:798]
{rank 0/64} MD step = 264200 step time: 00:00:00.166643 Performance: 64.044 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 14:05:16,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264200 52840 60.342 -32486 6613.6 -39099 -39099 -0.00036193 -0.00051431 -1.9049e-05 4.6095e+05 2024-05-08 14:05:31,707 INFO [main.py:798]
{rank 0/64} MD step = 264300 step time: 00:00:00.151134 Performance: 64.049 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 14:05:41,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264300 52860 59.208 -32655 6489.3 -39144 -39144 -0.00036193 -0.00034288 0.00015239 4.6111e+05 2024-05-08 14:05:56,406 INFO [main.py:798]
{rank 0/64} MD step = 264400 step time: 00:00:00.157678 Performance: 64.051 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 14:06:01,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264400 52880 60.031 -32492 6579.5 -39072 -39072 -0.00026668 -0.00059051 -0.00057146 4.6128e+05 2024-05-08 14:06:17,525 INFO [main.py:798]
{rank 0/64} MD step = 264500 step time: 00:00:00.155258 Performance: 64.057 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 14:06:29,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264500 52900 59.863 -32653 6561.1 -39214 -39214 -0.00038097 -0.00047146 -0.00072385 4.6148e+05 2024-05-08 14:06:45,755 INFO [main.py:798]
{rank 0/64} MD step = 264600 step time: 00:00:00.160561 Performance: 64.056 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 14:06:51,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264600 52920 60.252 -32638 6603.7 -39242 -39242 -0.00033335 -0.00040002 -0.00047622 4.6163e+05 2024-05-08 14:07:07,886 INFO [main.py:798]
{rank 0/64} MD step = 264700 step time: 00:00:00.159558 Performance: 64.060 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 14:07:14,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264700 52940 59.963 -32568 6572 -39140 -39140 -0.00030478 -0.00057146 -0.00053336 4.6186e+05 2024-05-08 14:07:30,890 INFO [main.py:798]
{rank 0/64} MD step = 264800 step time: 00:00:00.158364 Performance: 64.063 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 14:07:38,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264800 52960 60.337 -32672 6613 -39285 -39285 -0.00043812 -0.00040002 -0.00034764 4.6199e+05 2024-05-08 14:07:54,150 INFO [main.py:798]
{rank 0/64} MD step = 264900 step time: 00:00:00.145941 Performance: 64.067 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 14:08:07,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264900 52980 60.256 -32447 6604.1 -39051 -39051 -0.00030478 -0.00057146 -0.00038097 4.622e+05 2024-05-08 14:08:22,539 INFO [main.py:798]
{rank 0/64} MD step = 265000 step time: 00:00:00.149214 Performance: 64.066 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 14:08:30,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265000 53000 60.862 -32397 6670.5 -39067 -39067 -0.00032383 -0.00057146 -0.00035716 4.6237e+05 2024-05-08 14:08:46,554 INFO [main.py:798]
{rank 0/64} MD step = 265100 step time: 00:00:00.160613 Performance: 64.068 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 14:08:52,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265100 53020 60.075 -32628 6584.3 -39213 -39213 -9.5243e-05 -0.00013334 -0.00049527 4.6251e+05 2024-05-08 14:09:08,369 INFO [main.py:798]
{rank 0/64} MD step = 265200 step time: 00:00:00.164605 Performance: 64.073 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 14:09:13,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265200 53040 59.569 -32715 6528.8 -39244 -39244 0.00017144 -0.00011429 -9.5243e-05 4.6269e+05 2024-05-08 14:09:29,860 INFO [main.py:798]
{rank 0/64} MD step = 265300 step time: 00:00:00.159210 Performance: 64.078 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 14:09:35,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265300 53060 59.987 -32553 6574.7 -39127 -39127 1.9049e-05 -0.00043812 -0.0007048 4.6287e+05 2024-05-08 14:09:51,411 INFO [main.py:798]
{rank 0/64} MD step = 265400 step time: 00:00:00.157759 Performance: 64.083 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 14:09:57,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265400 53080 58.877 -32670 6453 -39123 -39123 -0.00055241 -0.0004286 -0.00041907 4.6306e+05 2024-05-08 14:10:15,610 INFO [main.py:798]
{rank 0/64} MD step = 265500 step time: 00:00:00.188109 Performance: 64.085 ns/day 0.375 hours/ns 3.709 steps/s 2024-05-08 14:10:20,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265500 53100 59.947 -32383 6570.3 -38953 -38953 -0.0001381 -0.00032383 -0.00020954 4.6325e+05 2024-05-08 14:10:36,948 INFO [main.py:798]
{rank 0/64} MD step = 265600 step time: 00:00:00.156833 Performance: 64.090 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 14:10:43,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265600 53120 60.335 -32457 6612.8 -39070 -39070 -0.00045717 -0.00049527 -0.00057146 4.6342e+05 2024-05-08 14:10:59,419 INFO [main.py:798]
{rank 0/64} MD step = 265700 step time: 00:00:00.164577 Performance: 64.094 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 14:11:05,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265700 53140 60.611 -32479 6643 -39122 -39122 -0.0007048 -0.00062861 -1.9049e-05 4.6356e+05 2024-05-08 14:11:22,078 INFO [main.py:798]
{rank 0/64} MD step = 265800 step time: 00:00:00.163711 Performance: 64.098 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 14:11:32,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265800 53160 59.431 -32819 6513.7 -39332 -39332 -5.7146e-05 -0.00045717 -1.9049e-05 4.6371e+05 2024-05-08 14:11:51,703 INFO [main.py:798]
{rank 0/64} MD step = 265900 step time: 00:00:00.153135 Performance: 64.096 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 14:11:56,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265900 53180 59.317 -32607 6501.3 -39108 -39108 -0.00038097 -0.00040955 -0.00038097 4.6389e+05 2024-05-08 14:12:12,849 INFO [main.py:798]
{rank 0/64} MD step = 266000 step time: 00:00:00.158000 Performance: 64.101 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 14:12:19,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266000 53200 60.392 -32583 6619.1 -39202 -39202 4.7622e-05 -0.00034288 -0.00054765 4.6408e+05 2024-05-08 14:12:38,373 INFO [main.py:798]
{rank 0/64} MD step = 266100 step time: 00:00:00.157055 Performance: 64.102 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 14:12:44,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266100 53220 60.254 -32575 6604 -39179 -39179 -0.0001381 -0.00034288 -0.0003905 4.6423e+05 2024-05-08 14:13:00,638 INFO [main.py:798]
{rank 0/64} MD step = 266200 step time: 00:00:00.148590 Performance: 64.106 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 14:13:07,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266200 53240 59.826 -32604 6557.1 -39161 -39161 4.7622e-05 -0.00036193 1.9049e-05 4.644e+05 2024-05-08 14:13:23,894 INFO [main.py:798]
{rank 0/64} MD step = 266300 step time: 00:00:00.156840 Performance: 64.110 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 14:13:30,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266300 53260 60.027 -32468 6579.1 -39047 -39047 -0.00026668 -0.00043812 -0.0006667 4.6459e+05 2024-05-08 14:13:46,350 INFO [main.py:798]
{rank 0/64} MD step = 266400 step time: 00:00:00.159233 Performance: 64.114 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 14:13:55,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266400 53280 59.63 -32665 6535.5 -39200 -39200 3.8097e-05 -0.00051431 -0.00057146 4.6478e+05 2024-05-08 14:14:11,047 INFO [main.py:798]
{rank 0/64} MD step = 266500 step time: 00:00:00.148839 Performance: 64.116 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 14:14:18,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266500 53300 60.932 -32490 6678.2 -39168 -39168 -0.00040002 -0.00025716 -0.00049527 4.6495e+05 2024-05-08 14:14:34,082 INFO [main.py:798]
{rank 0/64} MD step = 266600 step time: 00:00:00.137716 Performance: 64.119 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 14:14:43,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266600 53320 60.207 -32622 6598.8 -39221 -39221 -9.5243e-05 -0.00049527 -0.00064766 4.6513e+05 2024-05-08 14:14:59,218 INFO [main.py:798]
{rank 0/64} MD step = 266700 step time: 00:00:00.155350 Performance: 64.121 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 14:15:05,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266700 53340 61.074 -32630 6693.8 -39324 -39324 -0.00026668 -0.00030478 -1.9049e-05 4.6525e+05 2024-05-08 14:15:21,268 INFO [main.py:798]
{rank 0/64} MD step = 266800 step time: 00:00:00.148718 Performance: 64.125 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 14:15:26,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266800 53360 59.063 -32715 6473.4 -39188 -39188 -0.0003905 -0.00056194 -9.5243e-05 4.6544e+05 2024-05-08 14:15:42,429 INFO [main.py:798]
{rank 0/64} MD step = 266900 step time: 00:00:00.154183 Performance: 64.130 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 14:15:48,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266900 53380 59.995 -32466 6575.6 -39041 -39041 -0.00049527 -0.00030478 9.5243e-05 4.6561e+05 2024-05-08 14:16:04,851 INFO [main.py:798]
{rank 0/64} MD step = 267000 step time: 00:00:00.151176 Performance: 64.134 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 14:16:14,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267000 53400 59.328 -32551 6502.5 -39054 -39054 -0.00028573 -0.00041907 -0.00011429 4.6579e+05 2024-05-08 14:16:30,447 INFO [main.py:798]
{rank 0/64} MD step = 267100 step time: 00:00:00.152417 Performance: 64.135 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 14:16:37,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267100 53420 59.961 -32670 6571.8 -39242 -39242 -0.00019049 -0.00036193 -0.00045717 4.6593e+05 2024-05-08 14:16:53,940 INFO [main.py:798]
{rank 0/64} MD step = 267200 step time: 00:00:00.149574 Performance: 64.138 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 14:17:04,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267200 53440 60.386 -32540 6618.4 -39158 -39158 -0.00038097 0 -0.00053336 4.6613e+05 2024-05-08 14:17:19,134 INFO [main.py:798]
{rank 0/64} MD step = 267300 step time: 00:00:00.142221 Performance: 64.140 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 14:17:28,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267300 53460 59.602 -32560 6532.5 -39093 -39093 -0.00040002 -0.00049527 -0.00060956 4.6632e+05 2024-05-08 14:17:44,939 INFO [main.py:798]
{rank 0/64} MD step = 267400 step time: 00:00:00.148233 Performance: 64.141 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 14:17:51,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267400 53480 59.676 -32646 6540.6 -39186 -39186 -0.00036193 -0.00043812 -0.00064766 4.6648e+05 2024-05-08 14:18:07,229 INFO [main.py:798]
{rank 0/64} MD step = 267500 step time: 00:00:00.150243 Performance: 64.145 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 14:18:13,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267500 53500 60.71 -32575 6653.9 -39229 -39229 -0.00026668 -0.00072385 -0.00053336 4.6662e+05 2024-05-08 14:18:29,202 INFO [main.py:798]
{rank 0/64} MD step = 267600 step time: 00:00:00.154854 Performance: 64.150 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 14:18:35,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267600 53520 59.432 -32675 6513.8 -39189 -39189 -0.00036193 -0.00018572 -0.00064766 4.668e+05 2024-05-08 14:18:51,521 INFO [main.py:798]
{rank 0/64} MD step = 267700 step time: 00:00:00.154773 Performance: 64.154 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 14:18:58,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267700 53540 59.688 -32581 6541.9 -39123 -39123 -0.00036193 -7.3814e-05 -0.00038097 4.6699e+05 2024-05-08 14:19:14,375 INFO [main.py:798]
{rank 0/64} MD step = 267800 step time: 00:00:00.147471 Performance: 64.157 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 14:19:20,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267800 53560 59.994 -32538 6575.4 -39113 -39113 -0.00040002 -0.00028573 0.00019049 4.6716e+05 2024-05-08 14:19:37,071 INFO [main.py:798]
{rank 0/64} MD step = 267900 step time: 00:00:00.143768 Performance: 64.161 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 14:19:48,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267900 53580 59.792 -32533 6553.2 -39086 -39086 -0.00030478 -0.00051431 -7.6195e-05 4.6732e+05 2024-05-08 14:20:04,349 INFO [main.py:798]
{rank 0/64} MD step = 268000 step time: 00:00:00.154495 Performance: 64.161 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 14:20:11,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268000 53600 59.881 -32419 6563 -38982 -38982 -0.00048574 -0.00041907 0 4.6752e+05 2024-05-08 14:20:27,353 INFO [main.py:798]
{rank 0/64} MD step = 268100 step time: 00:00:00.160367 Performance: 64.164 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 14:20:31,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268100 53620 60.121 -32541 6589.4 -39131 -39131 -0.00026668 -0.0001762 -0.00016191 4.677e+05 2024-05-08 14:20:49,824 INFO [main.py:798]
{rank 0/64} MD step = 268200 step time: 00:00:00.152474 Performance: 64.168 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 14:20:55,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268200 53640 60.116 -32534 6588.8 -39123 -39123 -0.00030478 -0.00040002 -0.00040002 4.6785e+05 2024-05-08 14:21:11,258 INFO [main.py:798]
{rank 0/64} MD step = 268300 step time: 00:00:00.150796 Performance: 64.173 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 14:21:18,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268300 53660 59.26 -32635 6494.9 -39130 -39130 -0.00038097 -0.00026668 -5.7146e-05 4.6802e+05 2024-05-08 14:21:33,535 INFO [main.py:798]
{rank 0/64} MD step = 268400 step time: 00:00:00.144992 Performance: 64.177 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 14:21:40,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268400 53680 59.971 -32653 6572.9 -39226 -39226 -0.00021906 -0.00041907 -0.0004905 4.6821e+05 2024-05-08 14:21:57,915 INFO [main.py:798]
{rank 0/64} MD step = 268500 step time: 00:00:00.140277 Performance: 64.180 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 14:22:04,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268500 53700 59.964 -32457 6572.1 -39029 -39029 -0.00026668 -0.00033335 -0.00060003 4.6845e+05 2024-05-08 14:22:20,386 INFO [main.py:798]
{rank 0/64} MD step = 268600 step time: 00:00:00.146476 Performance: 64.183 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 14:22:27,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268600 53720 59.65 -32608 6537.7 -39146 -39146 -0.00051431 -0.00040002 -0.00020954 4.6859e+05 2024-05-08 14:22:43,086 INFO [main.py:798]
{rank 0/64} MD step = 268700 step time: 00:00:00.155620 Performance: 64.187 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:22:48,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268700 53740 60.029 -32682 6579.2 -39261 -39261 -0.00030478 -0.00034288 -0.00038097 4.6876e+05 2024-05-08 14:23:04,400 INFO [main.py:798]
{rank 0/64} MD step = 268800 step time: 00:00:00.150753 Performance: 64.192 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:23:10,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268800 53760 59.978 -32605 6573.7 -39178 -39178 -0.00019049 0 -0.00051431 4.6894e+05 2024-05-08 14:23:26,326 INFO [main.py:798]
{rank 0/64} MD step = 268900 step time: 00:00:00.140677 Performance: 64.197 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:23:31,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268900 53780 59.972 -32626 6573 -39199 -39199 -0.00026668 -0.00040002 -0.00043812 4.6913e+05 2024-05-08 14:23:48,572 INFO [main.py:798]
{rank 0/64} MD step = 269000 step time: 00:00:00.144076 Performance: 64.201 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:23:58,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269000 53800 59.806 -32503 6554.8 -39058 -39058 -0.00030478 -0.00055241 -0.00051431 4.6934e+05 2024-05-08 14:24:20,680 INFO [main.py:798]
{rank 0/64} MD step = 269100 step time: 00:00:00.159410 Performance: 64.196 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:24:25,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269100 53820 60.228 -32584 6601.1 -39185 -39185 -0.00024763 -0.00034288 -0.00011429 4.6949e+05 2024-05-08 14:24:41,480 INFO [main.py:798]
{rank 0/64} MD step = 269200 step time: 00:00:00.162287 Performance: 64.202 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:25:02,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269200 53840 59.65 -32664 6537.7 -39202 -39202 -0.00045717 -0.00053336 -0.00015239 4.6964e+05 2024-05-08 14:25:19,256 INFO [main.py:798]
{rank 0/64} MD step = 269300 step time: 00:00:00.159881 Performance: 64.192 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:25:24,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269300 53860 59.761 -32559 6549.9 -39109 -39109 9.5243e-06 -0.00053336 -0.0003524 4.6984e+05 2024-05-08 14:25:40,765 INFO [main.py:798]
{rank 0/64} MD step = 269400 step time: 00:00:00.159725 Performance: 64.197 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:25:46,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269400 53880 60.277 -32560 6606.4 -39166 -39166 -0.00030478 -0.00051908 -0.00054289 4.7001e+05 2024-05-08 14:26:02,386 INFO [main.py:798]
{rank 0/64} MD step = 269500 step time: 00:00:00.159118 Performance: 64.201 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 14:26:08,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269500 53900 59.861 -32483 6560.9 -39044 -39044 -0.00034288 -0.00038097 -0.00047622 4.7018e+05 2024-05-08 14:26:26,566 INFO [main.py:798]
{rank 0/64} MD step = 269600 step time: 00:00:00.165537 Performance: 64.204 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 14:26:32,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269600 53920 59.361 -32561 6506 -39067 -39067 -0.00030954 -0.00028573 -0.00011429 4.7034e+05 2024-05-08 14:26:49,394 INFO [main.py:798]
{rank 0/64} MD step = 269700 step time: 00:00:00.161153 Performance: 64.207 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 14:26:54,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269700 53940 60.037 -32486 6580.1 -39066 -39066 -0.00034288 -0.00045717 -0.00040002 4.7049e+05 2024-05-08 14:27:10,555 INFO [main.py:798]
{rank 0/64} MD step = 269800 step time: 00:00:00.148377 Performance: 64.213 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 14:27:15,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269800 53960 60.212 -32463 6599.3 -39062 -39062 -0.00030478 -0.00043812 -0.00062861 4.7068e+05 2024-05-08 14:27:31,795 INFO [main.py:798]
{rank 0/64} MD step = 269900 step time: 00:00:00.151758 Performance: 64.218 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 14:27:37,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269900 53980 59.073 -32711 6474.4 -39185 -39185 -0.00010953 -0.00060956 -0.00073337 4.7084e+05 2024-05-08 14:27:53,009 INFO [main.py:798]
{rank 0/64} MD step = 270000 step time: 00:00:00.160443 Performance: 64.223 ns/day 0.374 hours/ns 3.717 steps/s 2024-05-08 14:27:58,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270000 54000 60.619 -32432 6644 -39076 -39076 -0.00030478 -0.00027621 -0.00060956 4.7103e+05 2024-05-08 14:28:14,625 INFO [main.py:798]
{rank 0/64} MD step = 270100 step time: 00:00:00.155337 Performance: 64.227 ns/day 0.374 hours/ns 3.717 steps/s 2024-05-08 14:28:19,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270100 54020 59.833 -32594 6557.8 -39152 -39152 -0.00040955 -0.00022858 -0.00068575 4.7119e+05 2024-05-08 14:28:36,128 INFO [main.py:798]
{rank 0/64} MD step = 270200 step time: 00:00:00.145279 Performance: 64.232 ns/day 0.374 hours/ns 3.717 steps/s 2024-05-08 14:28:40,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270200 54040 60.093 -32574 6586.3 -39160 -39160 -0.00022858 -0.00045717 -0.00052384 4.7136e+05 2024-05-08 14:28:57,176 INFO [main.py:798]
{rank 0/64} MD step = 270300 step time: 00:00:00.156770 Performance: 64.237 ns/day 0.374 hours/ns 3.717 steps/s 2024-05-08 14:29:02,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270300 54060 60.037 -32631 6580.2 -39211 -39211 7.6195e-05 -0.00022858 -0.00034288 4.7155e+05 2024-05-08 14:29:18,820 INFO [main.py:798]
{rank 0/64} MD step = 270400 step time: 00:00:00.159473 Performance: 64.242 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 14:29:25,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270400 54080 60.271 -32621 6605.8 -39227 -39227 -0.00055241 -0.00080481 -0.00046669 4.7169e+05 2024-05-08 14:29:41,121 INFO [main.py:798]
{rank 0/64} MD step = 270500 step time: 00:00:00.154836 Performance: 64.246 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 14:29:48,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270500 54100 60.439 -32501 6624.2 -39125 -39125 -0.00029525 -0.00038097 -0.0007048 4.7186e+05 2024-05-08 14:30:03,932 INFO [main.py:798]
{rank 0/64} MD step = 270600 step time: 00:00:00.156020 Performance: 64.250 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 14:30:08,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270600 54120 58.718 -32761 6435.6 -39197 -39197 9.5243e-05 -0.00040002 -0.00060956 4.7202e+05 2024-05-08 14:30:25,933 INFO [main.py:798]
{rank 0/64} MD step = 270700 step time: 00:00:00.151290 Performance: 64.254 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 14:30:34,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270700 54140 60.275 -32515 6606.2 -39121 -39121 -0.0003143 -0.00059051 -0.00027859 4.7219e+05 2024-05-08 14:30:50,252 INFO [main.py:798]
{rank 0/64} MD step = 270800 step time: 00:00:00.165258 Performance: 64.256 ns/day 0.374 hours/ns 3.719 steps/s 2024-05-08 14:30:54,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270800 54160 59.63 -32373 6535.5 -38908 -38908 -0.00036193 -0.0007429 -0.0006667 4.7243e+05 2024-05-08 14:31:12,147 INFO [main.py:798]
{rank 0/64} MD step = 270900 step time: 00:00:00.152257 Performance: 64.261 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 14:31:18,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270900 54180 60.318 -32652 6610.9 -39263 -39263 -0.00038097 -0.00047146 4.7622e-05 4.7253e+05 2024-05-08 14:31:34,434 INFO [main.py:798]
{rank 0/64} MD step = 271000 step time: 00:00:00.153566 Performance: 64.265 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 14:31:41,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271000 54200 60.491 -32518 6629.8 -39148 -39148 -0.00030478 -0.00060956 -0.00047622 4.7272e+05 2024-05-08 14:31:59,705 INFO [main.py:798]
{rank 0/64} MD step = 271100 step time: 00:00:00.159431 Performance: 64.266 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 14:32:07,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271100 54220 59.49 -32593 6520.2 -39113 -39113 9.0481e-05 -0.00025716 -0.00010477 4.729e+05 2024-05-08 14:32:24,364 INFO [main.py:798]
{rank 0/64} MD step = 271200 step time: 00:00:00.162452 Performance: 64.268 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 14:32:31,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271200 54240 59.274 -32684 6496.5 -39181 -39181 -0.00030478 -0.00026668 -0.00051431 4.7306e+05 2024-05-08 14:32:48,419 INFO [main.py:798]
{rank 0/64} MD step = 271300 step time: 00:00:00.166400 Performance: 64.270 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 14:32:54,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271300 54260 59.536 -32594 6525.2 -39119 -39119 -0.00040002 -0.0004286 -0.00023811 4.7321e+05 2024-05-08 14:33:10,055 INFO [main.py:798]
{rank 0/64} MD step = 271400 step time: 00:00:00.155173 Performance: 64.275 ns/day 0.373 hours/ns 3.720 steps/s 2024-05-08 14:33:16,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271400 54280 60.375 -32480 6617.2 -39098 -39098 -0.00019049 -0.00040002 -0.00063813 4.7338e+05 2024-05-08 14:33:31,594 INFO [main.py:798]
{rank 0/64} MD step = 271500 step time: 00:00:00.161239 Performance: 64.280 ns/day 0.373 hours/ns 3.720 steps/s 2024-05-08 14:33:36,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271500 54300 59.668 -32563 6539.7 -39102 -39102 -0.00032383 -0.00032383 -0.00024763 4.7356e+05 2024-05-08 14:33:52,118 INFO [main.py:798]
{rank 0/64} MD step = 271600 step time: 00:00:00.184075 Performance: 64.285 ns/day 0.373 hours/ns 3.720 steps/s 2024-05-08 14:33:58,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271600 54320 59.907 -32531 6565.9 -39097 -39097 -0.00019049 -0.00032383 -0.00068575 4.7372e+05 2024-05-08 14:34:13,663 INFO [main.py:798]
{rank 0/64} MD step = 271700 step time: 00:00:00.161656 Performance: 64.290 ns/day 0.373 hours/ns 3.720 steps/s 2024-05-08 14:34:20,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271700 54340 60.338 -32578 6613.1 -39192 -39192 -0.00044764 -0.00043812 7.6195e-05 4.7387e+05 2024-05-08 14:34:36,021 INFO [main.py:798]
{rank 0/64} MD step = 271800 step time: 00:00:00.151724 Performance: 64.294 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 14:34:39,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271800 54360 60.246 -32650 6603.1 -39253 -39253 -0.00029525 -0.00028573 -0.00013334 4.7406e+05 2024-05-08 14:34:56,909 INFO [main.py:798]
{rank 0/64} MD step = 271900 step time: 00:00:00.157284 Performance: 64.299 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 14:35:02,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271900 54380 61.371 -32329 6726.3 -39056 -39056 -0.00026668 -0.00022858 -0.00045717 4.7427e+05 2024-05-08 14:35:17,758 INFO [main.py:798]
{rank 0/64} MD step = 272000 step time: 00:00:00.156537 Performance: 64.305 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 14:35:26,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272000 54400 59.884 -32554 6563.3 -39117 -39117 0.00020954 1.9049e-05 -0.00040002 4.7443e+05 2024-05-08 14:35:41,913 INFO [main.py:798]
{rank 0/64} MD step = 272100 step time: 00:00:00.160458 Performance: 64.307 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 14:35:52,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272100 54420 59.28 -32664 6497.2 -39161 -39161 -0.00030478 -0.00055241 -0.00036193 4.7456e+05 2024-05-08 14:36:07,852 INFO [main.py:798]
{rank 0/64} MD step = 272200 step time: 00:00:00.164437 Performance: 64.308 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 14:36:13,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272200 54440 59.768 -32521 6550.7 -39072 -39072 -0.00017144 -0.00060956 -0.00060956 4.7475e+05 2024-05-08 14:36:29,826 INFO [main.py:798]
{rank 0/64} MD step = 272300 step time: 00:00:00.172133 Performance: 64.312 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 14:36:36,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272300 54460 60.566 -32487 6638.1 -39125 -39125 -0.00017144 -0.00049527 -0.00072385 4.7493e+05 2024-05-08 14:36:53,026 INFO [main.py:798]
{rank 0/64} MD step = 272400 step time: 00:00:00.172441 Performance: 64.315 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 14:36:58,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272400 54480 60.538 -32466 6635 -39101 -39101 -0.00036193 -0.00019049 0 4.7512e+05 2024-05-08 14:37:14,757 INFO [main.py:798]
{rank 0/64} MD step = 272500 step time: 00:00:00.157023 Performance: 64.320 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 14:37:23,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272500 54500 60.501 -32519 6631 -39150 -39150 -9.5243e-05 -0.00053336 -3.8097e-05 4.7526e+05 2024-05-08 14:37:38,886 INFO [main.py:798]
{rank 0/64} MD step = 272600 step time: 00:00:00.156462 Performance: 64.322 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 14:37:48,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272600 54520 59.855 -32551 6560.1 -39111 -39111 -0.00032383 -0.00040002 -0.00014287 4.7546e+05 2024-05-08 14:38:05,698 INFO [main.py:798]
{rank 0/64} MD step = 272700 step time: 00:00:00.175041 Performance: 64.322 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 14:38:13,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272700 54540 60.561 -32548 6637.5 -39186 -39186 -0.00026668 -0.00011429 -0.00064766 4.7561e+05 2024-05-08 14:38:28,857 INFO [main.py:798]
{rank 0/64} MD step = 272800 step time: 00:00:00.165057 Performance: 64.326 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 14:38:35,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272800 54560 59.833 -32614 6557.8 -39172 -39172 3.8097e-05 -0.0006667 -4.7622e-05 4.7579e+05 2024-05-08 14:38:50,521 INFO [main.py:798]
{rank 0/64} MD step = 272900 step time: 00:00:00.152400 Performance: 64.330 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 14:38:55,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272900 54580 60.423 -32437 6622.5 -39059 -39059 -0.00045717 -0.00060956 -0.00064766 4.7597e+05 2024-05-08 14:39:11,187 INFO [main.py:798]
{rank 0/64} MD step = 273000 step time: 00:00:00.155715 Performance: 64.336 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 14:39:16,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273000 54600 60.402 -32488 6620.1 -39108 -39108 0 -0.00051431 -0.00057146 4.7618e+05 2024-05-08 14:39:32,631 INFO [main.py:798]
{rank 0/64} MD step = 273100 step time: 00:00:00.144647 Performance: 64.340 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 14:39:37,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273100 54620 60.121 -32786 6589.4 -39375 -39375 -0.0003524 -0.00049527 -0.00062861 4.7629e+05 2024-05-08 14:39:53,578 INFO [main.py:798]
{rank 0/64} MD step = 273200 step time: 00:00:00.145030 Performance: 64.346 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:39:58,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273200 54640 60.735 -32452 6656.6 -39109 -39109 -0.00041907 -0.00041907 -0.00056194 4.7649e+05 2024-05-08 14:40:16,822 INFO [main.py:798]
{rank 0/64} MD step = 273300 step time: 00:00:00.156589 Performance: 64.349 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:40:27,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273300 54660 59.836 -32673 6558.1 -39231 -39231 -0.00040478 -0.00047622 -0.00077147 4.7663e+05 2024-05-08 14:40:43,686 INFO [main.py:798]
{rank 0/64} MD step = 273400 step time: 00:00:00.162993 Performance: 64.349 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:40:50,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273400 54680 59.889 -32502 6563.9 -39066 -39066 -0.00043812 -0.00045241 -0.000781 4.7683e+05 2024-05-08 14:41:06,516 INFO [main.py:798]
{rank 0/64} MD step = 273500 step time: 00:00:00.152868 Performance: 64.352 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:41:13,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273500 54700 59.736 -32441 6547.1 -38988 -38988 -0.00034288 -0.00051431 -0.00045717 4.7703e+05 2024-05-08 14:41:29,656 INFO [main.py:798]
{rank 0/64} MD step = 273600 step time: 00:00:00.156819 Performance: 64.355 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:41:35,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273600 54720 60.703 -32599 6653.1 -39253 -39253 -0.00037145 -0.00049527 -0.00068575 4.7716e+05 2024-05-08 14:41:50,943 INFO [main.py:798]
{rank 0/64} MD step = 273700 step time: 00:00:00.149895 Performance: 64.360 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:41:58,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273700 54740 61.125 -32479 6699.3 -39179 -39179 -0.00065718 -3.8097e-05 -0.00060956 4.7734e+05 2024-05-08 14:42:14,291 INFO [main.py:798]
{rank 0/64} MD step = 273800 step time: 00:00:00.142216 Performance: 64.363 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:42:23,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273800 54760 59.68 -32617 6541 -39158 -39158 -0.00034288 -0.00047622 -0.00083814 4.7751e+05 2024-05-08 14:42:38,872 INFO [main.py:798]
{rank 0/64} MD step = 273900 step time: 00:00:00.148641 Performance: 64.365 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:42:42,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273900 54780 60.567 -32505 6638.2 -39144 -39144 -0.00030478 -0.00030478 -0.00051431 4.7769e+05 2024-05-08 14:43:00,186 INFO [main.py:798]
{rank 0/64} MD step = 274000 step time: 00:00:00.156169 Performance: 64.370 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:43:07,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274000 54800 59.695 -32533 6542.7 -39076 -39076 -0.00016668 5.7146e-05 5.7146e-05 4.7788e+05 2024-05-08 14:43:23,480 INFO [main.py:798]
{rank 0/64} MD step = 274100 step time: 00:00:00.145958 Performance: 64.373 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:43:29,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274100 54820 60.297 -32603 6608.6 -39212 -39212 -0.00019049 -0.00022382 -0.00019049 4.7803e+05 2024-05-08 14:43:45,658 INFO [main.py:798]
{rank 0/64} MD step = 274200 step time: 00:00:00.183014 Performance: 64.377 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 14:44:41,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274200 54840 60.32 -32541 6611.1 -39152 -39152 -0.00028573 -0.00040002 -0.00045717 4.7821e+05 2024-05-08 14:44:56,681 INFO [main.py:798]
{rank 0/64} MD step = 274300 step time: 00:00:00.155535 Performance: 64.339 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 14:45:03,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274300 54860 59.956 -32448 6571.2 -39019 -39019 -0.00047622 -0.00020954 -0.00067147 4.784e+05 2024-05-08 14:45:19,551 INFO [main.py:798]
{rank 0/64} MD step = 274400 step time: 00:00:00.164419 Performance: 64.342 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:45:26,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274400 54880 59.79 -32574 6553.1 -39127 -39127 -0.00037145 -0.00048574 3.8097e-05 4.7854e+05 2024-05-08 14:45:42,062 INFO [main.py:798]
{rank 0/64} MD step = 274500 step time: 00:00:00.169177 Performance: 64.346 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:45:47,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274500 54900 59.928 -32719 6568.2 -39287 -39287 -0.00034288 -0.00062384 -0.00068575 4.7869e+05 2024-05-08 14:46:03,421 INFO [main.py:798]
{rank 0/64} MD step = 274600 step time: 00:00:00.177979 Performance: 64.351 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:46:10,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274600 54920 59.201 -32778 6488.5 -39266 -39266 -0.00053336 -0.0003905 -0.00058099 4.7888e+05 2024-05-08 14:46:25,020 INFO [main.py:798]
{rank 0/64} MD step = 274700 step time: 00:00:00.162221 Performance: 64.355 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:46:35,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274700 54940 60.905 -32460 6675.3 -39136 -39136 -0.00015239 -0.00034288 -0.00034288 4.7909e+05 2024-05-08 14:46:50,909 INFO [main.py:798]
{rank 0/64} MD step = 274800 step time: 00:00:00.159784 Performance: 64.356 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:46:57,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274800 54960 60.273 -32449 6606 -39055 -39055 -0.00017144 -0.00036193 -0.00041907 4.7929e+05 2024-05-08 14:47:14,416 INFO [main.py:798]
{rank 0/64} MD step = 274900 step time: 00:00:00.162113 Performance: 64.359 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 14:47:20,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274900 54980 61.189 -32509 6706.4 -39216 -39216 -0.00028573 -0.00049527 -6.4289e-05 4.7944e+05 2024-05-08 14:47:36,593 INFO [main.py:798]
{rank 0/64} MD step = 275000 step time: 00:00:00.165346 Performance: 64.363 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:47:43,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275000 55000 59.477 -32634 6518.7 -39153 -39153 0.00011429 -0.00060956 3.8097e-05 4.7964e+05 2024-05-08 14:47:59,090 INFO [main.py:798]
{rank 0/64} MD step = 275100 step time: 00:00:00.164078 Performance: 64.367 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:48:07,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275100 55020 59.562 -32483 6528.1 -39011 -39011 -0.00047622 -0.00045717 -0.00034288 4.7977e+05 2024-05-08 14:48:23,077 INFO [main.py:798]
{rank 0/64} MD step = 275200 step time: 00:00:00.163025 Performance: 64.370 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:48:28,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275200 55040 59.35 -32584 6504.8 -39089 -39089 -0.00040002 -0.00046669 -0.00030478 4.7995e+05 2024-05-08 14:48:46,511 INFO [main.py:798]
{rank 0/64} MD step = 275300 step time: 00:00:00.158139 Performance: 64.373 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:48:54,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275300 55060 59.93 -32521 6568.4 -39089 -39089 5.7146e-05 -0.00040955 -0.0006667 4.8015e+05 2024-05-08 14:49:09,847 INFO [main.py:798]
{rank 0/64} MD step = 275400 step time: 00:00:00.170170 Performance: 64.376 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:49:26,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275400 55080 60.329 -32642 6612.1 -39254 -39254 -0.00053336 -0.00045717 -0.00028573 4.8025e+05 2024-05-08 14:49:43,004 INFO [main.py:798]
{rank 0/64} MD step = 275500 step time: 00:00:00.148860 Performance: 64.370 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:49:51,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275500 55100 59.945 -32614 6570 -39184 -39184 -9.5243e-05 -0.00053336 -0.00049527 4.8048e+05 2024-05-08 14:50:07,198 INFO [main.py:798]
{rank 0/64} MD step = 275600 step time: 00:00:00.147090 Performance: 64.372 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:50:20,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275600 55120 60.595 -32593 6641.3 -39235 -39235 0.00013334 -0.00053336 0.00010953 4.8064e+05 2024-05-08 14:50:36,345 INFO [main.py:798]
{rank 0/64} MD step = 275700 step time: 00:00:00.156377 Performance: 64.370 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:50:42,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275700 55140 59.862 -32577 6560.9 -39138 -39138 -0.00034288 -0.00036193 7.6195e-05 4.8081e+05 2024-05-08 14:50:58,098 INFO [main.py:798]
{rank 0/64} MD step = 275800 step time: 00:00:00.158545 Performance: 64.375 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:51:09,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275800 55160 59.44 -32722 6514.7 -39236 -39236 -0.00032383 -0.00028573 -3.8097e-05 4.8098e+05 2024-05-08 14:51:26,005 INFO [main.py:798]
{rank 0/64} MD step = 275900 step time: 00:00:00.161914 Performance: 64.374 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:51:35,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275900 55180 59.914 -32519 6566.7 -39086 -39086 -0.00038097 -0.00055241 -0.00073337 4.8117e+05 2024-05-08 14:51:51,516 INFO [main.py:798]
{rank 0/64} MD step = 276000 step time: 00:00:00.165380 Performance: 64.375 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:51:58,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276000 55200 60.314 -32401 6610.5 -39012 -39012 -0.00026668 -0.00041907 0 4.8135e+05 2024-05-08 14:52:16,565 INFO [main.py:798]
{rank 0/64} MD step = 276100 step time: 00:00:00.154980 Performance: 64.377 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 14:52:27,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276100 55220 60.866 -32367 6671 -39038 -39038 1.9049e-05 -0.00041907 -0.00028573 4.8151e+05 2024-05-08 14:52:43,161 INFO [main.py:798]
{rank 0/64} MD step = 276200 step time: 00:00:00.150002 Performance: 64.377 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 14:52:49,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276200 55240 60.284 -32542 6607.2 -39149 -39149 -0.00046669 -0.00049527 -0.00028573 4.8167e+05 2024-05-08 14:53:05,954 INFO [main.py:798]
{rank 0/64} MD step = 276300 step time: 00:00:00.161649 Performance: 64.380 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 14:53:11,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276300 55260 59.553 -32731 6527.1 -39258 -39258 -7.6195e-05 -0.00072385 -0.00051431 4.8186e+05 2024-05-08 14:53:27,446 INFO [main.py:798]
{rank 0/64} MD step = 276400 step time: 00:00:00.160754 Performance: 64.385 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 14:53:35,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276400 55280 60.31 -32632 6610.1 -39242 -39242 -0.00017144 -0.00068575 -0.00053336 4.8203e+05 2024-05-08 14:53:51,209 INFO [main.py:798]
{rank 0/64} MD step = 276500 step time: 00:00:00.156523 Performance: 64.388 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 14:53:57,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276500 55300 60.273 -32511 6606 -39117 -39117 -0.00038097 -0.00049527 -0.00040002 4.8223e+05 2024-05-08 14:54:13,175 INFO [main.py:798]
{rank 0/64} MD step = 276600 step time: 00:00:00.155582 Performance: 64.392 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 14:54:19,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276600 55320 60.162 -32619 6593.8 -39213 -39213 -0.00044288 -0.00046669 -0.00047146 4.8241e+05 2024-05-08 14:54:35,762 INFO [main.py:798]
{rank 0/64} MD step = 276700 step time: 00:00:00.160637 Performance: 64.396 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:54:44,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276700 55340 59.024 -32758 6469.1 -39227 -39227 -0.00030478 -0.00038574 -0.00061432 4.8256e+05 2024-05-08 14:54:59,696 INFO [main.py:798]
{rank 0/64} MD step = 276800 step time: 00:00:00.158829 Performance: 64.398 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:55:17,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276800 55360 59.361 -32606 6506 -39112 -39112 5.7146e-05 -0.00056194 -0.0003524 4.8276e+05 2024-05-08 14:55:32,508 INFO [main.py:798]
{rank 0/64} MD step = 276900 step time: 00:00:00.148112 Performance: 64.393 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 14:55:43,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276900 55380 59.699 -32637 6543.1 -39180 -39180 -0.00013334 -0.00064766 -0.00057622 4.8293e+05 2024-05-08 14:55:59,890 INFO [main.py:798]
{rank 0/64} MD step = 277000 step time: 00:00:00.149209 Performance: 64.392 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 14:56:08,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277000 55400 60.529 -32607 6634 -39241 -39241 -0.00049527 -9.5243e-05 -0.00041907 4.8312e+05 2024-05-08 14:56:24,328 INFO [main.py:798]
{rank 0/64} MD step = 277100 step time: 00:00:00.148673 Performance: 64.395 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:56:35,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277100 55420 59.609 -32600 6533.2 -39134 -39134 -0.00015239 -0.0003524 -0.00047622 4.8331e+05 2024-05-08 14:56:51,416 INFO [main.py:798]
{rank 0/64} MD step = 277200 step time: 00:00:00.154979 Performance: 64.394 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:56:58,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277200 55440 60.042 -32602 6580.7 -39182 -39182 -0.00053336 -0.00047146 -0.000781 4.8346e+05 2024-05-08 14:57:13,509 INFO [main.py:798]
{rank 0/64} MD step = 277300 step time: 00:00:00.142983 Performance: 64.398 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:57:23,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277300 55460 59.269 -32597 6496 -39093 -39093 -0.00049527 -0.00022858 -0.00049527 4.8366e+05 2024-05-08 14:57:38,811 INFO [main.py:798]
{rank 0/64} MD step = 277400 step time: 00:00:00.140511 Performance: 64.400 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:57:44,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277400 55480 59.776 -32644 6551.6 -39196 -39196 -0.00029525 -0.00059051 -0.00047622 4.8384e+05 2024-05-08 14:58:00,304 INFO [main.py:798]
{rank 0/64} MD step = 277500 step time: 00:00:00.152828 Performance: 64.404 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:58:07,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277500 55500 60.305 -32524 6609.5 -39133 -39133 -0.00045717 -0.00058099 -0.00013334 4.8404e+05 2024-05-08 14:58:22,934 INFO [main.py:798]
{rank 0/64} MD step = 277600 step time: 00:00:00.145363 Performance: 64.408 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:58:31,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277600 55520 60.685 -32568 6651.1 -39219 -39219 -0.0004286 -0.00055241 -0.00053336 4.8421e+05 2024-05-08 14:58:46,654 INFO [main.py:798]
{rank 0/64} MD step = 277700 step time: 00:00:00.142148 Performance: 64.411 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 14:58:53,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277700 55540 60.381 -32568 6617.8 -39186 -39186 -0.00044764 -0.00040955 -0.00015239 4.8442e+05 2024-05-08 14:59:09,424 INFO [main.py:798]
{rank 0/64} MD step = 277800 step time: 00:00:00.149127 Performance: 64.414 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 14:59:16,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277800 55560 60.106 -32590 6587.7 -39177 -39177 -0.00047622 -0.00032383 -0.00052384 4.8458e+05 2024-05-08 14:59:32,127 INFO [main.py:798]
{rank 0/64} MD step = 277900 step time: 00:00:00.139041 Performance: 64.418 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 14:59:39,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277900 55580 59.554 -32491 6527.2 -39018 -39018 -0.00043812 -0.00061908 -7.6195e-05 4.8476e+05 2024-05-08 14:59:54,534 INFO [main.py:798]
{rank 0/64} MD step = 278000 step time: 00:00:00.148380 Performance: 64.422 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 15:00:01,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278000 55600 59.606 -32666 6532.9 -39199 -39199 -0.00041907 -0.00037145 -0.00013334 4.8493e+05 2024-05-08 15:00:17,757 INFO [main.py:798]
{rank 0/64} MD step = 278100 step time: 00:00:00.145699 Performance: 64.425 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 15:00:26,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278100 55620 60.971 -32539 6682.4 -39222 -39222 -0.00040002 -0.00044764 -0.00065718 4.8509e+05 2024-05-08 15:00:42,605 INFO [main.py:798]
{rank 0/64} MD step = 278200 step time: 00:00:00.164191 Performance: 64.426 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 15:00:52,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278200 55640 59.962 -32612 6572 -39184 -39184 -0.00047146 -0.00024763 -0.00044764 4.8527e+05 2024-05-08 15:01:07,055 INFO [main.py:798]
{rank 0/64} MD step = 278300 step time: 00:00:00.134075 Performance: 64.428 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 15:01:17,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278300 55660 59.58 -32683 6530 -39213 -39213 -0.00034288 -0.00045717 -0.00033811 4.8545e+05 2024-05-08 15:01:32,952 INFO [main.py:798]
{rank 0/64} MD step = 278400 step time: 00:00:00.152078 Performance: 64.429 ns/day 0.373 hours/ns 3.729 steps/s 2024-05-08 15:01:41,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278400 55680 59.642 -32441 6536.8 -38978 -38978 -0.00023335 -0.00038097 -0.00038574 4.8565e+05 2024-05-08 15:01:56,561 INFO [main.py:798]
{rank 0/64} MD step = 278500 step time: 00:00:00.142144 Performance: 64.432 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 15:02:05,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278500 55700 60.769 -32505 6660.4 -39165 -39165 -0.00043812 -0.00049527 -0.00026668 4.858e+05 2024-05-08 15:02:22,046 INFO [main.py:798]
{rank 0/64} MD step = 278600 step time: 00:00:00.151037 Performance: 64.433 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 15:02:35,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278600 55720 59.771 -32557 6551 -39108 -39108 -0.00043812 -0.00029525 -0.00045717 4.8597e+05 2024-05-08 15:02:51,390 INFO [main.py:798]
{rank 0/64} MD step = 278700 step time: 00:00:00.146593 Performance: 64.431 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 15:02:58,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278700 55740 60.254 -32558 6604 -39162 -39162 -0.00040002 -0.00045717 -9.5243e-05 4.8615e+05 2024-05-08 15:03:14,413 INFO [main.py:798]
{rank 0/64} MD step = 278800 step time: 00:00:00.146430 Performance: 64.434 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 15:03:22,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278800 55760 60.033 -32670 6579.7 -39250 -39250 -0.00038097 -0.00029049 -0.00024763 4.8635e+05 2024-05-08 15:03:38,583 INFO [main.py:798]
{rank 0/64} MD step = 278900 step time: 00:00:00.148551 Performance: 64.437 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 15:03:44,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278900 55780 60.259 -32533 6604.4 -39137 -39137 -0.00030478 -0.00053336 -0.00052384 4.8653e+05 2024-05-08 15:04:00,210 INFO [main.py:798]
{rank 0/64} MD step = 279000 step time: 00:00:00.149357 Performance: 64.441 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 15:04:05,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279000 55800 60.022 -32540 6578.5 -39119 -39119 -0.00032383 -0.00023811 -0.00060956 4.8671e+05 2024-05-08 15:04:21,726 INFO [main.py:798]
{rank 0/64} MD step = 279100 step time: 00:00:00.153033 Performance: 64.446 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 15:04:30,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279100 55820 60.04 -32692 6580.4 -39273 -39273 -0.00041907 -0.00050479 -0.00076195 4.8685e+05 2024-05-08 15:04:45,725 INFO [main.py:798]
{rank 0/64} MD step = 279200 step time: 00:00:00.146881 Performance: 64.448 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 15:04:52,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279200 55840 60.981 -32475 6683.6 -39158 -39158 -0.00032383 -0.00060956 -0.00033335 4.8706e+05 2024-05-08 15:05:08,248 INFO [main.py:798]
{rank 0/64} MD step = 279300 step time: 00:00:00.145145 Performance: 64.452 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 15:05:15,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279300 55860 60.423 -32431 6622.5 -39053 -39053 -0.00048574 -0.0003143 -0.0003524 4.8725e+05 2024-05-08 15:05:31,301 INFO [main.py:798]
{rank 0/64} MD step = 279400 step time: 00:00:00.157727 Performance: 64.455 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 15:05:38,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279400 55880 59.435 -32706 6514.1 -39221 -39221 -0.00049527 -0.00022858 -0.00040955 4.8739e+05 2024-05-08 15:05:56,639 INFO [main.py:798]
{rank 0/64} MD step = 279500 step time: 00:00:00.154429 Performance: 64.456 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 15:06:04,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279500 55900 59.652 -32622 6537.9 -39160 -39160 -0.00048098 -0.00043812 -0.00030478 4.876e+05 2024-05-08 15:06:25,043 INFO [main.py:798]
{rank 0/64} MD step = 279600 step time: 00:00:00.156383 Performance: 64.455 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 15:06:31,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279600 55920 59.671 -32624 6540 -39164 -39164 -0.00030478 -0.00039526 -0.00046669 4.8775e+05 2024-05-08 15:06:46,878 INFO [main.py:798]
{rank 0/64} MD step = 279700 step time: 00:00:00.152894 Performance: 64.459 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 15:06:52,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279700 55940 59.569 -32710 6528.8 -39239 -39239 -0.00045717 -0.00028573 -0.00072385 4.8792e+05 2024-05-08 15:07:09,449 INFO [main.py:798]
{rank 0/64} MD step = 279800 step time: 00:00:00.157150 Performance: 64.463 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 15:07:14,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279800 55960 59.352 -32693 6505 -39198 -39198 -0.00020954 -0.00051431 -0.00041907 4.881e+05 2024-05-08 15:07:31,762 INFO [main.py:798]
{rank 0/64} MD step = 279900 step time: 00:00:00.152937 Performance: 64.467 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 15:07:37,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279900 55980 60.319 -32455 6611 -39066 -39066 -0.00022858 -0.00051431 -0.00062861 4.8829e+05 2024-05-08 15:07:53,572 INFO [main.py:798]
{rank 0/64} MD step = 280000 step time: 00:00:00.155480 Performance: 64.471 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 15:07:59,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280000 56000 60.02 -32526 6578.3 -39104 -39104 -9.5243e-05 0.00013334 -0.00068575 4.8846e+05 2024-05-08 15:08:14,970 INFO [main.py:798]
{rank 0/64} MD step = 280100 step time: 00:00:00.161836 Performance: 64.475 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 15:08:22,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280100 56020 60.252 -32498 6603.7 -39102 -39102 -0.00026668 -0.00049527 -0.00038097 4.8862e+05 2024-05-08 15:08:37,637 INFO [main.py:798]
{rank 0/64} MD step = 280200 step time: 00:00:00.157963 Performance: 64.479 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 15:08:46,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280200 56040 60.75 -32609 6658.3 -39267 -39267 -3.8097e-05 -0.0003143 -0.00032383 4.8876e+05 2024-05-08 15:09:01,750 INFO [main.py:798]
{rank 0/64} MD step = 280300 step time: 00:00:00.150567 Performance: 64.481 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 15:09:11,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280300 56060 59.351 -32662 6504.9 -39167 -39167 -7.6195e-05 -0.00034288 -0.00068575 4.8896e+05 2024-05-08 15:09:26,706 INFO [main.py:798]
{rank 0/64} MD step = 280400 step time: 00:00:00.161463 Performance: 64.483 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 15:09:31,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280400 56080 60.088 -32594 6585.7 -39180 -39180 -0.00023811 -0.00036193 -0.00056194 4.8912e+05 2024-05-08 15:09:48,849 INFO [main.py:798]
{rank 0/64} MD step = 280500 step time: 00:00:00.170174 Performance: 64.487 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 15:09:55,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280500 56100 60.376 -32504 6617.3 -39122 -39122 -0.00023811 -7.6195e-05 -0.00057146 4.8929e+05 2024-05-08 15:10:10,184 INFO [main.py:798]
{rank 0/64} MD step = 280600 step time: 00:00:00.170520 Performance: 64.492 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 15:10:14,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280600 56120 59.741 -32660 6547.7 -39208 -39208 -0.00026668 -0.00036669 -7.6195e-05 4.8947e+05 2024-05-08 15:10:32,567 INFO [main.py:798]
{rank 0/64} MD step = 280700 step time: 00:00:00.168783 Performance: 64.495 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 15:10:39,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280700 56140 60.151 -32539 6592.6 -39131 -39131 -0.00032383 -0.00015239 -0.00050955 4.8967e+05 2024-05-08 15:10:55,261 INFO [main.py:798]
{rank 0/64} MD step = 280800 step time: 00:00:00.165518 Performance: 64.499 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 15:10:59,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280800 56160 59.975 -32558 6573.3 -39131 -39131 -0.00023811 -0.00068575 -0.00020954 4.8983e+05 2024-05-08 15:11:16,365 INFO [main.py:798]
{rank 0/64} MD step = 280900 step time: 00:00:00.154801 Performance: 64.504 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 15:11:22,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280900 56180 59.184 -32548 6486.7 -39034 -39034 -0.00021906 -0.00034288 -0.00076195 4.9001e+05 2024-05-08 15:11:38,862 INFO [main.py:798]
{rank 0/64} MD step = 281000 step time: 00:00:00.159743 Performance: 64.507 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 15:11:44,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281000 56200 59.919 -32605 6567.2 -39172 -39172 -0.00024763 -0.00059527 0.00020001 4.9017e+05 2024-05-08 15:12:00,493 INFO [main.py:798]
{rank 0/64} MD step = 281100 step time: 00:00:00.164873 Performance: 64.512 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 15:12:08,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281100 56220 60.291 -32460 6608 -39068 -39068 -0.00048574 -0.00048574 -0.00013334 4.9036e+05 2024-05-08 15:12:24,793 INFO [main.py:798]
{rank 0/64} MD step = 281200 step time: 00:00:00.163662 Performance: 64.514 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 15:12:32,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281200 56240 60.013 -32381 6577.5 -38958 -38958 -4.7622e-05 -0.00032383 -0.00053336 4.9055e+05 2024-05-08 15:12:47,951 INFO [main.py:798]
{rank 0/64} MD step = 281300 step time: 00:00:00.159323 Performance: 64.517 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 15:12:57,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281300 56260 60.077 -32574 6584.5 -39159 -39159 -0.00036193 -0.00030478 -0.00048574 4.9067e+05 2024-05-08 15:13:16,443 INFO [main.py:798]
{rank 0/64} MD step = 281400 step time: 00:00:00.160628 Performance: 64.516 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 15:13:25,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281400 56280 60.153 -32505 6592.9 -39098 -39098 -0.00038097 -0.00055241 -0.00015239 4.9088e+05 2024-05-08 15:13:41,289 INFO [main.py:798]
{rank 0/64} MD step = 281500 step time: 00:00:00.168684 Performance: 64.517 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 15:13:47,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281500 56300 59.344 -32625 6504.2 -39129 -39129 -0.00033335 -0.00038097 -0.0003524 4.9106e+05 2024-05-08 15:14:03,200 INFO [main.py:798]
{rank 0/64} MD step = 281600 step time: 00:00:00.158190 Performance: 64.521 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 15:14:10,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281600 56320 60.25 -32544 6603.4 -39148 -39148 -0.00020477 -0.00065718 -0.00047622 4.9119e+05 2024-05-08 15:14:26,252 INFO [main.py:798]
{rank 0/64} MD step = 281700 step time: 00:00:00.171809 Performance: 64.525 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 15:14:32,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281700 56340 60.056 -32568 6582.2 -39150 -39150 -0.00030478 -0.00045717 -0.00060956 4.9141e+05 2024-05-08 15:14:48,203 INFO [main.py:798]
{rank 0/64} MD step = 281800 step time: 00:00:00.150112 Performance: 64.529 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 15:14:53,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281800 56360 60.296 -32414 6608.5 -39022 -39022 0.00011429 -0.00045717 -7.6195e-05 4.9161e+05 2024-05-08 15:15:10,317 INFO [main.py:798]
{rank 0/64} MD step = 281900 step time: 00:00:00.150370 Performance: 64.533 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 15:15:16,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281900 56380 60.635 -32512 6645.7 -39158 -39158 -0.00028573 6.667e-05 -0.00057146 4.9178e+05 2024-05-08 15:15:32,309 INFO [main.py:798]
{rank 0/64} MD step = 282000 step time: 00:00:00.172724 Performance: 64.537 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 15:15:38,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282000 56400 60.323 -32459 6611.5 -39070 -39070 -0.00030478 -0.00027621 -0.00058575 4.9197e+05 2024-05-08 15:15:53,689 INFO [main.py:798]
{rank 0/64} MD step = 282100 step time: 00:00:00.156732 Performance: 64.541 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 15:16:00,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282100 56420 59.637 -32551 6536.3 -39087 -39087 -0.00030478 9.5243e-05 -0.00049527 4.9213e+05 2024-05-08 15:16:16,309 INFO [main.py:798]
{rank 0/64} MD step = 282200 step time: 00:00:00.156268 Performance: 64.545 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 15:16:21,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282200 56440 58.83 -32644 6447.9 -39092 -39092 -0.00020954 -0.00054289 -0.00059051 4.9232e+05 2024-05-08 15:16:38,174 INFO [main.py:798]
{rank 0/64} MD step = 282300 step time: 00:00:00.147547 Performance: 64.549 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 15:16:46,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282300 56460 60.297 -32460 6608.7 -39068 -39068 -0.00020477 -0.00055241 -0.00015239 4.9251e+05 2024-05-08 15:17:03,375 INFO [main.py:798]
{rank 0/64} MD step = 282400 step time: 00:00:00.157414 Performance: 64.551 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 15:17:09,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282400 56480 60.045 -32574 6581 -39155 -39155 -0.00026668 -0.00051431 -0.00047622 4.9266e+05 2024-05-08 15:17:26,895 INFO [main.py:798]
{rank 0/64} MD step = 282500 step time: 00:00:00.166208 Performance: 64.553 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 15:17:32,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282500 56500 59.393 -32506 6509.5 -39015 -39015 -0.00057146 -0.00032383 -0.00072385 4.9285e+05 2024-05-08 15:17:48,157 INFO [main.py:798]
{rank 0/64} MD step = 282600 step time: 00:00:00.149917 Performance: 64.558 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 15:17:53,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282600 56520 59.592 -32569 6531.3 -39101 -39101 -0.00055241 -0.00045241 0 4.9304e+05 2024-05-08 15:18:09,991 INFO [main.py:798]
{rank 0/64} MD step = 282700 step time: 00:00:00.153617 Performance: 64.562 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 15:18:15,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282700 56540 59.656 -32454 6538.4 -38992 -38992 0.00029525 -0.00050479 0.00010001 4.9323e+05 2024-05-08 15:18:31,846 INFO [main.py:798]
{rank 0/64} MD step = 282800 step time: 00:00:00.164006 Performance: 64.566 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 15:18:39,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282800 56560 59.983 -32626 6574.3 -39200 -39200 -0.00034288 -0.00038097 -0.00057146 4.9337e+05 2024-05-08 15:18:56,281 INFO [main.py:798]
{rank 0/64} MD step = 282900 step time: 00:00:00.162710 Performance: 64.568 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 15:19:02,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282900 56580 61.377 -32476 6727 -39203 -39203 -9.5243e-05 -0.00037145 -0.00049527 4.9354e+05 2024-05-08 15:19:18,434 INFO [main.py:798]
{rank 0/64} MD step = 283000 step time: 00:00:00.151712 Performance: 64.572 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 15:19:24,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283000 56600 59.144 -32563 6482.3 -39045 -39045 7.6195e-05 -0.00041907 -0.00071433 4.9371e+05 2024-05-08 15:19:40,777 INFO [main.py:798]
{rank 0/64} MD step = 283100 step time: 00:00:00.147653 Performance: 64.576 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 15:19:46,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283100 56620 60.765 -32527 6659.9 -39187 -39187 -0.00034288 -0.00026668 -0.00034288 4.9385e+05 2024-05-08 15:20:02,689 INFO [main.py:798]
{rank 0/64} MD step = 283200 step time: 00:00:00.158138 Performance: 64.580 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 15:20:09,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283200 56640 60.476 -32414 6628.2 -39042 -39042 -0.00030478 -0.00028573 0.00013334 4.9403e+05 2024-05-08 15:20:25,671 INFO [main.py:798]
{rank 0/64} MD step = 283300 step time: 00:00:00.166208 Performance: 64.583 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 15:20:32,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283300 56660 60.409 -32560 6620.9 -39181 -39181 -0.00048574 -0.00016191 -3.8097e-05 4.9421e+05 2024-05-08 15:20:48,014 INFO [main.py:798]
{rank 0/64} MD step = 283400 step time: 00:00:00.159150 Performance: 64.587 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 15:20:58,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283400 56680 61.199 -32250 6707.4 -38957 -38957 -0.00047622 -0.00042383 -0.00011429 4.9443e+05 2024-05-08 15:21:14,089 INFO [main.py:798]
{rank 0/64} MD step = 283500 step time: 00:00:00.154765 Performance: 64.588 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 15:21:19,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283500 56700 60.964 -32321 6681.7 -39003 -39003 -7.6195e-05 -0.00021906 -0.00071433 4.9462e+05 2024-05-08 15:21:35,828 INFO [main.py:798]
{rank 0/64} MD step = 283600 step time: 00:00:00.155663 Performance: 64.592 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 15:21:41,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283600 56720 58.884 -32836 6453.8 -39290 -39290 -0.00019049 -0.00057146 -0.00034288 4.9476e+05 2024-05-08 15:21:57,841 INFO [main.py:798]
{rank 0/64} MD step = 283700 step time: 00:00:00.162006 Performance: 64.596 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 15:22:04,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283700 56740 60.315 -32534 6610.6 -39144 -39144 -0.00045717 -0.00041907 -0.00055241 4.9493e+05 2024-05-08 15:22:21,788 INFO [main.py:798]
{rank 0/64} MD step = 283800 step time: 00:00:00.159119 Performance: 64.598 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 15:22:27,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283800 56760 59.892 -32505 6564.3 -39070 -39070 -0.00032383 -0.00045717 -0.00053336 4.9511e+05 2024-05-08 15:22:44,863 INFO [main.py:798]
{rank 0/64} MD step = 283900 step time: 00:00:00.161623 Performance: 64.602 ns/day 0.372 hours/ns 3.739 steps/s 2024-05-08 15:22:52,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283900 56780 60.132 -32581 6590.5 -39172 -39172 -0.00011429 -0.00043812 -0.00043336 4.953e+05 2024-05-08 15:23:07,966 INFO [main.py:798]
{rank 0/64} MD step = 284000 step time: 00:00:00.156894 Performance: 64.605 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 15:23:13,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284000 56800 61.028 -32505 6688.7 -39193 -39193 -0.00022858 -0.00047622 -0.00065718 4.9546e+05 2024-05-08 15:23:29,601 INFO [main.py:798]
{rank 0/64} MD step = 284100 step time: 00:00:00.161477 Performance: 64.609 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 15:23:38,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284100 56820 60.722 -32432 6655.2 -39087 -39087 -9.5243e-05 -0.00041907 -0.00064766 4.9565e+05 2024-05-08 15:23:53,397 INFO [main.py:798]
{rank 0/64} MD step = 284200 step time: 00:00:00.159321 Performance: 64.612 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 15:23:58,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284200 56840 60.147 -32548 6592.2 -39140 -39140 -0.00022858 -0.00063813 -0.00049527 4.9582e+05 2024-05-08 15:24:14,817 INFO [main.py:798]
{rank 0/64} MD step = 284300 step time: 00:00:00.150353 Performance: 64.616 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 15:24:22,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284300 56860 60.457 -32541 6626.1 -39168 -39168 -0.00026668 -0.00059051 -0.00047622 4.9598e+05 2024-05-08 15:24:38,809 INFO [main.py:798]
{rank 0/64} MD step = 284400 step time: 00:00:00.152411 Performance: 64.618 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 15:24:46,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284400 56880 60.519 -32540 6633 -39173 -39173 -0.00022858 -0.00046669 -0.0004286 4.9615e+05 2024-05-08 15:25:02,431 INFO [main.py:798]
{rank 0/64} MD step = 284500 step time: 00:00:00.144407 Performance: 64.621 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 15:25:10,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284500 56900 58.635 -32822 6426.4 -39248 -39248 -0.00022858 -0.00047622 -0.0007429 4.963e+05 2024-05-08 15:25:26,710 INFO [main.py:798]
{rank 0/64} MD step = 284600 step time: 00:00:00.154159 Performance: 64.623 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 15:25:33,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284600 56920 60.116 -32568 6588.8 -39157 -39157 -3.8097e-05 -0.00052384 1.9049e-05 4.9649e+05 2024-05-08 15:25:49,812 INFO [main.py:798]
{rank 0/64} MD step = 284700 step time: 00:00:00.148447 Performance: 64.626 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 15:25:55,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284700 56940 59.262 -32630 6495.2 -39126 -39126 -0.00041907 -0.00041907 5.7146e-05 4.967e+05 2024-05-08 15:26:12,393 INFO [main.py:798]
{rank 0/64} MD step = 284800 step time: 00:00:00.151160 Performance: 64.630 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 15:26:18,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284800 56960 59.499 -32669 6521.2 -39190 -39190 -0.00036193 -0.00040002 -0.00053336 4.9685e+05 2024-05-08 15:26:35,002 INFO [main.py:798]
{rank 0/64} MD step = 284900 step time: 00:00:00.150649 Performance: 64.633 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 15:26:44,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284900 56980 60.491 -32522 6629.9 -39152 -39152 -0.00017144 -0.00037145 -0.00057146 4.9701e+05 2024-05-08 15:27:01,048 INFO [main.py:798]
{rank 0/64} MD step = 285000 step time: 00:00:00.159349 Performance: 64.634 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 15:27:05,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285000 57000 59.438 -32765 6514.5 -39279 -39279 -0.00018096 -0.00038097 -0.0007429 4.972e+05 2024-05-08 15:27:23,834 INFO [main.py:798]
{rank 0/64} MD step = 285100 step time: 00:00:00.163469 Performance: 64.637 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 15:27:33,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285100 57020 59.86 -32691 6560.8 -39252 -39252 -0.00038097 -0.00038097 -0.00032383 4.9739e+05 2024-05-08 15:27:49,328 INFO [main.py:798]
{rank 0/64} MD step = 285200 step time: 00:00:00.157712 Performance: 64.638 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 15:27:56,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285200 57040 59.899 -32601 6565 -39166 -39166 -0.00023811 -0.00060956 5.7146e-05 4.9758e+05 2024-05-08 15:28:11,859 INFO [main.py:798]
{rank 0/64} MD step = 285300 step time: 00:00:00.161060 Performance: 64.642 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 15:28:19,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285300 57060 59.701 -32577 6543.4 -39121 -39121 -0.00045717 -0.00034764 -0.00032383 4.9775e+05 2024-05-08 15:28:34,945 INFO [main.py:798]
{rank 0/64} MD step = 285400 step time: 00:00:00.160205 Performance: 64.645 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 15:28:43,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285400 57080 60.749 -32420 6658.2 -39078 -39078 -0.00023811 -0.00036193 -0.00019049 4.9795e+05 2024-05-08 15:28:59,301 INFO [main.py:798]
{rank 0/64} MD step = 285500 step time: 00:00:00.156022 Performance: 64.647 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 15:29:04,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285500 57100 60.065 -32554 6583.2 -39137 -39137 -0.00045717 -0.0003143 -0.00015239 4.9811e+05 2024-05-08 15:29:22,121 INFO [main.py:798]
{rank 0/64} MD step = 285600 step time: 00:00:00.157796 Performance: 64.650 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 15:29:29,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285600 57120 59.946 -32541 6570.1 -39111 -39111 -0.00031907 -0.0004286 -0.00032383 4.9832e+05 2024-05-08 15:29:45,295 INFO [main.py:798]
{rank 0/64} MD step = 285700 step time: 00:00:00.155961 Performance: 64.653 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:29:54,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285700 57140 59.347 -32590 6504.5 -39095 -39095 -0.00030002 -0.00051431 -3.8097e-05 4.9846e+05 2024-05-08 15:30:10,166 INFO [main.py:798]
{rank 0/64} MD step = 285800 step time: 00:00:00.151893 Performance: 64.655 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:30:21,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285800 57160 59.88 -32593 6562.9 -39156 -39156 0.00011429 -0.00058099 -0.00043812 4.9864e+05 2024-05-08 15:30:37,266 INFO [main.py:798]
{rank 0/64} MD step = 285900 step time: 00:00:00.147957 Performance: 64.655 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:30:47,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285900 57180 59.782 -32659 6552.2 -39212 -39212 -0.00034288 -0.00032859 -0.00049527 4.9879e+05 2024-05-08 15:31:03,662 INFO [main.py:798]
{rank 0/64} MD step = 286000 step time: 00:00:00.157728 Performance: 64.655 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:31:11,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286000 57200 59.635 -32649 6536 -39185 -39185 -0.00032859 -0.00030478 -0.00071909 4.9898e+05 2024-05-08 15:31:27,584 INFO [main.py:798]
{rank 0/64} MD step = 286100 step time: 00:00:00.161736 Performance: 64.657 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:31:35,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286100 57220 60.68 -32539 6650.6 -39189 -39189 -0.00015239 -0.00052384 -0.00071433 4.9917e+05 2024-05-08 15:31:50,760 INFO [main.py:798]
{rank 0/64} MD step = 286200 step time: 00:00:00.165310 Performance: 64.660 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:31:59,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286200 57240 59.077 -32745 6474.9 -39220 -39220 -0.00026668 -6.667e-05 -0.00064766 4.9935e+05 2024-05-08 15:32:16,150 INFO [main.py:798]
{rank 0/64} MD step = 286300 step time: 00:00:00.159045 Performance: 64.661 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:32:22,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286300 57260 60.417 -32624 6621.7 -39246 -39246 -0.00040955 -0.00044764 -9.5243e-05 4.9954e+05 2024-05-08 15:32:38,625 INFO [main.py:798]
{rank 0/64} MD step = 286400 step time: 00:00:00.162562 Performance: 64.665 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:32:44,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286400 57280 59.36 -32628 6505.9 -39134 -39134 -0.00045717 -0.000781 -0.00036193 4.9973e+05 2024-05-08 15:33:00,293 INFO [main.py:798]
{rank 0/64} MD step = 286500 step time: 00:00:00.156464 Performance: 64.669 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:33:10,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286500 57300 59.452 -32597 6516 -39113 -39113 -0.00051431 -0.00041907 -0.00072385 4.9989e+05 2024-05-08 15:33:26,768 INFO [main.py:798]
{rank 0/64} MD step = 286600 step time: 00:00:00.154991 Performance: 64.669 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 15:33:30,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286600 57320 59.834 -32499 6557.9 -39057 -39057 -0.00030478 -0.00053336 -0.00013334 5.0008e+05 2024-05-08 15:33:47,927 INFO [main.py:798]
{rank 0/64} MD step = 286700 step time: 00:00:00.159103 Performance: 64.674 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 15:33:53,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286700 57340 60.116 -32440 6588.8 -39028 -39028 -1.9049e-05 -0.00053336 -0.00044764 5.0028e+05 2024-05-08 15:34:09,467 INFO [main.py:798]
{rank 0/64} MD step = 286800 step time: 00:00:00.161422 Performance: 64.678 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 15:34:16,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286800 57360 60.412 -32592 6621.2 -39214 -39214 0.00022858 -0.0003143 -0.0003905 5.0044e+05 2024-05-08 15:34:33,109 INFO [main.py:798]
{rank 0/64} MD step = 286900 step time: 00:00:00.158172 Performance: 64.681 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 15:34:40,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286900 57380 59.51 -32554 6522.4 -39076 -39076 -0.00017144 -0.0003143 -0.00052384 5.0065e+05 2024-05-08 15:34:56,612 INFO [main.py:798]
{rank 0/64} MD step = 287000 step time: 00:00:00.154266 Performance: 64.684 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 15:35:04,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287000 57400 59.784 -32716 6552.4 -39268 -39268 -0.00053336 -0.00037145 -0.00030478 5.0076e+05 2024-05-08 15:35:22,004 INFO [main.py:798]
{rank 0/64} MD step = 287100 step time: 00:00:00.147461 Performance: 64.685 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 15:35:28,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287100 57420 59.971 -32516 6572.9 -39089 -39089 -0.00010477 -0.00049527 -0.00060956 5.0094e+05 2024-05-08 15:35:44,300 INFO [main.py:798]
{rank 0/64} MD step = 287200 step time: 00:00:00.149688 Performance: 64.689 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:35:50,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287200 57440 60.374 -32518 6617.1 -39135 -39135 8.5719e-05 -0.00041907 -0.0006667 5.0113e+05 2024-05-08 15:36:06,555 INFO [main.py:798]
{rank 0/64} MD step = 287300 step time: 00:00:00.151653 Performance: 64.692 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:36:12,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287300 57460 59.973 -32659 6573.1 -39233 -39233 -0.00038097 -0.00046669 7.6195e-05 5.0125e+05 2024-05-08 15:36:28,429 INFO [main.py:798]
{rank 0/64} MD step = 287400 step time: 00:00:00.146214 Performance: 64.696 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:36:39,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287400 57480 59.635 -32616 6536.1 -39152 -39152 -0.00043812 -0.00068575 -0.00030478 5.0147e+05 2024-05-08 15:36:55,304 INFO [main.py:798]
{rank 0/64} MD step = 287500 step time: 00:00:00.151447 Performance: 64.696 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:37:04,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287500 57500 60.187 -32494 6596.5 -39091 -39091 -0.00028573 -0.0004286 -0.0007429 5.0163e+05 2024-05-08 15:37:20,366 INFO [main.py:798]
{rank 0/64} MD step = 287600 step time: 00:00:00.150100 Performance: 64.698 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:37:27,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287600 57520 60.447 -32413 6625.1 -39038 -39038 -0.0003524 -0.00068575 -0.00059051 5.0185e+05 2024-05-08 15:37:43,863 INFO [main.py:798]
{rank 0/64} MD step = 287700 step time: 00:00:00.154584 Performance: 64.700 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:37:55,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287700 57540 60.917 -32603 6676.6 -39280 -39280 -0.00032383 -0.00053336 -0.00049527 5.0199e+05 2024-05-08 15:38:12,960 INFO [main.py:798]
{rank 0/64} MD step = 287800 step time: 00:00:00.152135 Performance: 64.698 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:38:19,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287800 57560 59.933 -32449 6568.8 -39018 -39018 -0.00048574 -0.00036193 -0.00027621 5.022e+05 2024-05-08 15:38:35,517 INFO [main.py:798]
{rank 0/64} MD step = 287900 step time: 00:00:00.173086 Performance: 64.702 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:38:43,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287900 57580 59.791 -32655 6553.2 -39209 -39209 -0.0004286 -0.0002143 -0.00056194 5.0239e+05 2024-05-08 15:38:59,933 INFO [main.py:798]
{rank 0/64} MD step = 288000 step time: 00:00:00.151386 Performance: 64.704 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 15:39:06,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288000 57600 59.625 -32562 6535 -39097 -39097 -0.00040002 -0.00054289 -0.00062861 5.0258e+05 2024-05-08 15:39:22,988 INFO [main.py:798]
{rank 0/64} MD step = 288100 step time: 00:00:00.157693 Performance: 64.707 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 15:39:28,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288100 57620 59.503 -32661 6521.6 -39182 -39182 -0.00024763 -0.00028573 -3.8097e-05 5.0271e+05 2024-05-08 15:39:44,973 INFO [main.py:798]
{rank 0/64} MD step = 288200 step time: 00:00:00.153646 Performance: 64.711 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 15:39:52,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288200 57640 59.925 -32601 6567.9 -39169 -39169 -0.00021906 -0.00040955 -0.00048098 5.029e+05 2024-05-08 15:40:08,666 INFO [main.py:798]
{rank 0/64} MD step = 288300 step time: 00:00:00.148283 Performance: 64.713 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 15:40:14,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288300 57660 60.22 -32531 6600.2 -39131 -39131 -0.00048574 -0.00072385 -5.7146e-05 5.0307e+05 2024-05-08 15:40:30,544 INFO [main.py:798]
{rank 0/64} MD step = 288400 step time: 00:00:00.151407 Performance: 64.717 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 15:40:38,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288400 57680 59.662 -32691 6539 -39230 -39230 -1.9049e-05 -0.00045717 -0.00023335 5.0321e+05 2024-05-08 15:40:54,948 INFO [main.py:798]
{rank 0/64} MD step = 288500 step time: 00:00:00.154107 Performance: 64.719 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 15:41:02,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288500 57700 59.849 -32588 6559.6 -39147 -39147 -0.00030478 -0.00043812 -0.00032383 5.0341e+05 2024-05-08 15:41:18,341 INFO [main.py:798]
{rank 0/64} MD step = 288600 step time: 00:00:00.141204 Performance: 64.722 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 15:41:28,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288600 57720 59.857 -32661 6560.4 -39221 -39221 -2.8573e-05 -0.00045717 -0.00025716 5.0357e+05 2024-05-08 15:41:44,826 INFO [main.py:798]
{rank 0/64} MD step = 288700 step time: 00:00:00.141089 Performance: 64.722 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 15:41:51,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288700 57740 58.836 -32804 6448.5 -39252 -39252 -0.00022858 -0.00045717 -0.00022858 5.0374e+05 2024-05-08 15:42:07,112 INFO [main.py:798]
{rank 0/64} MD step = 288800 step time: 00:00:00.137711 Performance: 64.726 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 15:42:13,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288800 57760 59.591 -32675 6531.2 -39207 -39207 -0.00040955 -0.0003905 9.5243e-05 5.0393e+05 2024-05-08 15:42:29,923 INFO [main.py:798]
{rank 0/64} MD step = 288900 step time: 00:00:00.140035 Performance: 64.729 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 15:42:38,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288900 57780 60.421 -32632 6622.2 -39254 -39254 -0.00043812 -0.00068575 -0.00045717 5.041e+05 2024-05-08 15:42:54,412 INFO [main.py:798]
{rank 0/64} MD step = 289000 step time: 00:00:00.157745 Performance: 64.731 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 15:43:03,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289000 57800 59.991 -32619 6575.1 -39194 -39194 -0.00053336 -0.00046669 -4.7622e-05 5.0429e+05 2024-05-08 15:43:19,423 INFO [main.py:798]
{rank 0/64} MD step = 289100 step time: 00:00:00.153685 Performance: 64.733 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 15:43:27,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289100 57820 60.537 -32483 6634.9 -39117 -39117 -0.00017144 -0.00050479 -0.00049527 5.0449e+05 2024-05-08 15:43:43,135 INFO [main.py:798]
{rank 0/64} MD step = 289200 step time: 00:00:00.156611 Performance: 64.735 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 15:43:50,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289200 57840 60.034 -32475 6579.8 -39055 -39055 0.00020954 -0.00040002 -0.00047622 5.0464e+05 2024-05-08 15:44:06,073 INFO [main.py:798]
{rank 0/64} MD step = 289300 step time: 00:00:00.157545 Performance: 64.738 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 15:44:11,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289300 57860 60.001 -32580 6576.2 -39156 -39156 -0.00026668 7.6195e-05 -0.0007429 5.0481e+05 2024-05-08 15:44:27,588 INFO [main.py:798]
{rank 0/64} MD step = 289400 step time: 00:00:00.159330 Performance: 64.742 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 15:44:34,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289400 57880 60.173 -32614 6595.1 -39209 -39209 -0.00044764 -0.00013334 -0.00063813 5.0501e+05 2024-05-08 15:44:50,963 INFO [main.py:798]
{rank 0/64} MD step = 289500 step time: 00:00:00.167422 Performance: 64.745 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 15:44:58,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289500 57900 59.725 -32530 6545.9 -39076 -39076 -0.00049527 -0.00024763 -0.00043812 5.052e+05 2024-05-08 15:45:13,939 INFO [main.py:798]
{rank 0/64} MD step = 289600 step time: 00:00:00.168773 Performance: 64.748 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 15:45:19,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289600 57920 59.44 -32507 6514.7 -39022 -39022 -0.00038097 -0.00043812 -0.00032859 5.0539e+05 2024-05-08 15:45:35,900 INFO [main.py:798]
{rank 0/64} MD step = 289700 step time: 00:00:00.173191 Performance: 64.752 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 15:45:42,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289700 57940 59.795 -32683 6553.6 -39236 -39236 -0.00046669 -0.00060956 -0.00059051 5.0553e+05 2024-05-08 15:45:58,015 INFO [main.py:798]
{rank 0/64} MD step = 289800 step time: 00:00:00.163647 Performance: 64.756 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 15:46:04,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289800 57960 59.429 -32711 6513.5 -39225 -39225 -0.00043812 -0.00053336 -0.00075242 5.0572e+05 2024-05-08 15:46:21,098 INFO [main.py:798]
{rank 0/64} MD step = 289900 step time: 00:00:00.156403 Performance: 64.759 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 15:46:26,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289900 57980 60.144 -32501 6591.9 -39093 -39093 -0.00043812 -0.00026668 -0.00061908 5.0593e+05 2024-05-08 15:46:41,754 INFO [main.py:798]
{rank 0/64} MD step = 290000 step time: 00:00:00.154041 Performance: 64.764 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 15:46:47,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290000 58000 59.709 -32598 6544.2 -39143 -39143 -0.00038097 -0.00047622 -0.00064289 5.061e+05 2024-05-08 15:47:03,484 INFO [main.py:798]
{rank 0/64} MD step = 290100 step time: 00:00:00.151903 Performance: 64.768 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 15:47:08,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290100 58020 59.667 -32686 6539.6 -39225 -39225 -0.00019049 -0.00038097 3.8097e-05 5.0627e+05 2024-05-08 15:47:24,741 INFO [main.py:798]
{rank 0/64} MD step = 290200 step time: 00:00:00.147590 Performance: 64.773 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 15:47:29,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290200 58040 61.286 -32527 6717 -39244 -39244 -0.00041907 -0.00051908 -0.00072385 5.0643e+05 2024-05-08 15:47:47,518 INFO [main.py:798]
{rank 0/64} MD step = 290300 step time: 00:00:00.150120 Performance: 64.776 ns/day 0.371 hours/ns 3.749 steps/s 2024-05-08 15:47:53,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290300 58060 60.672 -32509 6649.7 -39159 -39159 -0.00029525 2.8573e-05 -4.7622e-05 5.0666e+05 2024-05-08 15:48:09,233 INFO [main.py:798]
{rank 0/64} MD step = 290400 step time: 00:00:00.141000 Performance: 64.780 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 15:48:14,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290400 58080 60.96 -32650 6681.3 -39332 -39332 -0.00046669 -0.00057146 -0.00026668 5.0679e+05 2024-05-08 15:48:30,916 INFO [main.py:798]
{rank 0/64} MD step = 290500 step time: 00:00:00.148393 Performance: 64.784 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 15:48:37,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290500 58100 59.446 -32871 6515.4 -39387 -39387 -0.00020954 -0.00034288 -0.00061908 5.0695e+05 2024-05-08 15:48:53,668 INFO [main.py:798]
{rank 0/64} MD step = 290600 step time: 00:00:00.166947 Performance: 64.788 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 15:48:59,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290600 58120 59.88 -32539 6562.9 -39102 -39102 -0.00025716 -0.00029525 -0.00033335 5.0716e+05 2024-05-08 15:49:15,607 INFO [main.py:798]
{rank 0/64} MD step = 290700 step time: 00:00:00.186888 Performance: 64.792 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 15:49:23,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290700 58140 59.701 -32592 6543.3 -39136 -39136 -0.00023811 -0.00019049 -0.00057146 5.0733e+05 2024-05-08 15:49:40,084 INFO [main.py:798]
{rank 0/64} MD step = 290800 step time: 00:00:00.150299 Performance: 64.794 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 15:49:57,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290800 58160 59.059 -32796 6473 -39269 -39269 -0.00053336 -0.00029525 -0.00024287 5.0751e+05 2024-05-08 15:50:13,074 INFO [main.py:798]
{rank 0/64} MD step = 290900 step time: 00:00:00.149630 Performance: 64.788 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 15:50:19,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290900 58180 60.149 -32394 6592.4 -38987 -38987 -0.0003524 -0.00042383 3.8097e-05 5.0774e+05 2024-05-08 15:50:35,377 INFO [main.py:798]
{rank 0/64} MD step = 291000 step time: 00:00:00.155584 Performance: 64.792 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 15:50:41,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291000 58200 60.491 -32473 6629.9 -39103 -39103 -0.00055241 -0.00036193 -0.00061908 5.0789e+05 2024-05-08 15:50:57,367 INFO [main.py:798]
{rank 0/64} MD step = 291100 step time: 00:00:00.148868 Performance: 64.796 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 15:51:03,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291100 58220 60.862 -32504 6670.5 -39174 -39174 -0.00017144 -0.00053336 -0.00053336 5.0807e+05 2024-05-08 15:51:20,181 INFO [main.py:798]
{rank 0/64} MD step = 291200 step time: 00:00:00.149568 Performance: 64.799 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 15:51:26,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291200 58240 59.543 -32525 6526 -39051 -39051 -0.00035716 -0.00068575 -0.00028573 5.0824e+05 2024-05-08 15:51:43,279 INFO [main.py:798]
{rank 0/64} MD step = 291300 step time: 00:00:00.164649 Performance: 64.802 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 15:51:50,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291300 58260 60.448 -32510 6625.2 -39135 -39135 -0.0007429 -0.00043812 -0.00045717 5.0841e+05 2024-05-08 15:52:06,683 INFO [main.py:798]
{rank 0/64} MD step = 291400 step time: 00:00:00.158435 Performance: 64.805 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 15:52:11,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291400 58280 59.905 -32587 6565.7 -39153 -39153 -0.00029525 -8.5719e-05 -0.00049527 5.0859e+05 2024-05-08 15:52:28,045 INFO [main.py:798]
{rank 0/64} MD step = 291500 step time: 00:00:00.160983 Performance: 64.809 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 15:52:33,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291500 58300 59.764 -32478 6550.2 -39028 -39028 -0.00028573 -0.00040002 -0.00049527 5.0876e+05 2024-05-08 15:52:48,522 INFO [main.py:798]
{rank 0/64} MD step = 291600 step time: 00:00:00.158056 Performance: 64.814 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 15:52:53,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291600 58320 59.611 -32549 6533.4 -39083 -39083 -0.00017144 -0.00040955 -0.00058099 5.089e+05 2024-05-08 15:53:09,830 INFO [main.py:798]
{rank 0/64} MD step = 291700 step time: 00:00:00.156837 Performance: 64.819 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 15:53:16,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291700 58340 59.761 -32586 6549.9 -39135 -39135 -0.00040955 0.00012382 -0.0004286 5.0907e+05 2024-05-08 15:53:32,321 INFO [main.py:798]
{rank 0/64} MD step = 291800 step time: 00:00:00.175383 Performance: 64.822 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 15:53:38,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291800 58360 59.716 -32564 6544.9 -39109 -39109 -0.00040002 -0.00065718 -0.00030478 5.0927e+05 2024-05-08 15:53:54,607 INFO [main.py:798]
{rank 0/64} MD step = 291900 step time: 00:00:00.155253 Performance: 64.826 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 15:53:59,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291900 58380 60.566 -32388 6638.1 -39026 -39026 -0.00028573 -0.00045717 -0.00061908 5.0941e+05 2024-05-08 15:54:15,609 INFO [main.py:798]
{rank 0/64} MD step = 292000 step time: 00:00:00.185652 Performance: 64.831 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 15:54:19,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292000 58400 60.823 -32526 6666.2 -39192 -39192 -0.00030002 -0.00083814 -0.00038097 5.0958e+05 2024-05-08 15:54:37,776 INFO [main.py:798]
{rank 0/64} MD step = 292100 step time: 00:00:00.167203 Performance: 64.834 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 15:54:45,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292100 58420 60.28 -32563 6606.8 -39170 -39170 -0.00032383 -0.00038097 -0.00056194 5.0975e+05 2024-05-08 15:55:01,878 INFO [main.py:798]
{rank 0/64} MD step = 292200 step time: 00:00:00.169563 Performance: 64.836 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 15:55:07,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292200 58440 59.709 -32668 6544.2 -39213 -39213 -0.00011429 -0.00067623 -3.8097e-05 5.0992e+05 2024-05-08 15:55:23,671 INFO [main.py:798]
{rank 0/64} MD step = 292300 step time: 00:00:00.160607 Performance: 64.841 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 15:55:29,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292300 58460 59.102 -32494 6477.6 -38972 -38972 -0.00030478 -0.00057146 -0.00055241 5.1012e+05 2024-05-08 15:55:46,640 INFO [main.py:798]
{rank 0/64} MD step = 292400 step time: 00:00:00.153786 Performance: 64.844 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:55:52,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292400 58480 60.459 -32406 6626.4 -39032 -39032 -7.6195e-05 -0.00076195 -0.00030478 5.1027e+05 2024-05-08 15:56:08,635 INFO [main.py:798]
{rank 0/64} MD step = 292500 step time: 00:00:00.159171 Performance: 64.847 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:56:23,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292500 58500 60.009 -32534 6577 -39111 -39111 -0.00045717 -0.00041907 -0.0003524 5.1043e+05 2024-05-08 15:56:39,235 INFO [main.py:798]
{rank 0/64} MD step = 292600 step time: 00:00:00.154487 Performance: 64.844 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:56:45,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292600 58520 60.272 -32457 6605.8 -39062 -39062 -0.0004286 -0.00057146 -0.00022858 5.1061e+05 2024-05-08 15:57:01,310 INFO [main.py:798]
{rank 0/64} MD step = 292700 step time: 00:00:00.156882 Performance: 64.848 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:57:09,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292700 58540 60.952 -32462 6680.4 -39143 -39143 -0.00034288 -0.00058099 -0.00055241 5.1077e+05 2024-05-08 15:57:26,182 INFO [main.py:798]
{rank 0/64} MD step = 292800 step time: 00:00:00.163666 Performance: 64.849 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:57:35,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292800 58560 59.673 -32728 6540.2 -39268 -39268 -0.00028573 -0.00027621 -0.00040002 5.1091e+05 2024-05-08 15:57:51,989 INFO [main.py:798]
{rank 0/64} MD step = 292900 step time: 00:00:00.167376 Performance: 64.850 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:57:58,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292900 58580 59.609 -32578 6533.2 -39111 -39111 -0.00056194 -0.00025716 -0.00051431 5.111e+05 2024-05-08 15:58:16,461 INFO [main.py:798]
{rank 0/64} MD step = 293000 step time: 00:00:00.155585 Performance: 64.852 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:58:29,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293000 58600 59.877 -32520 6562.5 -39083 -39083 -0.0002143 -0.00048574 -0.00041907 5.1129e+05 2024-05-08 15:58:44,452 INFO [main.py:798]
{rank 0/64} MD step = 293100 step time: 00:00:00.153454 Performance: 64.851 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:58:52,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293100 58620 60.229 -32546 6601.1 -39147 -39147 -0.00030478 -0.00043812 7.6195e-05 5.1147e+05 2024-05-08 15:59:08,903 INFO [main.py:798]
{rank 0/64} MD step = 293200 step time: 00:00:00.155050 Performance: 64.853 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:59:14,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293200 58640 59.812 -32663 6555.5 -39218 -39218 -0.00020001 -0.00040002 -0.00076195 5.1161e+05 2024-05-08 15:59:30,081 INFO [main.py:798]
{rank 0/64} MD step = 293300 step time: 00:00:00.165025 Performance: 64.857 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 15:59:35,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293300 58660 59.632 -32638 6535.7 -39173 -39173 -0.00030478 -0.00040002 -5.7146e-05 5.1179e+05 2024-05-08 15:59:51,944 INFO [main.py:798]
{rank 0/64} MD step = 293400 step time: 00:00:00.163109 Performance: 64.861 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 15:59:55,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293400 58680 60.523 -32568 6633.3 -39202 -39202 -0.00041907 -0.0003905 -0.00055241 5.1196e+05 2024-05-08 16:00:13,431 INFO [main.py:798]
{rank 0/64} MD step = 293500 step time: 00:00:00.163253 Performance: 64.865 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 16:00:21,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293500 58700 60.202 -32500 6598.3 -39099 -39099 -0.00019049 -0.00071909 -0.00053336 5.1214e+05 2024-05-08 16:00:36,349 INFO [main.py:798]
{rank 0/64} MD step = 293600 step time: 00:00:00.156842 Performance: 64.869 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 16:00:40,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293600 58720 59.463 -32567 6517.3 -39085 -39085 -0.00041907 -0.00041907 -0.00041907 5.1233e+05 2024-05-08 16:00:57,815 INFO [main.py:798]
{rank 0/64} MD step = 293700 step time: 00:00:00.148890 Performance: 64.873 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 16:01:03,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293700 58740 58.941 -32750 6460 -39210 -39210 -0.00040955 -0.00059051 -9.5243e-05 5.1249e+05 2024-05-08 16:01:19,474 INFO [main.py:798]
{rank 0/64} MD step = 293800 step time: 00:00:00.152597 Performance: 64.877 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 16:01:27,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293800 58760 59.943 -32677 6569.8 -39247 -39247 0.00028573 -0.00053336 -0.00015715 5.1267e+05 2024-05-08 16:01:43,304 INFO [main.py:798]
{rank 0/64} MD step = 293900 step time: 00:00:00.163346 Performance: 64.879 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 16:01:49,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293900 58780 60.888 -32548 6673.4 -39222 -39222 -0.00047622 -0.0003905 -0.00051431 5.1289e+05 2024-05-08 16:02:04,504 INFO [main.py:798]
{rank 0/64} MD step = 294000 step time: 00:00:00.153354 Performance: 64.884 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 16:02:10,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294000 58800 60.342 -32633 6613.6 -39246 -39246 -0.0003524 -0.00036193 -0.00043812 5.1303e+05 2024-05-08 16:02:27,481 INFO [main.py:798]
{rank 0/64} MD step = 294100 step time: 00:00:00.155615 Performance: 64.887 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 16:02:33,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294100 58820 60.31 -32484 6610 -39094 -39094 -0.00057146 -0.00053336 -0.00064766 5.1322e+05 2024-05-08 16:02:48,764 INFO [main.py:798]
{rank 0/64} MD step = 294200 step time: 00:00:00.165344 Performance: 64.891 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 16:02:54,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294200 58840 59.879 -32620 6562.8 -39183 -39183 -0.00030478 -0.00049527 4.7622e-05 5.1338e+05 2024-05-08 16:03:10,329 INFO [main.py:798]
{rank 0/64} MD step = 294300 step time: 00:00:00.156499 Performance: 64.895 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 16:03:16,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294300 58860 60.314 -32566 6610.5 -39177 -39177 0.00030478 -0.00028573 -0.00038097 5.1356e+05 2024-05-08 16:03:32,358 INFO [main.py:798]
{rank 0/64} MD step = 294400 step time: 00:00:00.162412 Performance: 64.899 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 16:03:44,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294400 58880 60.465 -32503 6627 -39130 -39130 -0.00030478 -0.00053336 -0.00040478 5.1374e+05 2024-05-08 16:04:01,841 INFO [main.py:798]
{rank 0/64} MD step = 294500 step time: 00:00:00.164547 Performance: 64.897 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 16:04:08,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294500 58900 59.706 -32648 6543.8 -39191 -39191 -0.00026668 -0.00038097 -0.00040002 5.1389e+05 2024-05-08 16:04:24,714 INFO [main.py:798]
{rank 0/64} MD step = 294600 step time: 00:00:00.158572 Performance: 64.900 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 16:04:31,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294600 58920 59.961 -32659 6571.8 -39231 -39231 -0.00026668 -0.00030478 -7.6195e-05 5.1406e+05 2024-05-08 16:04:47,632 INFO [main.py:798]
{rank 0/64} MD step = 294700 step time: 00:00:00.157279 Performance: 64.903 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 16:04:55,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294700 58940 59.962 -32479 6571.9 -39051 -39051 0.00040955 -0.00047622 -0.00059051 5.1422e+05 2024-05-08 16:05:11,042 INFO [main.py:798]
{rank 0/64} MD step = 294800 step time: 00:00:00.160750 Performance: 64.906 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 16:05:17,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294800 58960 59.447 -32771 6515.5 -39286 -39286 -0.00053336 -0.00029525 -0.00014287 5.1438e+05 2024-05-08 16:05:33,776 INFO [main.py:798]
{rank 0/64} MD step = 294900 step time: 00:00:00.161920 Performance: 64.909 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 16:05:40,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294900 58980 60.262 -32697 6604.7 -39302 -39302 -0.00038097 -0.00054289 -0.00028573 5.1454e+05 2024-05-08 16:05:55,945 INFO [main.py:798]
{rank 0/64} MD step = 295000 step time: 00:00:00.165409 Performance: 64.913 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 16:05:59,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295000 59000 60.926 -32522 6677.6 -39199 -39199 -0.00014287 -0.00057146 -0.00055241 5.1472e+05 2024-05-08 16:06:16,703 INFO [main.py:798]
{rank 0/64} MD step = 295100 step time: 00:00:00.158421 Performance: 64.917 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 16:06:23,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295100 59020 59.815 -32726 6555.8 -39282 -39282 -0.00024763 -0.00028573 -0.00043812 5.1488e+05 2024-05-08 16:06:38,808 INFO [main.py:798]
{rank 0/64} MD step = 295200 step time: 00:00:00.162064 Performance: 64.921 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 16:06:44,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295200 59040 60.293 -32515 6608.2 -39123 -39123 -0.0003143 -0.00060956 -0.00049527 5.1509e+05 2024-05-08 16:07:00,096 INFO [main.py:798]
{rank 0/64} MD step = 295300 step time: 00:00:00.164159 Performance: 64.926 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 16:07:08,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295300 59060 60.873 -32512 6671.8 -39184 -39184 -0.0004286 -0.00063813 -0.00059051 5.1523e+05 2024-05-08 16:07:23,444 INFO [main.py:798]
{rank 0/64} MD step = 295400 step time: 00:00:00.153715 Performance: 64.928 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 16:07:29,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295400 59080 61.211 -32493 6708.8 -39201 -39201 -0.00026668 -0.00037145 -0.00064766 5.1542e+05 2024-05-08 16:07:46,352 INFO [main.py:798]
{rank 0/64} MD step = 295500 step time: 00:00:00.157064 Performance: 64.931 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 16:07:53,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295500 59100 60.078 -32491 6584.7 -39076 -39076 -0.00030478 -0.00045717 -0.00041907 5.1563e+05 2024-05-08 16:08:08,146 INFO [main.py:798]
{rank 0/64} MD step = 295600 step time: 00:00:00.153958 Performance: 64.935 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 16:08:15,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295600 59120 59.944 -32451 6570 -39021 -39021 -0.00013334 -0.00028335 -9.5243e-05 5.1581e+05 2024-05-08 16:08:31,612 INFO [main.py:798]
{rank 0/64} MD step = 295700 step time: 00:00:00.164494 Performance: 64.938 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 16:08:38,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295700 59140 60.921 -32484 6677 -39161 -39161 -0.00034288 -0.00082862 -0.00075242 5.1596e+05 2024-05-08 16:08:53,598 INFO [main.py:798]
{rank 0/64} MD step = 295800 step time: 00:00:00.156514 Performance: 64.942 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 16:09:02,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295800 59160 60.589 -32509 6640.6 -39150 -39150 -0.00048574 -0.00048574 -0.00064766 5.1616e+05 2024-05-08 16:09:17,819 INFO [main.py:798]
{rank 0/64} MD step = 295900 step time: 00:00:00.163066 Performance: 64.944 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 16:09:23,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295900 59180 59.928 -32567 6568.2 -39135 -39135 -0.00040002 -0.0004286 -0.00059051 5.1632e+05 2024-05-08 16:09:39,137 INFO [main.py:798]
{rank 0/64} MD step = 296000 step time: 00:00:00.150102 Performance: 64.948 ns/day 0.370 hours/ns 3.759 steps/s 2024-05-08 16:09:49,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296000 59200 60.609 -32569 6642.8 -39212 -39212 -0.0003524 -0.00038097 -0.00036193 5.1648e+05 2024-05-08 16:10:04,540 INFO [main.py:798]
{rank 0/64} MD step = 296100 step time: 00:00:00.150883 Performance: 64.949 ns/day 0.370 hours/ns 3.759 steps/s 2024-05-08 16:10:10,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296100 59220 60.173 -32496 6595.1 -39091 -39091 -0.00030478 -0.00052384 0 5.1667e+05 2024-05-08 16:10:25,646 INFO [main.py:798]
{rank 0/64} MD step = 296200 step time: 00:00:00.171421 Performance: 64.954 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 16:10:31,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296200 59240 60.024 -32629 6578.7 -39207 -39207 -0.00056194 -0.0003905 -0.00033811 5.1683e+05 2024-05-08 16:10:47,038 INFO [main.py:798]
{rank 0/64} MD step = 296300 step time: 00:00:00.163247 Performance: 64.958 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 16:10:52,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296300 59260 58.955 -32793 6461.5 -39255 -39255 -0.00038097 -0.0004286 -0.0003524 5.1701e+05 2024-05-08 16:11:08,540 INFO [main.py:798]
{rank 0/64} MD step = 296400 step time: 00:00:00.155771 Performance: 64.962 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 16:11:15,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296400 59280 60.242 -32533 6602.5 -39135 -39135 -0.00025716 -0.00034288 -0.00038097 5.1717e+05 2024-05-08 16:11:31,741 INFO [main.py:798]
{rank 0/64} MD step = 296500 step time: 00:00:00.159901 Performance: 64.965 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:11:41,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296500 59300 59.129 -32675 6480.6 -39155 -39155 -0.00030478 7.6195e-05 -0.00041907 5.1732e+05 2024-05-08 16:11:57,555 INFO [main.py:798]
{rank 0/64} MD step = 296600 step time: 00:00:00.159635 Performance: 64.965 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:12:03,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296600 59320 60.253 -32579 6603.8 -39183 -39183 -0.00030478 -0.00060956 -0.00053336 5.1749e+05 2024-05-08 16:12:19,827 INFO [main.py:798]
{rank 0/64} MD step = 296700 step time: 00:00:00.160242 Performance: 64.969 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:12:26,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296700 59340 60.495 -32464 6630.3 -39095 -39095 -0.00034288 -0.00064766 -0.00030478 5.1768e+05 2024-05-08 16:12:42,869 INFO [main.py:798]
{rank 0/64} MD step = 296800 step time: 00:00:00.166167 Performance: 64.972 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:12:51,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296800 59360 59.975 -32637 6573.4 -39211 -39211 -0.00028573 -0.00045717 -0.00047384 5.1786e+05 2024-05-08 16:13:07,549 INFO [main.py:798]
{rank 0/64} MD step = 296900 step time: 00:00:00.156907 Performance: 64.974 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:13:15,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296900 59380 59.241 -32555 6492.9 -39048 -39048 -0.00044764 -0.00064766 -0.00041907 5.1806e+05 2024-05-08 16:13:31,450 INFO [main.py:798]
{rank 0/64} MD step = 297000 step time: 00:00:00.163288 Performance: 64.976 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:13:38,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297000 59400 60.536 -32512 6634.8 -39146 -39146 -0.00050955 -0.00040002 -0.00013334 5.1822e+05 2024-05-08 16:13:54,942 INFO [main.py:798]
{rank 0/64} MD step = 297100 step time: 00:00:00.158656 Performance: 64.978 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:14:01,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297100 59420 60.859 -32500 6670.2 -39170 -39170 3.8097e-05 -5.2384e-05 -0.00059051 5.184e+05 2024-05-08 16:14:17,671 INFO [main.py:798]
{rank 0/64} MD step = 297200 step time: 00:00:00.155554 Performance: 64.982 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:14:23,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297200 59440 59.837 -32594 6558.2 -39153 -39153 -0.0003143 -0.00047622 -9.5243e-05 5.1858e+05 2024-05-08 16:14:39,398 INFO [main.py:798]
{rank 0/64} MD step = 297300 step time: 00:00:00.165224 Performance: 64.985 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:14:46,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297300 59460 58.915 -32581 6457.1 -39038 -39038 -0.00041907 -0.00041907 -0.00068575 5.1876e+05 2024-05-08 16:15:02,661 INFO [main.py:798]
{rank 0/64} MD step = 297400 step time: 00:00:00.166642 Performance: 64.988 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:15:09,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297400 59480 60.048 -32489 6581.3 -39071 -39071 -0.0003524 -0.00045717 -0.00072385 5.1893e+05 2024-05-08 16:15:24,821 INFO [main.py:798]
{rank 0/64} MD step = 297500 step time: 00:00:00.166677 Performance: 64.992 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:15:31,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297500 59500 59.963 -32434 6572 -39006 -39006 0.00013334 -0.00041907 -0.00049527 5.191e+05 2024-05-08 16:15:47,912 INFO [main.py:798]
{rank 0/64} MD step = 297600 step time: 00:00:00.161491 Performance: 64.995 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:15:53,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297600 59520 59.817 -32621 6556 -39177 -39177 -0.0003143 -0.00049527 -3.8097e-05 5.1927e+05 2024-05-08 16:16:09,708 INFO [main.py:798]
{rank 0/64} MD step = 297700 step time: 00:00:00.163844 Performance: 64.999 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:16:18,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297700 59540 60.229 -32706 6601.1 -39307 -39307 -0.00046669 -0.00045717 -0.00067623 5.1944e+05 2024-05-08 16:16:32,306 INFO [main.py:798]
{rank 0/64} MD step = 297800 step time: 00:00:00.134389 Performance: 65.002 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 16:17:27,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297800 59560 60.402 -32536 6620.1 -39156 -39156 -0.00024763 -0.00061908 3.8097e-05 5.1963e+05 2024-05-08 16:17:44,432 INFO [main.py:798]
{rank 0/64} MD step = 297900 step time: 00:00:00.175921 Performance: 64.965 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:17:53,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297900 59580 60.288 -32604 6607.7 -39211 -39211 2.8573e-05 -0.00034288 -0.00080005 5.198e+05 2024-05-08 16:18:09,139 INFO [main.py:798]
{rank 0/64} MD step = 298000 step time: 00:00:00.153845 Performance: 64.966 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:18:17,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298000 59600 60.89 -32335 6673.7 -39009 -39009 -0.00025716 -0.00043812 -0.00045717 5.1998e+05 2024-05-08 16:18:44,303 INFO [main.py:798]
{rank 0/64} MD step = 298100 step time: 00:00:00.167152 Performance: 64.959 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 16:18:49,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298100 59620 59.773 -32573 6551.2 -39124 -39124 -0.0004286 -0.00040002 -0.00026668 5.2011e+05 2024-05-08 16:19:04,630 INFO [main.py:798]
{rank 0/64} MD step = 298200 step time: 00:00:00.143439 Performance: 64.964 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:19:13,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298200 59640 59.242 -32722 6493 -39215 -39215 -0.00021906 -0.00044764 -0.0003524 5.203e+05 2024-05-08 16:19:28,686 INFO [main.py:798]
{rank 0/64} MD step = 298300 step time: 00:00:00.146462 Performance: 64.966 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:19:33,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298300 59660 60.641 -32552 6646.3 -39199 -39199 7.6195e-05 -0.00058099 -3.8097e-05 5.2051e+05 2024-05-08 16:19:51,687 INFO [main.py:798]
{rank 0/64} MD step = 298400 step time: 00:00:00.167184 Performance: 64.969 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:19:58,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298400 59680 59.756 -32584 6549.3 -39134 -39134 -0.00020954 -0.00034288 -0.00085719 5.2068e+05 2024-05-08 16:20:14,724 INFO [main.py:798]
{rank 0/64} MD step = 298500 step time: 00:00:00.156428 Performance: 64.972 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:20:19,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298500 59700 60.046 -32586 6581.1 -39167 -39167 -0.00017144 -0.00057146 -5.9527e-05 5.2086e+05 2024-05-08 16:20:36,676 INFO [main.py:798]
{rank 0/64} MD step = 298600 step time: 00:00:00.159256 Performance: 64.976 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:20:42,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298600 59720 60.671 -32522 6649.6 -39171 -39171 0.00012382 -0.00038097 -0.00022382 5.2104e+05 2024-05-08 16:20:58,675 INFO [main.py:798]
{rank 0/64} MD step = 298700 step time: 00:00:00.165331 Performance: 64.980 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 16:21:04,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298700 59740 59.154 -32619 6483.4 -39102 -39102 -0.00034288 -0.00038097 7.6195e-05 5.2123e+05 2024-05-08 16:21:20,295 INFO [main.py:798]
{rank 0/64} MD step = 298800 step time: 00:00:00.166724 Performance: 64.984 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:21:24,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298800 59760 59.994 -32552 6575.5 -39128 -39128 0.00041907 -0.00032383 -0.00047622 5.2141e+05 2024-05-08 16:21:41,585 INFO [main.py:798]
{rank 0/64} MD step = 298900 step time: 00:00:00.160681 Performance: 64.988 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:21:46,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298900 59780 60.41 -32439 6621 -39060 -39060 -0.00017144 -0.00026668 -0.00058099 5.216e+05 2024-05-08 16:22:01,992 INFO [main.py:798]
{rank 0/64} MD step = 299000 step time: 00:00:00.149043 Performance: 64.993 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:22:07,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299000 59800 60.723 -32546 6655.3 -39201 -39201 -0.00047622 -0.00059051 -0.00018096 5.2175e+05 2024-05-08 16:22:27,641 INFO [main.py:798]
{rank 0/64} MD step = 299100 step time: 00:00:00.154951 Performance: 64.994 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:22:34,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299100 59820 60.212 -32551 6599.3 -39150 -39150 0.00013334 -0.00028097 -8.5719e-05 5.2193e+05 2024-05-08 16:22:50,292 INFO [main.py:798]
{rank 0/64} MD step = 299200 step time: 00:00:00.159576 Performance: 64.997 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 16:22:55,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299200 59840 60.259 -32526 6604.5 -39131 -39131 -0.00025716 -0.00060956 -0.00017144 5.2212e+05 2024-05-08 16:23:10,997 INFO [main.py:798]
{rank 0/64} MD step = 299300 step time: 00:00:00.148051 Performance: 65.002 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 16:23:16,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299300 59860 60.877 -32484 6672.2 -39156 -39156 -0.00011429 -0.00071433 -0.00038097 5.2231e+05 2024-05-08 16:23:32,058 INFO [main.py:798]
{rank 0/64} MD step = 299400 step time: 00:00:00.157321 Performance: 65.007 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 16:23:37,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299400 59880 59.463 -32593 6517.2 -39110 -39110 -0.00045717 -0.00045717 -0.00053336 5.2247e+05 2024-05-08 16:23:53,877 INFO [main.py:798]
{rank 0/64} MD step = 299500 step time: 00:00:00.154072 Performance: 65.010 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 16:24:01,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299500 59900 59.535 -32716 6525.1 -39241 -39241 5.7146e-05 -0.00041907 -0.00047622 5.2265e+05 2024-05-08 16:24:16,872 INFO [main.py:798]
{rank 0/64} MD step = 299600 step time: 00:00:00.157763 Performance: 65.013 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 16:24:23,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299600 59920 59.619 -32720 6534.3 -39254 -39254 -0.00038097 -0.00057146 -0.0007429 5.2282e+05 2024-05-08 16:24:39,598 INFO [main.py:798]
{rank 0/64} MD step = 299700 step time: 00:00:00.158941 Performance: 65.016 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 16:24:45,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299700 59940 59.377 -32700 6507.8 -39208 -39208 -0.00024763 -0.0003524 -0.00011429 5.2299e+05 2024-05-08 16:25:00,505 INFO [main.py:798]
{rank 0/64} MD step = 299800 step time: 00:00:00.151763 Performance: 65.021 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 16:25:09,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299800 59960 59.626 -32725 6535.1 -39260 -39260 -0.00039526 -0.00051431 -0.00026668 5.2318e+05 2024-05-08 16:25:25,777 INFO [main.py:798]
{rank 0/64} MD step = 299900 step time: 00:00:00.153649 Performance: 65.022 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 16:25:31,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299900 59980 59.898 -32559 6564.9 -39124 -39124 -0.00028573 -0.00045717 -5.7146e-05 5.2336e+05 2024-05-08 16:25:47,160 INFO [main.py:798]
{rank 0/64} MD step = 300000 step time: 00:00:00.160878 Performance: 65.026 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 16:25:55,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300000 60000 60.133 -32693 6590.7 -39283 -39283 -9.5243e-06 9.5243e-06 5.7146e-05 5.235e+05 2024-05-08 16:26:11,411 INFO [main.py:798]
{rank 0/64} MD step = 300100 step time: 00:00:00.167592 Performance: 65.028 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 16:26:16,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300100 60020 59.64 -32719 6536.6 -39256 -39256 -0.00041907 -0.00034288 9.5243e-05 5.2369e+05 2024-05-08 16:26:31,881 INFO [main.py:798]
{rank 0/64} MD step = 300200 step time: 00:00:00.153749 Performance: 65.033 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 16:26:38,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300200 60040 59.916 -32612 6566.9 -39179 -39179 -0.00045717 -0.00026668 -0.00053336 5.2385e+05 2024-05-08 16:26:54,295 INFO [main.py:798]
{rank 0/64} MD step = 300300 step time: 00:00:00.159495 Performance: 65.037 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 16:26:58,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300300 60060 60.683 -32421 6651 -39072 -39072 -0.00016191 -0.00055241 -0.00060956 5.2403e+05 2024-05-08 16:27:16,011 INFO [main.py:798]
{rank 0/64} MD step = 300400 step time: 00:00:00.154303 Performance: 65.041 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 16:27:22,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300400 60080 60.312 -32493 6610.3 -39103 -39103 -0.00022858 -0.00061908 -0.00045717 5.242e+05 2024-05-08 16:27:39,150 INFO [main.py:798]
{rank 0/64} MD step = 300500 step time: 00:00:00.157015 Performance: 65.043 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 16:27:43,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300500 60100 60.506 -32592 6631.5 -39223 -39223 -0.00053336 -0.00062384 -0.00057146 5.2433e+05 2024-05-08 16:28:02,590 INFO [main.py:798]
{rank 0/64} MD step = 300600 step time: 00:00:00.158872 Performance: 65.046 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 16:28:12,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300600 60120 60.548 -32447 6636.2 -39083 -39083 -0.00025716 -0.00024763 -3.8097e-05 5.2451e+05 2024-05-08 16:28:27,948 INFO [main.py:798]
{rank 0/64} MD step = 300700 step time: 00:00:00.170937 Performance: 65.047 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 16:28:31,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300700 60140 61.28 -32340 6716.3 -39056 -39056 -0.00047622 -0.00063337 -0.00038097 5.2467e+05 2024-05-08 16:28:48,611 INFO [main.py:798]
{rank 0/64} MD step = 300800 step time: 00:00:00.155464 Performance: 65.052 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 16:28:54,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300800 60160 60.391 -32370 6618.9 -38988 -38988 -0.00034288 -0.00063813 -0.00044764 5.2486e+05 2024-05-08 16:29:09,960 INFO [main.py:798]
{rank 0/64} MD step = 300900 step time: 00:00:00.157083 Performance: 65.056 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 16:29:16,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300900 60180 59.86 -32648 6560.7 -39209 -39209 -0.00022858 -3.8097e-05 -0.00062861 5.2502e+05 2024-05-08 16:29:31,395 INFO [main.py:798]
{rank 0/64} MD step = 301000 step time: 00:00:00.160093 Performance: 65.060 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 16:29:38,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301000 60200 59.212 -32670 6489.7 -39160 -39160 -0.00053336 -0.00045717 -3.8097e-05 5.2521e+05 2024-05-08 16:29:54,191 INFO [main.py:798]
{rank 0/64} MD step = 301100 step time: 00:00:00.153291 Performance: 65.063 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 16:29:58,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301100 60220 59.433 -32609 6513.9 -39123 -39123 -0.00045717 0.00011905 -0.00041907 5.2541e+05 2024-05-08 16:30:15,146 INFO [main.py:798]
{rank 0/64} MD step = 301200 step time: 00:00:00.154876 Performance: 65.068 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 16:30:22,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301200 60240 60.416 -32559 6621.7 -39181 -39181 -0.00026668 -0.00026668 -0.00060956 5.2554e+05 2024-05-08 16:30:38,536 INFO [main.py:798]
{rank 0/64} MD step = 301300 step time: 00:00:00.156686 Performance: 65.070 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 16:30:45,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301300 60260 60.063 -32643 6583 -39226 -39226 -0.00036193 -0.00046193 -0.00017144 5.2571e+05 2024-05-08 16:31:01,030 INFO [main.py:798]
{rank 0/64} MD step = 301400 step time: 00:00:00.165597 Performance: 65.074 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 16:31:06,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301400 60280 59.655 -32636 6538.2 -39174 -39174 -0.00013334 -0.00050003 -0.00044764 5.2592e+05 2024-05-08 16:31:22,389 INFO [main.py:798]
{rank 0/64} MD step = 301500 step time: 00:00:00.152289 Performance: 65.078 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 16:31:28,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301500 60300 59.051 -32754 6472.1 -39226 -39226 -0.00041907 -0.00034288 0.00012382 5.2611e+05 2024-05-08 16:31:44,419 INFO [main.py:798]
{rank 0/64} MD step = 301600 step time: 00:00:00.157753 Performance: 65.082 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 16:31:52,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301600 60320 60.042 -32538 6580.7 -39119 -39119 -0.00021906 -0.0007048 -0.00038097 5.263e+05 2024-05-08 16:32:08,612 INFO [main.py:798]
{rank 0/64} MD step = 301700 step time: 00:00:00.165134 Performance: 65.083 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 16:32:14,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301700 60340 60.48 -32606 6628.6 -39235 -39235 0.00040002 -0.00054289 -0.0006667 5.2643e+05 2024-05-08 16:32:30,711 INFO [main.py:798]
{rank 0/64} MD step = 301800 step time: 00:00:00.173717 Performance: 65.087 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 16:32:37,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301800 60360 59.48 -32659 6519 -39178 -39178 -0.00030478 -0.00038097 -0.00020954 5.2661e+05 2024-05-08 16:32:53,684 INFO [main.py:798]
{rank 0/64} MD step = 301900 step time: 00:00:00.157895 Performance: 65.090 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 16:32:58,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301900 60380 59.126 -32583 6480.3 -39063 -39063 -0.00028097 -0.00023335 -1.9049e-05 5.2681e+05 2024-05-08 16:33:14,694 INFO [main.py:798]
{rank 0/64} MD step = 302000 step time: 00:00:00.164755 Performance: 65.094 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 16:33:20,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302000 60400 59.903 -32585 6565.4 -39151 -39151 -0.00051431 -0.00027621 -6.1908e-05 5.2698e+05 2024-05-08 16:33:36,622 INFO [main.py:798]
{rank 0/64} MD step = 302100 step time: 00:00:00.163866 Performance: 65.098 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 16:33:41,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302100 60420 59.902 -32590 6565.4 -39156 -39156 -0.00028573 -0.0007048 -0.00033811 5.2713e+05 2024-05-08 16:33:57,735 INFO [main.py:798]
{rank 0/64} MD step = 302200 step time: 00:00:00.166183 Performance: 65.103 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 16:34:02,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302200 60440 60.329 -32513 6612.2 -39125 -39125 -0.00030478 -0.00047622 -0.00020477 5.2731e+05 2024-05-08 16:34:18,953 INFO [main.py:798]
{rank 0/64} MD step = 302300 step time: 00:00:00.171272 Performance: 65.107 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 16:34:23,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302300 60460 61.326 -32444 6721.4 -39165 -39165 -0.00038097 -0.00026668 -0.00022858 5.2751e+05 2024-05-08 16:34:40,453 INFO [main.py:798]
{rank 0/64} MD step = 302400 step time: 00:00:00.164915 Performance: 65.111 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 16:34:46,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302400 60480 59.568 -32665 6528.7 -39194 -39194 -0.00027621 -0.00055241 -0.00030478 5.2769e+05 2024-05-08 16:35:02,778 INFO [main.py:798]
{rank 0/64} MD step = 302500 step time: 00:00:00.165111 Performance: 65.114 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 16:35:09,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302500 60500 59.723 -32581 6545.7 -39127 -39127 -0.00020001 -0.00045717 -0.00077623 5.2786e+05 2024-05-08 16:35:24,500 INFO [main.py:798]
{rank 0/64} MD step = 302600 step time: 00:00:00.161797 Performance: 65.118 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 16:35:30,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302600 60520 59.605 -32514 6532.7 -39047 -39047 -0.00024763 -0.00049527 -3.8097e-05 5.2804e+05 2024-05-08 16:35:46,991 INFO [main.py:798]
{rank 0/64} MD step = 302700 step time: 00:00:00.165154 Performance: 65.122 ns/day 0.369 hours/ns 3.769 steps/s 2024-05-08 16:35:53,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302700 60540 61.084 -32435 6694.9 -39130 -39130 -0.00019049 -0.0005167 -0.00011429 5.282e+05 2024-05-08 16:36:09,743 INFO [main.py:798]
{rank 0/64} MD step = 302800 step time: 00:00:00.152031 Performance: 65.125 ns/day 0.369 hours/ns 3.769 steps/s 2024-05-08 16:36:16,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302800 60560 60.522 -32499 6633.3 -39133 -39133 -0.00028573 -0.00053336 -0.00038097 5.2837e+05 2024-05-08 16:36:33,118 INFO [main.py:798]
{rank 0/64} MD step = 302900 step time: 00:00:00.163612 Performance: 65.127 ns/day 0.369 hours/ns 3.769 steps/s 2024-05-08 16:36:39,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302900 60580 60.418 -32517 6621.9 -39138 -39138 0.00015239 -0.00030478 -0.00043812 5.2855e+05 2024-05-08 16:36:55,777 INFO [main.py:798]
{rank 0/64} MD step = 303000 step time: 00:00:00.160996 Performance: 65.130 ns/day 0.368 hours/ns 3.769 steps/s 2024-05-08 16:37:02,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303000 60600 60.952 -32507 6680.5 -39188 -39188 -0.00037621 -0.00047622 -0.00028573 5.2875e+05 2024-05-08 16:37:18,167 INFO [main.py:798]
{rank 0/64} MD step = 303100 step time: 00:00:00.162475 Performance: 65.134 ns/day 0.368 hours/ns 3.769 steps/s 2024-05-08 16:37:24,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303100 60620 59.363 -32722 6506.3 -39228 -39228 -0.00047622 -0.00019049 -0.00064766 5.2891e+05 2024-05-08 16:37:40,602 INFO [main.py:798]
{rank 0/64} MD step = 303200 step time: 00:00:00.160237 Performance: 65.137 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 16:37:47,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303200 60640 60.122 -32617 6589.4 -39206 -39206 -0.00031907 -0.00041907 -0.00033335 5.2907e+05 2024-05-08 16:38:03,670 INFO [main.py:798]
{rank 0/64} MD step = 303300 step time: 00:00:00.173545 Performance: 65.140 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 16:38:10,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303300 60660 60.213 -32459 6599.5 -39058 -39058 -0.00038097 -0.00026668 -0.00038097 5.2926e+05 2024-05-08 16:38:25,669 INFO [main.py:798]
{rank 0/64} MD step = 303400 step time: 00:00:00.180731 Performance: 65.144 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 16:38:36,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303400 60680 60.584 -32464 6640.1 -39104 -39104 -0.00022858 -0.00064766 -0.00064766 5.2946e+05 2024-05-08 16:38:52,352 INFO [main.py:798]
{rank 0/64} MD step = 303500 step time: 00:00:00.166390 Performance: 65.143 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 16:39:01,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303500 60700 60.299 -32624 6608.8 -39233 -39233 -0.00024763 -0.00060956 -0.00038097 5.2959e+05 2024-05-08 16:39:17,125 INFO [main.py:798]
{rank 0/64} MD step = 303600 step time: 00:00:00.173202 Performance: 65.145 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 16:39:23,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303600 60720 60.973 -32449 6682.7 -39131 -39131 -0.00030478 -0.00050003 -2.8573e-05 5.2977e+05 2024-05-08 16:39:39,004 INFO [main.py:798]
{rank 0/64} MD step = 303700 step time: 00:00:00.166710 Performance: 65.149 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 16:39:46,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303700 60740 60.227 -32418 6601 -39019 -39019 -0.00032383 -0.00026668 -0.00011429 5.2996e+05 2024-05-08 16:40:01,702 INFO [main.py:798]
{rank 0/64} MD step = 303800 step time: 00:00:00.159532 Performance: 65.152 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 16:40:08,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303800 60760 60.763 -32450 6659.7 -39110 -39110 -0.00040002 -0.00053336 -7.6195e-05 5.3012e+05 2024-05-08 16:40:24,822 INFO [main.py:798]
{rank 0/64} MD step = 303900 step time: 00:00:00.185336 Performance: 65.154 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:40:31,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303900 60780 60.213 -32497 6599.5 -39096 -39096 -0.00020954 -0.00038097 -0.00064766 5.3032e+05 2024-05-08 16:40:46,782 INFO [main.py:798]
{rank 0/64} MD step = 304000 step time: 00:00:00.170687 Performance: 65.158 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:40:52,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304000 60800 59.793 -32673 6553.3 -39226 -39226 -0.00044764 -0.00038097 -0.00049527 5.305e+05 2024-05-08 16:41:08,874 INFO [main.py:798]
{rank 0/64} MD step = 304100 step time: 00:00:00.163305 Performance: 65.162 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:41:20,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304100 60820 59.935 -32644 6569 -39213 -39213 -0.00027621 -0.00019049 -0.00063575 5.3064e+05 2024-05-08 16:41:36,940 INFO [main.py:798]
{rank 0/64} MD step = 304200 step time: 00:00:00.168846 Performance: 65.160 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:41:43,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304200 60840 60.507 -32508 6631.6 -39140 -39140 -0.00028573 -0.00053336 -0.0006667 5.3084e+05 2024-05-08 16:41:59,662 INFO [main.py:798]
{rank 0/64} MD step = 304300 step time: 00:00:00.162785 Performance: 65.164 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:42:07,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304300 60860 59.676 -32803 6540.6 -39344 -39344 -0.00030954 -0.00057146 -0.00038097 5.3099e+05 2024-05-08 16:42:23,330 INFO [main.py:798]
{rank 0/64} MD step = 304400 step time: 00:00:00.166704 Performance: 65.166 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:42:30,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304400 60880 60.37 -32483 6616.6 -39100 -39100 -0.00030478 -0.00062861 -0.00048574 5.3122e+05 2024-05-08 16:42:48,497 INFO [main.py:798]
{rank 0/64} MD step = 304500 step time: 00:00:00.167201 Performance: 65.167 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:42:58,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304500 60900 59.847 -32622 6559.3 -39181 -39181 0.00024763 -0.00042383 -0.0007048 5.3138e+05 2024-05-08 16:43:15,327 INFO [main.py:798]
{rank 0/64} MD step = 304600 step time: 00:00:00.159448 Performance: 65.167 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:43:32,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304600 60920 59.895 -32531 6564.5 -39095 -39095 -0.00043812 0.00020001 -0.00040002 5.3156e+05 2024-05-08 16:43:51,298 INFO [main.py:798]
{rank 0/64} MD step = 304700 step time: 00:00:00.156140 Performance: 65.159 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:43:57,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304700 60940 60.631 -32526 6645.2 -39171 -39171 -0.00038097 -0.00058099 -0.00037383 5.3174e+05 2024-05-08 16:44:13,595 INFO [main.py:798]
{rank 0/64} MD step = 304800 step time: 00:00:00.152215 Performance: 65.162 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:44:20,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304800 60960 60.43 -32509 6623.2 -39132 -39132 -0.00036193 -0.00036193 -0.00050479 5.319e+05 2024-05-08 16:44:36,192 INFO [main.py:798]
{rank 0/64} MD step = 304900 step time: 00:00:00.158192 Performance: 65.166 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:44:45,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304900 60980 60.609 -32598 6642.8 -39240 -39240 -0.0004286 -0.0004905 -0.00019049 5.3205e+05 2024-05-08 16:45:01,192 INFO [main.py:798]
{rank 0/64} MD step = 305000 step time: 00:00:00.155030 Performance: 65.167 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:45:06,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305000 61000 59.75 -32644 6548.6 -39192 -39192 -0.00011429 -0.00041907 -0.00060003 5.3224e+05 2024-05-08 16:45:22,749 INFO [main.py:798]
{rank 0/64} MD step = 305100 step time: 00:00:00.153465 Performance: 65.171 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 16:45:29,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305100 61020 60.348 -32620 6614.2 -39234 -39234 -0.00036193 -0.00043812 -4.7622e-05 5.3237e+05 2024-05-08 16:45:46,035 INFO [main.py:798]
{rank 0/64} MD step = 305200 step time: 00:00:00.156327 Performance: 65.173 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 16:45:52,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305200 61040 59.911 -32667 6566.3 -39234 -39234 -0.00032383 -0.00040955 -7.6195e-05 5.3256e+05 2024-05-08 16:46:08,718 INFO [main.py:798]
{rank 0/64} MD step = 305300 step time: 00:00:00.161414 Performance: 65.177 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 16:46:14,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305300 61060 60.425 -32528 6622.7 -39151 -39151 -0.00016906 -0.00026668 -0.00029525 5.3272e+05 2024-05-08 16:46:30,902 INFO [main.py:798]
{rank 0/64} MD step = 305400 step time: 00:00:00.148129 Performance: 65.180 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 16:46:36,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305400 61080 59.239 -32631 6492.7 -39124 -39124 -0.0003905 -0.00038097 -0.00044288 5.329e+05 2024-05-08 16:46:53,004 INFO [main.py:798]
{rank 0/64} MD step = 305500 step time: 00:00:00.150479 Performance: 65.184 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 16:47:00,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305500 61100 59.945 -32552 6570 -39122 -39122 -0.00011429 -0.00040955 -5.7146e-05 5.331e+05 2024-05-08 16:47:16,142 INFO [main.py:798]
{rank 0/64} MD step = 305600 step time: 00:00:00.156475 Performance: 65.186 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 16:47:26,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305600 61120 59.961 -32574 6571.8 -39146 -39146 0.00028573 -0.0006667 -0.00045717 5.3325e+05 2024-05-08 16:47:41,847 INFO [main.py:798]
{rank 0/64} MD step = 305700 step time: 00:00:00.161741 Performance: 65.187 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 16:47:51,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305700 61140 59.807 -32582 6555 -39137 -39137 -0.00030478 -9.5243e-05 -0.00036193 5.3346e+05 2024-05-08 16:48:07,491 INFO [main.py:798]
{rank 0/64} MD step = 305800 step time: 00:00:00.164533 Performance: 65.188 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 16:48:12,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305800 61160 60.068 -32673 6583.5 -39256 -39256 -0.00015239 -0.0003524 7.6195e-05 5.3358e+05 2024-05-08 16:48:30,135 INFO [main.py:798]
{rank 0/64} MD step = 305900 step time: 00:00:00.161592 Performance: 65.191 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 16:48:38,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305900 61180 59.708 -32624 6544.1 -39168 -39168 -0.00015239 -0.00047622 -0.00080005 5.3376e+05 2024-05-08 16:48:54,678 INFO [main.py:798]
{rank 0/64} MD step = 306000 step time: 00:00:00.159704 Performance: 65.192 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 16:48:58,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306000 61200 60.361 -32499 6615.6 -39115 -39115 -0.00048574 -0.00034288 -0.00038097 5.3394e+05 2024-05-08 16:49:16,491 INFO [main.py:798]
{rank 0/64} MD step = 306100 step time: 00:00:00.161447 Performance: 65.196 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 16:49:22,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306100 61220 59.927 -32715 6568.1 -39283 -39283 -1.9049e-05 -0.00051431 -0.00026668 5.341e+05 2024-05-08 16:49:39,143 INFO [main.py:798]
{rank 0/64} MD step = 306200 step time: 00:00:00.160839 Performance: 65.199 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 16:49:46,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306200 61240 60.187 -32501 6596.6 -39098 -39098 -0.00020001 -0.00041907 -0.00081909 5.3427e+05 2024-05-08 16:50:01,055 INFO [main.py:798]
{rank 0/64} MD step = 306300 step time: 00:00:00.152536 Performance: 65.203 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 16:50:08,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306300 61260 60.018 -32595 6578.1 -39173 -39173 -0.00040002 -0.00056194 -0.0007429 5.3445e+05 2024-05-08 16:50:23,856 INFO [main.py:798]
{rank 0/64} MD step = 306400 step time: 00:00:00.153728 Performance: 65.206 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 16:50:32,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306400 61280 59.938 -32697 6569.2 -39267 -39267 -0.00011429 -0.00045717 0 5.3461e+05 2024-05-08 16:50:49,277 INFO [main.py:798]
{rank 0/64} MD step = 306500 step time: 00:00:00.153364 Performance: 65.207 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 16:50:54,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306500 61300 60.584 -32565 6640.1 -39205 -39205 0.00022858 -0.00057146 -0.00013334 5.3478e+05 2024-05-08 16:51:10,962 INFO [main.py:798]
{rank 0/64} MD step = 306600 step time: 00:00:00.156437 Performance: 65.211 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 16:51:16,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306600 61320 61.432 -32490 6733 -39223 -39223 -0.00026668 -0.00031907 -0.00011429 5.3495e+05 2024-05-08 16:51:32,858 INFO [main.py:798]
{rank 0/64} MD step = 306700 step time: 00:00:00.153788 Performance: 65.214 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 16:51:43,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306700 61340 59.533 -32546 6524.9 -39071 -39071 -0.0004286 -0.00040002 -0.00051431 5.3512e+05 2024-05-08 16:51:59,287 INFO [main.py:798]
{rank 0/64} MD step = 306800 step time: 00:00:00.155780 Performance: 65.214 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 16:52:03,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306800 61360 59.535 -32603 6525.1 -39128 -39128 9.5243e-05 -0.00046669 -2.3811e-05 5.3529e+05 2024-05-08 16:52:21,901 INFO [main.py:798]
{rank 0/64} MD step = 306900 step time: 00:00:00.154449 Performance: 65.217 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 16:52:28,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306900 61380 59.663 -32553 6539.2 -39092 -39092 -0.00060956 -0.00037145 -0.00021906 5.355e+05 2024-05-08 16:52:43,907 INFO [main.py:798]
{rank 0/64} MD step = 307000 step time: 00:00:00.159152 Performance: 65.221 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 16:52:51,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307000 61400 60.027 -32637 6579 -39216 -39216 -0.00026668 -0.00036193 -0.00067623 5.3567e+05 2024-05-08 16:53:07,314 INFO [main.py:798]
{rank 0/64} MD step = 307100 step time: 00:00:00.156812 Performance: 65.223 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 16:53:11,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307100 61420 60.603 -32602 6642.2 -39244 -39244 -0.00028573 -0.00068575 -0.00012382 5.3583e+05 2024-05-08 16:53:29,163 INFO [main.py:798]
{rank 0/64} MD step = 307200 step time: 00:00:00.162993 Performance: 65.227 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 16:53:34,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307200 61440 60.218 -32520 6600 -39120 -39120 -0.00040002 -0.00045717 -0.00042383 5.3605e+05 2024-05-08 16:53:50,788 INFO [main.py:798]
{rank 0/64} MD step = 307300 step time: 00:00:00.161677 Performance: 65.231 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 16:53:56,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307300 61460 59.521 -32689 6523.5 -39213 -39213 -0.00030478 -0.00053336 -0.0004905 5.3617e+05 2024-05-08 16:54:12,240 INFO [main.py:798]
{rank 0/64} MD step = 307400 step time: 00:00:00.152750 Performance: 65.235 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 16:54:17,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307400 61480 59.859 -32499 6560.6 -39060 -39060 -0.00028573 -0.0006667 -0.00022858 5.3639e+05 2024-05-08 16:54:33,779 INFO [main.py:798]
{rank 0/64} MD step = 307500 step time: 00:00:00.151378 Performance: 65.239 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 16:54:39,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307500 61500 59.5 -32609 6521.3 -39130 -39130 -0.00041907 -0.00068575 -0.00034288 5.3654e+05 2024-05-08 16:54:55,451 INFO [main.py:798]
{rank 0/64} MD step = 307600 step time: 00:00:00.155972 Performance: 65.243 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 16:55:02,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307600 61520 59.498 -32712 6521 -39233 -39233 -0.00029049 -0.0004286 -0.00024763 5.3672e+05 2024-05-08 16:55:18,665 INFO [main.py:798]
{rank 0/64} MD step = 307700 step time: 00:00:00.154411 Performance: 65.246 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 16:55:24,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307700 61540 59.243 -32590 6493.1 -39083 -39083 -0.00013334 -0.00064766 -0.00019049 5.3688e+05 2024-05-08 16:55:40,533 INFO [main.py:798]
{rank 0/64} MD step = 307800 step time: 00:00:00.159641 Performance: 65.249 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 16:55:48,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307800 61560 60.364 -32457 6616 -39073 -39073 -0.00011429 -0.00026668 -0.00041907 5.3709e+05 2024-05-08 16:56:04,742 INFO [main.py:798]
{rank 0/64} MD step = 307900 step time: 00:00:00.155903 Performance: 65.251 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 16:56:11,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307900 61580 59.87 -32461 6561.8 -39023 -39023 0.00011429 -0.00024763 -3.8097e-05 5.3728e+05 2024-05-08 16:56:27,332 INFO [main.py:798]
{rank 0/64} MD step = 308000 step time: 00:00:00.148850 Performance: 65.254 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 16:56:34,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308000 61600 59.906 -32600 6565.8 -39166 -39166 -0.00036193 -0.00064766 -0.00057146 5.3742e+05 2024-05-08 16:56:49,874 INFO [main.py:798]
{rank 0/64} MD step = 308100 step time: 00:00:00.161760 Performance: 65.257 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 16:57:05,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308100 61620 59.059 -32642 6473 -39114 -39114 -0.00030478 -0.00026668 -0.00045717 5.3765e+05 2024-05-08 16:57:19,778 INFO [main.py:798]
{rank 0/64} MD step = 308200 step time: 00:00:00.160467 Performance: 65.255 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 16:57:26,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308200 61640 60.373 -32534 6617 -39151 -39151 -0.00047622 -0.00033335 -0.00052384 5.3782e+05 2024-05-08 16:57:41,906 INFO [main.py:798]
{rank 0/64} MD step = 308300 step time: 00:00:00.146203 Performance: 65.258 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 16:57:46,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308300 61660 60.279 -32572 6606.6 -39179 -39179 -0.00017144 -0.00037145 -0.00030478 5.3798e+05 2024-05-08 16:58:03,232 INFO [main.py:798]
{rank 0/64} MD step = 308400 step time: 00:00:00.157854 Performance: 65.262 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 16:58:11,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308400 61680 60.311 -32429 6610.2 -39039 -39039 -0.00023811 -5.7146e-05 -0.00022858 5.3815e+05 2024-05-08 16:58:28,521 INFO [main.py:798]
{rank 0/64} MD step = 308500 step time: 00:00:00.159305 Performance: 65.263 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 16:58:36,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308500 61700 60.261 -32598 6604.7 -39203 -39203 -0.00028573 -0.00055241 4.7622e-05 5.3829e+05 2024-05-08 16:58:51,359 INFO [main.py:798]
{rank 0/64} MD step = 308600 step time: 00:00:00.165788 Performance: 65.266 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 16:58:57,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308600 61720 59.608 -32619 6533.1 -39153 -39153 -0.00028573 -0.00060956 -9.5243e-06 5.3847e+05 2024-05-08 16:59:12,045 INFO [main.py:798]
{rank 0/64} MD step = 308700 step time: 00:00:00.143462 Performance: 65.271 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 16:59:22,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308700 61740 59.666 -32642 6539.4 -39181 -39181 -0.00028573 -0.00049527 -0.00049527 5.3865e+05 2024-05-08 16:59:38,240 INFO [main.py:798]
{rank 0/64} MD step = 308800 step time: 00:00:00.140646 Performance: 65.271 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 16:59:47,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308800 61760 60.16 -32694 6593.6 -39287 -39287 -0.00022858 -0.00026668 -7.6195e-05 5.388e+05 2024-05-08 17:00:03,672 INFO [main.py:798]
{rank 0/64} MD step = 308900 step time: 00:00:00.149904 Performance: 65.272 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 17:00:11,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308900 61780 60.894 -32623 6674.1 -39297 -39297 -0.00030478 -0.00026668 0 5.3897e+05 2024-05-08 17:00:27,381 INFO [main.py:798]
{rank 0/64} MD step = 309000 step time: 00:00:00.148558 Performance: 65.274 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 17:00:34,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309000 61800 59.894 -32556 6564.4 -39120 -39120 -0.00030002 -0.00028573 -0.00040002 5.3915e+05 2024-05-08 17:00:50,324 INFO [main.py:798]
{rank 0/64} MD step = 309100 step time: 00:00:00.156678 Performance: 65.277 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 17:00:58,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309100 61820 59.873 -32611 6562.2 -39173 -39173 -0.00018096 -0.00062861 -0.00015239 5.3931e+05 2024-05-08 17:01:14,119 INFO [main.py:798]
{rank 0/64} MD step = 309200 step time: 00:00:00.164674 Performance: 65.279 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 17:01:20,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309200 61840 60.633 -32423 6645.5 -39069 -39069 -0.00041907 -0.00049527 -0.00068575 5.3949e+05 2024-05-08 17:01:36,576 INFO [main.py:798]
{rank 0/64} MD step = 309300 step time: 00:00:00.163188 Performance: 65.282 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 17:01:44,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309300 61860 59.336 -32630 6503.3 -39133 -39133 -0.00036669 -0.00026668 -0.0007429 5.3967e+05 2024-05-08 17:02:00,558 INFO [main.py:798]
{rank 0/64} MD step = 309400 step time: 00:00:00.157102 Performance: 65.284 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 17:02:07,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309400 61880 60.742 -32422 6657.4 -39079 -39079 -0.00050479 -0.00062861 -0.00058575 5.3986e+05 2024-05-08 17:02:23,828 INFO [main.py:798]
{rank 0/64} MD step = 309500 step time: 00:00:00.159397 Performance: 65.287 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 17:02:31,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309500 61900 59.886 -32569 6563.6 -39132 -39132 -0.00038097 -0.00034288 -0.00059051 5.4002e+05 2024-05-08 17:02:47,751 INFO [main.py:798]
{rank 0/64} MD step = 309600 step time: 00:00:00.159421 Performance: 65.289 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 17:02:53,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309600 61920 60.135 -32521 6590.9 -39112 -39112 8.5719e-05 -0.00059051 -0.00019049 5.4019e+05 2024-05-08 17:03:09,604 INFO [main.py:798]
{rank 0/64} MD step = 309700 step time: 00:00:00.160462 Performance: 65.292 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 17:03:17,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309700 61940 60.028 -32531 6579.1 -39110 -39110 -0.00024763 -0.00049527 -7.6195e-05 5.4036e+05 2024-05-08 17:03:32,901 INFO [main.py:798]
{rank 0/64} MD step = 309800 step time: 00:00:00.164802 Performance: 65.295 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 17:03:38,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309800 61960 59.528 -32669 6524.3 -39193 -39193 -0.00043812 -0.00041907 6.667e-05 5.4052e+05 2024-05-08 17:03:54,221 INFO [main.py:798]
{rank 0/64} MD step = 309900 step time: 00:00:00.152290 Performance: 65.299 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 17:03:59,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309900 61980 59.976 -32604 6573.5 -39177 -39177 -7.6195e-05 -0.00030478 -0.00047622 5.4071e+05 2024-05-08 17:04:16,218 INFO [main.py:798]
{rank 0/64} MD step = 310000 step time: 00:00:00.155608 Performance: 65.303 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 17:04:23,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310000 62000 58.729 -32703 6436.7 -39140 -39140 -0.00041907 -0.00053336 -0.00038097 5.4088e+05 2024-05-08 17:04:38,910 INFO [main.py:798]
{rank 0/64} MD step = 310100 step time: 00:00:00.157359 Performance: 65.306 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 17:04:44,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310100 62020 60.199 -32555 6597.9 -39153 -39153 -0.00030478 -0.00030478 -0.00041907 5.4109e+05 2024-05-08 17:05:00,672 INFO [main.py:798]
{rank 0/64} MD step = 310200 step time: 00:00:00.153885 Performance: 65.309 ns/day 0.367 hours/ns 3.779 steps/s 2024-05-08 17:05:06,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310200 62040 59.996 -32623 6575.6 -39199 -39199 -0.00019049 -0.00041907 -0.00060956 5.4126e+05 2024-05-08 17:05:22,993 INFO [main.py:798]
{rank 0/64} MD step = 310300 step time: 00:00:00.157613 Performance: 65.313 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:05:28,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310300 62060 60.037 -32551 6580.1 -39131 -39131 -0.00036193 -0.00037145 -0.00072385 5.4146e+05 2024-05-08 17:05:43,969 INFO [main.py:798]
{rank 0/64} MD step = 310400 step time: 00:00:00.154863 Performance: 65.317 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:05:51,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310400 62080 60.737 -32552 6656.8 -39208 -39208 -0.00051431 -0.00076195 -7.6195e-05 5.4161e+05 2024-05-08 17:06:07,752 INFO [main.py:798]
{rank 0/64} MD step = 310500 step time: 00:00:00.151836 Performance: 65.319 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:06:13,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310500 62100 59.235 -32615 6492.2 -39107 -39107 -0.00025716 -0.00030478 -0.00020954 5.418e+05 2024-05-08 17:06:29,106 INFO [main.py:798]
{rank 0/64} MD step = 310600 step time: 00:00:00.165607 Performance: 65.323 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:06:36,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310600 62120 60.087 -32686 6585.6 -39272 -39272 -0.00022858 -0.00048574 -0.00044764 5.4196e+05 2024-05-08 17:06:52,170 INFO [main.py:798]
{rank 0/64} MD step = 310700 step time: 00:00:00.150558 Performance: 65.326 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:07:20,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310700 62140 60.379 -32406 6617.6 -39023 -39023 -0.00048574 -0.00073814 -0.00053336 5.4219e+05 2024-05-08 17:07:35,628 INFO [main.py:798]
{rank 0/64} MD step = 310800 step time: 00:00:00.189889 Performance: 65.312 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:07:43,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310800 62160 60.053 -32478 6581.9 -39060 -39060 -0.00022858 -0.00044764 -0.00057146 5.4237e+05 2024-05-08 17:07:59,661 INFO [main.py:798]
{rank 0/64} MD step = 310900 step time: 00:00:00.163537 Performance: 65.314 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:08:11,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310900 62180 59.665 -32669 6539.4 -39209 -39209 -0.00038097 -0.00040002 -1.9049e-05 5.4251e+05 2024-05-08 17:08:29,895 INFO [main.py:798]
{rank 0/64} MD step = 311000 step time: 00:00:00.158923 Performance: 65.311 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:08:36,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311000 62200 59.635 -32617 6536.1 -39153 -39153 -0.00030478 -0.00045717 -0.00048574 5.4267e+05 2024-05-08 17:08:53,098 INFO [main.py:798]
{rank 0/64} MD step = 311100 step time: 00:00:00.162297 Performance: 65.314 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:08:57,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311100 62220 59.228 -32552 6491.5 -39043 -39043 0 -0.00055241 -0.00055241 5.4288e+05 2024-05-08 17:09:14,471 INFO [main.py:798]
{rank 0/64} MD step = 311200 step time: 00:00:00.155826 Performance: 65.318 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:09:20,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311200 62240 59.454 -32646 6516.2 -39162 -39162 -0.0003143 -0.00017144 -9.5243e-05 5.4303e+05 2024-05-08 17:09:37,055 INFO [main.py:798]
{rank 0/64} MD step = 311300 step time: 00:00:00.160361 Performance: 65.321 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:09:42,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311300 62260 59.679 -32562 6540.9 -39103 -39103 -0.00011429 -0.0005286 -7.6195e-05 5.4323e+05 2024-05-08 17:09:58,449 INFO [main.py:798]
{rank 0/64} MD step = 311400 step time: 00:00:00.161723 Performance: 65.325 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 17:10:04,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311400 62280 60.407 -32564 6620.7 -39184 -39184 -0.00019049 -0.00049527 3.8097e-05 5.4336e+05 2024-05-08 17:10:20,516 INFO [main.py:798]
{rank 0/64} MD step = 311500 step time: 00:00:00.163312 Performance: 65.328 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:10:24,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311500 62300 60.95 -32583 6680.2 -39263 -39263 -0.00043812 -0.00048574 -0.00051431 5.4356e+05 2024-05-08 17:10:41,757 INFO [main.py:798]
{rank 0/64} MD step = 311600 step time: 00:00:00.159033 Performance: 65.333 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:10:46,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311600 62320 59.314 -32746 6500.8 -39246 -39246 -0.00040002 -0.00058099 -0.0007048 5.4369e+05 2024-05-08 17:11:02,796 INFO [main.py:798]
{rank 0/64} MD step = 311700 step time: 00:00:00.166848 Performance: 65.337 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:11:15,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311700 62340 60.748 -32422 6658 -39080 -39080 -0.00022858 -0.00057146 -0.00053336 5.439e+05 2024-05-08 17:11:31,727 INFO [main.py:798]
{rank 0/64} MD step = 311800 step time: 00:00:00.168424 Performance: 65.335 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:11:41,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311800 62360 60.125 -32512 6589.7 -39102 -39102 -0.00041907 -0.00040478 -0.00047622 5.4406e+05 2024-05-08 17:11:58,298 INFO [main.py:798]
{rank 0/64} MD step = 311900 step time: 00:00:00.157762 Performance: 65.335 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:12:07,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311900 62380 60.347 -32538 6614.1 -39152 -39152 -5.7146e-05 -0.00034288 -0.00064766 5.4425e+05 2024-05-08 17:12:23,499 INFO [main.py:798]
{rank 0/64} MD step = 312000 step time: 00:00:00.152770 Performance: 65.336 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:12:29,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312000 62400 60.113 -32470 6588.5 -39059 -39059 -0.00016191 -0.00040955 -0.00041907 5.4444e+05 2024-05-08 17:12:45,945 INFO [main.py:798]
{rank 0/64} MD step = 312100 step time: 00:00:00.151576 Performance: 65.339 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:12:55,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312100 62420 60.13 -32520 6590.4 -39110 -39110 -0.00054289 -0.00045717 -0.00072385 5.4457e+05 2024-05-08 17:13:12,002 INFO [main.py:798]
{rank 0/64} MD step = 312200 step time: 00:00:00.159066 Performance: 65.339 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:13:15,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312200 62440 59.482 -32670 6519.3 -39189 -39189 -0.00026668 -0.00044764 -0.00047622 5.4473e+05 2024-05-08 17:13:33,906 INFO [main.py:798]
{rank 0/64} MD step = 312300 step time: 00:00:00.164296 Performance: 65.343 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 17:13:40,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312300 62460 59.886 -32448 6563.6 -39012 -39012 -0.00041907 -0.00063337 -5.7146e-05 5.4492e+05 2024-05-08 17:13:56,078 INFO [main.py:798]
{rank 0/64} MD step = 312400 step time: 00:00:00.158245 Performance: 65.346 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 17:14:01,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312400 62480 59.872 -32566 6562 -39128 -39128 -0.00028573 -0.0006667 -0.00077147 5.451e+05 2024-05-08 17:14:18,113 INFO [main.py:798]
{rank 0/64} MD step = 312500 step time: 00:00:00.159821 Performance: 65.350 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 17:14:23,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312500 62500 60.184 -32463 6596.2 -39059 -39059 -0.00030478 -0.00032383 0 5.4527e+05 2024-05-08 17:14:39,470 INFO [main.py:798]
{rank 0/64} MD step = 312600 step time: 00:00:00.153209 Performance: 65.354 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 17:14:45,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312600 62520 60.722 -32540 6655.2 -39195 -39195 -0.00046669 -0.00055241 -0.00048574 5.4544e+05 2024-05-08 17:15:01,131 INFO [main.py:798]
{rank 0/64} MD step = 312700 step time: 00:00:00.158936 Performance: 65.357 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 17:15:07,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312700 62540 59.728 -32742 6546.2 -39289 -39289 -0.00044764 -0.00045717 -0.00055241 5.4558e+05 2024-05-08 17:15:23,121 INFO [main.py:798]
{rank 0/64} MD step = 312800 step time: 00:00:00.143662 Performance: 65.361 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 17:15:31,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312800 62560 60.919 -32650 6676.8 -39327 -39327 -0.00032383 -0.00050479 -0.00059051 5.4573e+05 2024-05-08 17:15:47,245 INFO [main.py:798]
{rank 0/64} MD step = 312900 step time: 00:00:00.148673 Performance: 65.363 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 17:15:51,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312900 62580 60.726 -32457 6655.6 -39112 -39112 -0.00032383 -0.00060956 -3.8097e-05 5.4593e+05 2024-05-08 17:16:09,631 INFO [main.py:798]
{rank 0/64} MD step = 313000 step time: 00:00:00.148533 Performance: 65.366 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 17:16:16,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313000 62600 59.691 -32537 6542.2 -39079 -39079 -0.00023811 -0.0006667 -0.00011429 5.4611e+05 2024-05-08 17:16:32,776 INFO [main.py:798]
{rank 0/64} MD step = 313100 step time: 00:00:00.152206 Performance: 65.369 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 17:16:39,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313100 62620 60.06 -32469 6582.7 -39052 -39052 -0.00020954 -0.00047622 -0.00068575 5.4629e+05 2024-05-08 17:16:55,739 INFO [main.py:798]
{rank 0/64} MD step = 313200 step time: 00:00:00.158086 Performance: 65.371 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 17:17:03,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313200 62640 59.294 -32708 6498.7 -39207 -39207 -0.00020954 -0.00036193 -0.00043812 5.4641e+05 2024-05-08 17:17:19,988 INFO [main.py:798]
{rank 0/64} MD step = 313300 step time: 00:00:00.153759 Performance: 65.373 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 17:17:26,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313300 62660 60.805 -32459 6664.3 -39123 -39123 -0.00045717 -0.00064766 -0.00010477 5.4662e+05 2024-05-08 17:17:42,525 INFO [main.py:798]
{rank 0/64} MD step = 313400 step time: 00:00:00.152640 Performance: 65.376 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 17:17:48,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313400 62680 59.616 -32540 6534 -39074 -39074 -0.00047146 -0.00022858 -0.00052384 5.4679e+05 2024-05-08 17:18:09,608 INFO [main.py:798]
{rank 0/64} MD step = 313500 step time: 00:00:00.150802 Performance: 65.376 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 17:18:15,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313500 62700 61.377 -32371 6727 -39098 -39098 -0.00032383 -0.00053336 5.7146e-05 5.4699e+05 2024-05-08 17:18:32,563 INFO [main.py:798]
{rank 0/64} MD step = 313600 step time: 00:00:00.168867 Performance: 65.378 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 17:18:40,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313600 62720 60.168 -32655 6594.5 -39249 -39249 -0.00012382 -0.00041907 -0.00038097 5.4717e+05 2024-05-08 17:18:55,683 INFO [main.py:798]
{rank 0/64} MD step = 313700 step time: 00:00:00.185248 Performance: 65.381 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 17:19:00,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313700 62740 60.23 -32412 6601.2 -39013 -39013 -0.00040002 -0.00055241 -0.00018096 5.4739e+05 2024-05-08 17:19:18,728 INFO [main.py:798]
{rank 0/64} MD step = 313800 step time: 00:00:00.163866 Performance: 65.384 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 17:19:25,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313800 62760 59.704 -32696 6543.6 -39240 -39240 -0.00024763 -0.00041907 -0.00063813 5.4751e+05 2024-05-08 17:19:40,521 INFO [main.py:798]
{rank 0/64} MD step = 313900 step time: 00:00:00.167761 Performance: 65.387 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 17:19:48,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313900 62780 60.104 -32551 6587.5 -39139 -39139 -0.00028573 -0.00033335 -0.00023811 5.4772e+05 2024-05-08 17:20:04,117 INFO [main.py:798]
{rank 0/64} MD step = 314000 step time: 00:00:00.173569 Performance: 65.390 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 17:20:12,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314000 62800 60.457 -32492 6626.2 -39118 -39118 -0.00023811 -0.00011429 -0.00017144 5.4787e+05 2024-05-08 17:20:27,816 INFO [main.py:798]
{rank 0/64} MD step = 314100 step time: 00:00:00.169698 Performance: 65.392 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 17:20:33,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314100 62820 59.99 -32604 6575 -39179 -39179 0.00015239 -0.00024763 -0.00083814 5.4804e+05 2024-05-08 17:20:49,325 INFO [main.py:798]
{rank 0/64} MD step = 314200 step time: 00:00:00.166420 Performance: 65.396 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 17:20:54,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314200 62840 58.698 -32701 6433.4 -39135 -39135 -0.00037145 -0.00034288 -0.000781 5.4822e+05 2024-05-08 17:21:10,332 INFO [main.py:798]
{rank 0/64} MD step = 314300 step time: 00:00:00.165137 Performance: 65.400 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 17:21:15,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314300 62860 59.536 -32670 6525.2 -39195 -39195 -0.00019049 -0.00038097 -0.00024287 5.4837e+05 2024-05-08 17:21:31,068 INFO [main.py:798]
{rank 0/64} MD step = 314400 step time: 00:00:00.167547 Performance: 65.404 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 17:21:36,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314400 62880 60.43 -32621 6623.2 -39244 -39244 -0.00047622 -0.00029525 -0.00061908 5.4853e+05 2024-05-08 17:21:52,421 INFO [main.py:798]
{rank 0/64} MD step = 314500 step time: 00:00:00.169239 Performance: 65.408 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 17:21:58,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314500 62900 59.612 -32702 6533.5 -39236 -39236 -0.00034288 -0.00041907 -0.00038097 5.4869e+05 2024-05-08 17:22:14,796 INFO [main.py:798]
{rank 0/64} MD step = 314600 step time: 00:00:00.167195 Performance: 65.411 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 17:22:22,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314600 62920 60.414 -32596 6621.4 -39217 -39217 -0.00040002 -0.00024763 -4.7622e-05 5.4891e+05 2024-05-08 17:22:37,416 INFO [main.py:798]
{rank 0/64} MD step = 314700 step time: 00:00:00.159809 Performance: 65.414 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 17:22:43,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314700 62940 59.689 -32638 6542 -39180 -39180 -9.5243e-05 -0.00061908 -0.00060956 5.4909e+05 2024-05-08 17:22:57,966 INFO [main.py:798]
{rank 0/64} MD step = 314800 step time: 00:00:00.147370 Performance: 65.419 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 17:23:04,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314800 62960 60.443 -32615 6624.6 -39240 -39240 -0.00049527 -0.00050479 -0.00059051 5.4925e+05 2024-05-08 17:23:23,538 INFO [main.py:798]
{rank 0/64} MD step = 314900 step time: 00:00:00.156741 Performance: 65.420 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 17:23:29,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314900 62980 59.249 -32550 6493.7 -39044 -39044 0.00013334 -0.00050479 -0.00062384 5.4945e+05 2024-05-08 17:23:45,614 INFO [main.py:798]
{rank 0/64} MD step = 315000 step time: 00:00:00.193255 Performance: 65.423 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 17:23:56,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315000 63000 60.346 -32599 6614 -39212 -39212 -0.00041907 -0.00053336 0.00011429 5.4962e+05 2024-05-08 17:24:12,406 INFO [main.py:798]
{rank 0/64} MD step = 315100 step time: 00:00:00.154711 Performance: 65.423 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 17:24:20,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315100 63020 59.42 -32544 6512.5 -39057 -39057 -0.00041907 -0.00060956 -0.00063813 5.4982e+05 2024-05-08 17:24:36,424 INFO [main.py:798]
{rank 0/64} MD step = 315200 step time: 00:00:00.158599 Performance: 65.425 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 17:24:42,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315200 63040 61.179 -32588 6705.3 -39294 -39294 -0.00026668 -0.00046669 -0.00055241 5.4996e+05 2024-05-08 17:24:58,496 INFO [main.py:798]
{rank 0/64} MD step = 315300 step time: 00:00:00.149099 Performance: 65.428 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 17:25:04,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315300 63060 59.864 -32734 6561.2 -39295 -39295 -0.00055241 -0.00059051 -0.00019049 5.5018e+05 2024-05-08 17:25:20,628 INFO [main.py:798]
{rank 0/64} MD step = 315400 step time: 00:00:00.157907 Performance: 65.431 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 17:25:26,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315400 63080 60.139 -32541 6591.4 -39132 -39132 -0.00040002 -0.00048574 -0.00047622 5.5036e+05 2024-05-08 17:25:41,999 INFO [main.py:798]
{rank 0/64} MD step = 315500 step time: 00:00:00.152473 Performance: 65.435 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 17:25:48,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315500 63100 58.905 -32738 6456 -39194 -39194 -0.00016191 -0.00047622 -0.00045717 5.5048e+05 2024-05-08 17:26:03,894 INFO [main.py:798]
{rank 0/64} MD step = 315600 step time: 00:00:00.148709 Performance: 65.439 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 17:26:11,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315600 63120 61.168 -32365 6704.1 -39069 -39069 -0.00022858 -0.00033335 -0.00020954 5.5069e+05 2024-05-08 17:26:27,990 INFO [main.py:798]
{rank 0/64} MD step = 315700 step time: 00:00:00.159374 Performance: 65.441 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 17:26:33,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315700 63140 60.328 -32393 6612.1 -39005 -39005 -0.00023811 -0.00045717 5.7146e-05 5.509e+05 2024-05-08 17:26:49,796 INFO [main.py:798]
{rank 0/64} MD step = 315800 step time: 00:00:00.155779 Performance: 65.444 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 17:26:55,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315800 63160 60.44 -32622 6624.3 -39247 -39247 -0.00038097 -0.00040002 -0.00051431 5.5103e+05 2024-05-08 17:27:10,979 INFO [main.py:798]
{rank 0/64} MD step = 315900 step time: 00:00:00.153574 Performance: 65.449 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:27:18,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315900 63180 59.567 -32645 6528.6 -39173 -39173 -0.00029525 -0.00026668 -0.00049527 5.5122e+05 2024-05-08 17:27:34,204 INFO [main.py:798]
{rank 0/64} MD step = 316000 step time: 00:00:00.150927 Performance: 65.451 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:27:41,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316000 63200 60.117 -32629 6588.9 -39218 -39218 0 -0.0003524 -0.00011905 5.514e+05 2024-05-08 17:27:58,787 INFO [main.py:798]
{rank 0/64} MD step = 316100 step time: 00:00:01.794919 Performance: 65.452 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:28:04,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316100 63220 60.439 -32529 6624.2 -39154 -39154 0.00019763 -0.00053336 -0.00014287 5.5156e+05 2024-05-08 17:28:21,274 INFO [main.py:798]
{rank 0/64} MD step = 316200 step time: 00:00:00.152723 Performance: 65.456 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:28:26,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316200 63240 60.739 -32575 6657 -39232 -39232 -0.00025716 -0.00030478 -0.0007048 5.5173e+05 2024-05-08 17:28:43,114 INFO [main.py:798]
{rank 0/64} MD step = 316300 step time: 00:00:00.156755 Performance: 65.459 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:28:50,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316300 63260 60.524 -32579 6633.5 -39212 -39212 -0.00038097 -0.00059051 -3.8097e-05 5.5191e+05 2024-05-08 17:29:05,928 INFO [main.py:798]
{rank 0/64} MD step = 316400 step time: 00:00:00.145011 Performance: 65.462 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:29:12,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316400 63280 60.337 -32496 6613 -39109 -39109 -0.00022858 -0.00043812 -0.00038097 5.5209e+05 2024-05-08 17:29:28,628 INFO [main.py:798]
{rank 0/64} MD step = 316500 step time: 00:00:00.137366 Performance: 65.465 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:29:44,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316500 63300 59.644 -32644 6537.1 -39181 -39181 -0.00049527 -0.00044288 -0.00030478 5.5226e+05 2024-05-08 17:30:02,363 INFO [main.py:798]
{rank 0/64} MD step = 316600 step time: 00:00:00.145465 Performance: 65.459 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:30:11,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316600 63320 59.857 -32579 6560.4 -39140 -39140 -0.00038097 -0.0003524 -0.00019049 5.5243e+05 2024-05-08 17:30:26,555 INFO [main.py:798]
{rank 0/64} MD step = 316700 step time: 00:00:00.155973 Performance: 65.461 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:30:34,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316700 63340 59.501 -32669 6521.4 -39190 -39190 -0.00022858 -0.00046193 -0.00010477 5.5263e+05 2024-05-08 17:30:50,554 INFO [main.py:798]
{rank 0/64} MD step = 316800 step time: 00:00:00.152844 Performance: 65.463 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 17:30:57,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316800 63360 59.948 -32469 6570.4 -39040 -39040 -0.00037145 -0.00034288 -0.00028573 5.5279e+05 2024-05-08 17:31:13,521 INFO [main.py:798]
{rank 0/64} MD step = 316900 step time: 00:00:00.151835 Performance: 65.465 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 17:31:17,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316900 63380 60.207 -32620 6598.8 -39219 -39219 -0.00051431 -0.00021906 -0.00047622 5.5295e+05 2024-05-08 17:31:35,257 INFO [main.py:798]
{rank 0/64} MD step = 317000 step time: 00:00:00.156982 Performance: 65.469 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 17:31:41,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317000 63400 59.955 -32581 6571.1 -39152 -39152 -0.00024763 -0.00029525 -0.00052384 5.5312e+05 2024-05-08 17:31:57,347 INFO [main.py:798]
{rank 0/64} MD step = 317100 step time: 00:00:00.154225 Performance: 65.472 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 17:32:03,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317100 63420 60.828 -32446 6666.8 -39112 -39112 -0.00049527 -0.00057146 -0.00010477 5.533e+05 2024-05-08 17:32:19,146 INFO [main.py:798]
{rank 0/64} MD step = 317200 step time: 00:00:00.149936 Performance: 65.476 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 17:32:27,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317200 63440 59.267 -32678 6495.7 -39174 -39174 -0.00034288 -0.00031907 -6.667e-05 5.5345e+05 2024-05-08 17:32:43,867 INFO [main.py:798]
{rank 0/64} MD step = 317300 step time: 00:00:00.158835 Performance: 65.477 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 17:32:53,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317300 63460 59.807 -32625 6554.9 -39180 -39180 -0.00030478 -0.00027621 -0.00043812 5.5363e+05 2024-05-08 17:33:09,099 INFO [main.py:798]
{rank 0/64} MD step = 317400 step time: 00:00:00.165552 Performance: 65.478 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 17:33:13,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317400 63480 59.448 -32721 6515.5 -39237 -39237 -0.00041907 -0.00015239 7.6195e-05 5.5378e+05 2024-05-08 17:33:31,078 INFO [main.py:798]
{rank 0/64} MD step = 317500 step time: 00:00:00.166224 Performance: 65.482 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 17:33:35,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317500 63500 59.949 -32570 6570.5 -39140 -39140 -0.00036193 -0.00033335 -0.00069528 5.5398e+05 2024-05-08 17:33:51,645 INFO [main.py:798]
{rank 0/64} MD step = 317600 step time: 00:00:00.157479 Performance: 65.486 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 17:33:57,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317600 63520 59.198 -32603 6488.1 -39091 -39091 -0.00028573 -0.00037383 5.7146e-05 5.5415e+05 2024-05-08 17:34:13,161 INFO [main.py:798]
{rank 0/64} MD step = 317700 step time: 00:00:00.159285 Performance: 65.490 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 17:34:20,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317700 63540 60.792 -32469 6662.9 -39132 -39132 0.00012382 -0.00045241 -0.00055241 5.543e+05 2024-05-08 17:34:35,879 INFO [main.py:798]
{rank 0/64} MD step = 317800 step time: 00:00:00.159169 Performance: 65.493 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 17:34:41,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317800 63560 60.647 -32490 6647 -39137 -39137 -0.00015239 -0.00040955 -0.00036193 5.5448e+05 2024-05-08 17:34:57,484 INFO [main.py:798]
{rank 0/64} MD step = 317900 step time: 00:00:00.159468 Performance: 65.497 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 17:35:02,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317900 63580 60.494 -32464 6630.2 -39094 -39094 -0.00023811 -0.00047146 -0.0007429 5.5464e+05 2024-05-08 17:35:18,884 INFO [main.py:798]
{rank 0/64} MD step = 318000 step time: 00:00:00.158850 Performance: 65.500 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 17:35:24,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318000 63600 59.723 -32674 6545.8 -39220 -39220 -0.00026668 -0.00020001 -0.00030478 5.5479e+05 2024-05-08 17:35:40,156 INFO [main.py:798]
{rank 0/64} MD step = 318100 step time: 00:00:00.157786 Performance: 65.504 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 17:35:45,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318100 63620 60.027 -32561 6579 -39140 -39140 -0.00041907 -0.00028573 -7.6195e-05 5.5498e+05 2024-05-08 17:36:01,960 INFO [main.py:798]
{rank 0/64} MD step = 318200 step time: 00:00:00.153784 Performance: 65.508 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 17:36:07,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318200 63640 59.251 -32734 6494 -39228 -39228 -0.00022858 -0.00028573 -0.00018096 5.5513e+05 2024-05-08 17:36:23,600 INFO [main.py:798]
{rank 0/64} MD step = 318300 step time: 00:00:00.154897 Performance: 65.512 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 17:36:30,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318300 63660 60.409 -32483 6620.9 -39104 -39104 -0.00040002 -0.00049527 -0.00068099 5.5533e+05 2024-05-08 17:36:46,377 INFO [main.py:798]
{rank 0/64} MD step = 318400 step time: 00:00:00.146821 Performance: 65.514 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 17:36:52,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318400 63680 59.964 -32567 6572.2 -39139 -39139 -0.0003905 -0.00052384 -0.00050479 5.5549e+05 2024-05-08 17:37:08,954 INFO [main.py:798]
{rank 0/64} MD step = 318500 step time: 00:00:00.156549 Performance: 65.517 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 17:37:14,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318500 63700 59.581 -32595 6530.2 -39125 -39125 -0.00030478 -0.00051431 -0.00041907 5.5568e+05 2024-05-08 17:37:36,031 INFO [main.py:798]
{rank 0/64} MD step = 318600 step time: 00:00:00.168583 Performance: 65.517 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 17:37:44,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318600 63720 60.302 -32681 6609.1 -39290 -39290 -0.0003905 0 -0.00064766 5.5583e+05 2024-05-08 17:38:00,596 INFO [main.py:798]
{rank 0/64} MD step = 318700 step time: 00:00:00.153550 Performance: 65.518 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 17:38:07,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318700 63740 59.91 -32507 6566.2 -39073 -39073 -0.00034288 -0.00076195 -0.00066194 5.5603e+05 2024-05-08 17:38:24,020 INFO [main.py:798]
{rank 0/64} MD step = 318800 step time: 00:00:00.145289 Performance: 65.521 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 17:38:32,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318800 63760 59.509 -32617 6522.2 -39139 -39139 -0.00017144 -0.00028573 -0.00022858 5.5622e+05 2024-05-08 17:38:49,464 INFO [main.py:798]
{rank 0/64} MD step = 318900 step time: 00:00:00.159037 Performance: 65.521 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 17:38:55,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318900 63780 61.206 -32480 6708.3 -39188 -39188 -0.0004286 -0.00049527 1.9049e-05 5.5637e+05 2024-05-08 17:39:11,290 INFO [main.py:798]
{rank 0/64} MD step = 319000 step time: 00:00:00.151995 Performance: 65.525 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 17:39:18,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319000 63800 60.46 -32572 6626.4 -39198 -39198 -0.00032383 9.5243e-06 -0.00048098 5.5653e+05 2024-05-08 17:39:35,303 INFO [main.py:798]
{rank 0/64} MD step = 319100 step time: 00:00:00.164850 Performance: 65.527 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 17:39:41,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319100 63820 59.332 -32761 6502.9 -39264 -39264 -0.0003524 -0.00026668 -1.4287e-05 5.567e+05 2024-05-08 17:39:57,623 INFO [main.py:798]
{rank 0/64} MD step = 319200 step time: 00:00:00.159696 Performance: 65.530 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 17:40:03,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319200 63840 59.064 -32717 6473.5 -39191 -39191 -0.00040002 -0.00045717 -0.00038097 5.5689e+05 2024-05-08 17:40:19,469 INFO [main.py:798]
{rank 0/64} MD step = 319300 step time: 00:00:00.155121 Performance: 65.533 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 17:40:27,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319300 63860 59.336 -32653 6503.3 -39156 -39156 -0.00026668 -0.00043336 -0.00061908 5.5705e+05 2024-05-08 17:40:43,636 INFO [main.py:798]
{rank 0/64} MD step = 319400 step time: 00:00:00.155952 Performance: 65.535 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 17:40:50,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319400 63880 60.013 -32533 6577.5 -39110 -39110 -0.00043812 -0.0003143 -0.00053336 5.5723e+05 2024-05-08 17:41:06,324 INFO [main.py:798]
{rank 0/64} MD step = 319500 step time: 00:00:00.151259 Performance: 65.538 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 17:41:13,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319500 63900 60.002 -32577 6576.2 -39154 -39154 -9.5243e-05 -0.00057622 -0.00064766 5.574e+05 2024-05-08 17:41:29,866 INFO [main.py:798]
{rank 0/64} MD step = 319600 step time: 00:00:00.154408 Performance: 65.540 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 17:41:38,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319600 63920 60.379 -32497 6617.6 -39114 -39114 -0.00022858 -0.00032383 5.7146e-05 5.5762e+05 2024-05-08 17:41:54,124 INFO [main.py:798]
{rank 0/64} MD step = 319700 step time: 00:00:00.159032 Performance: 65.542 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 17:42:00,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319700 63940 60.629 -32539 6645 -39184 -39184 -0.00020954 -0.00034288 -0.00037145 5.5777e+05 2024-05-08 17:42:15,942 INFO [main.py:798]
{rank 0/64} MD step = 319800 step time: 00:00:00.152118 Performance: 65.545 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 17:42:21,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319800 63960 59.808 -32701 6555.1 -39256 -39256 -0.00020954 -0.00036193 -0.00041907 5.5793e+05 2024-05-08 17:42:37,830 INFO [main.py:798]
{rank 0/64} MD step = 319900 step time: 00:00:00.159693 Performance: 65.549 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 17:42:43,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319900 63980 59.666 -32550 6539.5 -39090 -39090 -0.00038097 -0.00045717 -0.00060956 5.5814e+05 2024-05-08 17:42:59,985 INFO [main.py:798]
{rank 0/64} MD step = 320000 step time: 00:00:00.159304 Performance: 65.552 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 17:43:04,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320000 64000 60.7 -32522 6652.8 -39175 -39175 -0.00017144 -0.00030478 -0.00058099 5.5828e+05 2024-05-08 17:43:22,450 INFO [main.py:798]
{rank 0/64} MD step = 320100 step time: 00:00:00.154521 Performance: 65.555 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 17:43:31,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320100 64020 60.984 -32438 6683.9 -39122 -39122 -0.00038097 2.8573e-05 -0.00043812 5.5845e+05 2024-05-08 17:43:48,356 INFO [main.py:798]
{rank 0/64} MD step = 320200 step time: 00:00:00.179598 Performance: 65.555 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 17:43:54,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320200 64040 60.186 -32596 6596.4 -39193 -39193 -0.00017144 -0.00041907 -0.00044764 5.586e+05 2024-05-08 17:44:09,755 INFO [main.py:798]
{rank 0/64} MD step = 320300 step time: 00:00:00.153612 Performance: 65.559 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 17:44:17,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320300 64060 59.901 -32598 6565.2 -39164 -39164 -0.0003524 -0.0005667 -0.00045717 5.5878e+05 2024-05-08 17:44:33,028 INFO [main.py:798]
{rank 0/64} MD step = 320400 step time: 00:00:00.160816 Performance: 65.562 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 17:44:40,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320400 64080 60.336 -32614 6612.9 -39227 -39227 0.00019049 -0.00046669 -0.00062861 5.5895e+05 2024-05-08 17:44:55,937 INFO [main.py:798]
{rank 0/64} MD step = 320500 step time: 00:00:00.155066 Performance: 65.564 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 17:45:02,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320500 64100 60.174 -32597 6595.1 -39192 -39192 -0.00030478 -0.00060956 -0.00018096 5.5912e+05 2024-05-08 17:45:18,122 INFO [main.py:798]
{rank 0/64} MD step = 320600 step time: 00:00:00.158107 Performance: 65.568 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 17:45:23,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320600 64120 60.422 -32500 6622.3 -39122 -39122 -0.00019049 -0.00032383 -0.00011429 5.593e+05 2024-05-08 17:45:39,279 INFO [main.py:798]
{rank 0/64} MD step = 320700 step time: 00:00:00.148393 Performance: 65.572 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 17:45:46,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320700 64140 60.197 -32586 6597.6 -39184 -39184 -0.00036193 -0.00060956 -0.00075242 5.5949e+05 2024-05-08 17:46:01,839 INFO [main.py:798]
{rank 0/64} MD step = 320800 step time: 00:00:00.157116 Performance: 65.575 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 17:46:09,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320800 64160 59.312 -32690 6500.6 -39190 -39190 -0.00045717 -0.00030478 -0.0006667 5.5966e+05 2024-05-08 17:46:24,924 INFO [main.py:798]
{rank 0/64} MD step = 320900 step time: 00:00:00.153947 Performance: 65.577 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 17:46:28,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320900 64180 59.786 -32483 6552.6 -39035 -39035 -0.00045717 -0.00059051 -0.00040002 5.5986e+05 2024-05-08 17:46:46,471 INFO [main.py:798]
{rank 0/64} MD step = 321000 step time: 00:00:00.155277 Performance: 65.581 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 17:46:53,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321000 64200 59.751 -32590 6548.8 -39139 -39139 -0.00030478 -0.00060956 -0.00055241 5.6e+05 2024-05-08 17:47:09,254 INFO [main.py:798]
{rank 0/64} MD step = 321100 step time: 00:00:00.163178 Performance: 65.584 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 17:47:15,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321100 64220 59.847 -32572 6559.3 -39131 -39131 -0.00041907 -0.00041907 -0.00040002 5.602e+05 2024-05-08 17:47:30,947 INFO [main.py:798]
{rank 0/64} MD step = 321200 step time: 00:00:00.154424 Performance: 65.587 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 17:47:38,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321200 64240 60.782 -32506 6661.8 -39168 -39168 -0.00015239 -0.00038097 -0.00055241 5.6037e+05 2024-05-08 17:47:54,331 INFO [main.py:798]
{rank 0/64} MD step = 321300 step time: 00:00:00.154591 Performance: 65.590 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 17:48:05,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321300 64260 59.518 -32618 6523.3 -39141 -39141 -0.00032383 -0.00071433 -0.00053336 5.6053e+05 2024-05-08 17:48:26,110 INFO [main.py:798]
{rank 0/64} MD step = 321400 step time: 00:00:00.152895 Performance: 65.585 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 17:48:32,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321400 64280 60.482 -32396 6628.9 -39025 -39025 -0.00024763 -0.00022858 -0.00067147 5.6076e+05 2024-05-08 17:48:48,876 INFO [main.py:798]
{rank 0/64} MD step = 321500 step time: 00:00:00.154212 Performance: 65.588 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 17:48:54,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321500 64300 59.562 -32537 6528.1 -39065 -39065 -0.00015239 -0.00040002 -0.00048574 5.6093e+05 2024-05-08 17:49:11,437 INFO [main.py:798]
{rank 0/64} MD step = 321600 step time: 00:00:00.164483 Performance: 65.591 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 17:49:19,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321600 64320 59.895 -32579 6564.5 -39143 -39143 -0.00041907 -0.00041907 2.8573e-05 5.6107e+05 2024-05-08 17:49:34,895 INFO [main.py:798]
{rank 0/64} MD step = 321700 step time: 00:00:00.164754 Performance: 65.593 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 17:49:40,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321700 64340 59.68 -32660 6541 -39201 -39201 -0.00033335 -0.00026668 -0.00038097 5.6125e+05 2024-05-08 17:49:57,007 INFO [main.py:798]
{rank 0/64} MD step = 321800 step time: 00:00:00.159736 Performance: 65.597 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 17:50:03,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321800 64360 59.935 -32574 6568.9 -39143 -39143 -0.00049527 -0.00041907 -0.00038097 5.6143e+05 2024-05-08 17:50:19,626 INFO [main.py:798]
{rank 0/64} MD step = 321900 step time: 00:00:00.165295 Performance: 65.599 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 17:50:25,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321900 64380 59.556 -32573 6527.4 -39101 -39101 -0.00038097 -0.00030478 -0.00026668 5.6159e+05 2024-05-08 17:50:41,478 INFO [main.py:798]
{rank 0/64} MD step = 322000 step time: 00:00:00.171026 Performance: 65.603 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 17:50:47,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322000 64400 60.332 -32389 6612.5 -39001 -39001 -0.00026668 -0.00028573 -0.00057146 5.618e+05 2024-05-08 17:51:03,254 INFO [main.py:798]
{rank 0/64} MD step = 322100 step time: 00:00:00.163973 Performance: 65.606 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 17:51:12,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322100 64420 59.537 -32549 6525.4 -39075 -39075 -0.00049527 -0.00040955 -0.00044764 5.6193e+05 2024-05-08 17:51:29,119 INFO [main.py:798]
{rank 0/64} MD step = 322200 step time: 00:00:00.159089 Performance: 65.607 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 17:51:35,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322200 64440 59.345 -32580 6504.3 -39084 -39084 3.3335e-05 -0.00015239 3.8097e-05 5.6208e+05 2024-05-08 17:51:51,610 INFO [main.py:798]
{rank 0/64} MD step = 322300 step time: 00:00:00.159829 Performance: 65.610 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 17:52:00,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322300 64460 59.215 -32552 6490.1 -39042 -39042 -0.00019049 -0.00051431 -0.0007048 5.6225e+05 2024-05-08 17:52:16,307 INFO [main.py:798]
{rank 0/64} MD step = 322400 step time: 00:00:00.158976 Performance: 65.611 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 17:52:22,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322400 64480 59.603 -32544 6532.5 -39076 -39076 -0.00018096 -0.00028573 -0.00020954 5.6243e+05 2024-05-08 17:52:38,323 INFO [main.py:798]
{rank 0/64} MD step = 322500 step time: 00:00:00.166355 Performance: 65.614 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 17:52:43,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322500 64500 59.911 -32444 6566.4 -39010 -39010 -0.00030478 -0.00055241 -0.00040002 5.626e+05 2024-05-08 17:52:59,157 INFO [main.py:798]
{rank 0/64} MD step = 322600 step time: 00:00:00.165409 Performance: 65.619 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 17:53:03,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322600 64520 59.853 -32627 6559.9 -39187 -39187 0.00021906 -0.00060956 -0.00055241 5.6274e+05 2024-05-08 17:53:20,201 INFO [main.py:798]
{rank 0/64} MD step = 322700 step time: 00:00:00.172823 Performance: 65.623 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 17:53:27,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322700 64540 60.745 -32500 6657.8 -39158 -39158 7.6195e-05 -0.00053336 -0.00068575 5.6294e+05 2024-05-08 17:53:44,267 INFO [main.py:798]
{rank 0/64} MD step = 322800 step time: 00:00:00.172039 Performance: 65.624 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 17:53:51,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322800 64560 59.758 -32550 6549.5 -39100 -39100 -0.00037621 -0.00074766 -0.00038097 5.6312e+05 2024-05-08 17:54:07,322 INFO [main.py:798]
{rank 0/64} MD step = 322900 step time: 00:00:00.157760 Performance: 65.627 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 17:54:12,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322900 64580 59.719 -32555 6545.3 -39101 -39101 -0.00036193 -0.00061908 -0.00062861 5.6327e+05 2024-05-08 17:54:30,598 INFO [main.py:798]
{rank 0/64} MD step = 323000 step time: 00:00:00.173331 Performance: 65.629 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 17:54:36,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323000 64600 59.551 -32658 6526.8 -39184 -39184 -0.00045717 -0.00054289 -0.00030478 5.6349e+05 2024-05-08 17:54:52,531 INFO [main.py:798]
{rank 0/64} MD step = 323100 step time: 00:00:00.170961 Performance: 65.633 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 17:54:57,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323100 64620 60.218 -32581 6599.9 -39181 -39181 -0.00011429 -0.00040002 -0.00020001 5.6366e+05 2024-05-08 17:55:13,784 INFO [main.py:798]
{rank 0/64} MD step = 323200 step time: 00:00:00.165445 Performance: 65.637 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 17:55:20,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323200 64640 60.047 -32629 6581.3 -39211 -39211 -0.00022858 -0.00053336 -0.00052384 5.6383e+05 2024-05-08 17:55:36,359 INFO [main.py:798]
{rank 0/64} MD step = 323300 step time: 00:00:00.156293 Performance: 65.640 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 17:55:45,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323300 64660 59.215 -32730 6490 -39220 -39220 -0.00038097 -0.00026668 -0.00058099 5.64e+05 2024-05-08 17:56:01,212 INFO [main.py:798]
{rank 0/64} MD step = 323400 step time: 00:00:00.158051 Performance: 65.641 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 17:56:08,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323400 64680 59.6 -32557 6532.2 -39089 -39089 -3.8097e-05 -0.00058099 0.00011429 5.642e+05 2024-05-08 17:56:23,898 INFO [main.py:798]
{rank 0/64} MD step = 323500 step time: 00:00:00.151301 Performance: 65.643 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 17:56:30,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323500 64700 60.484 -32659 6629.1 -39288 -39288 -0.00024287 -0.0004286 -0.00057146 5.6434e+05 2024-05-08 17:56:45,969 INFO [main.py:798]
{rank 0/64} MD step = 323600 step time: 00:00:00.147336 Performance: 65.647 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 17:56:51,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323600 64720 59.372 -32563 6507.2 -39070 -39070 -0.00043812 -0.00036193 -0.00034288 5.6454e+05 2024-05-08 17:57:07,711 INFO [main.py:798]
{rank 0/64} MD step = 323700 step time: 00:00:00.161280 Performance: 65.650 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 17:57:12,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323700 64740 60.397 -32555 6619.6 -39174 -39174 -0.00041907 -0.00036193 -0.00055241 5.6468e+05 2024-05-08 17:57:28,805 INFO [main.py:798]
{rank 0/64} MD step = 323800 step time: 00:00:00.161939 Performance: 65.654 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 17:57:33,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323800 64760 60.757 -32490 6659 -39149 -39149 -0.00024763 -0.00022858 -7.6195e-05 5.6485e+05 2024-05-08 17:57:50,576 INFO [main.py:798]
{rank 0/64} MD step = 323900 step time: 00:00:00.158216 Performance: 65.658 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 17:57:57,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323900 64780 60.737 -32467 6656.9 -39123 -39123 -0.00038097 -0.00026668 -0.00011429 5.6507e+05 2024-05-08 17:58:13,091 INFO [main.py:798]
{rank 0/64} MD step = 324000 step time: 00:00:00.161900 Performance: 65.661 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 17:58:19,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324000 64800 59.227 -32679 6491.3 -39170 -39170 -0.00036193 -0.00057146 -0.00047622 5.6522e+05 2024-05-08 17:58:34,958 INFO [main.py:798]
{rank 0/64} MD step = 324100 step time: 00:00:00.162066 Performance: 65.664 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 17:58:43,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324100 64820 60.476 -32556 6628.3 -39184 -39184 -0.00047622 -0.00030478 -0.00013334 5.6539e+05 2024-05-08 17:58:59,413 INFO [main.py:798]
{rank 0/64} MD step = 324200 step time: 00:00:00.151772 Performance: 65.666 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 17:59:05,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324200 64840 59.912 -32617 6566.5 -39183 -39183 -0.00048574 -0.00041907 -0.00044764 5.6557e+05 2024-05-08 17:59:21,123 INFO [main.py:798]
{rank 0/64} MD step = 324300 step time: 00:00:00.157222 Performance: 65.669 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 17:59:27,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324300 64860 59.156 -32773 6483.5 -39257 -39257 -0.00013334 -0.00040002 -7.6195e-05 5.6574e+05 2024-05-08 17:59:43,604 INFO [main.py:798]
{rank 0/64} MD step = 324400 step time: 00:00:00.163542 Performance: 65.672 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 17:59:50,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324400 64880 60.531 -32476 6634.3 -39111 -39111 -0.00032383 -0.00047622 -0.00029525 5.6593e+05 2024-05-08 18:00:05,656 INFO [main.py:798]
{rank 0/64} MD step = 324500 step time: 00:00:00.181571 Performance: 65.675 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 18:00:11,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324500 64900 60.846 -32405 6668.8 -39074 -39074 -0.00032383 -0.00060956 -0.00010001 5.6611e+05 2024-05-08 18:00:27,945 INFO [main.py:798]
{rank 0/64} MD step = 324600 step time: 00:00:00.155017 Performance: 65.678 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 18:00:34,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324600 64920 60.239 -32510 6602.3 -39112 -39112 0.00013334 -0.00046669 -0.00059527 5.6624e+05 2024-05-08 18:00:50,797 INFO [main.py:798]
{rank 0/64} MD step = 324700 step time: 00:00:00.146291 Performance: 65.681 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 18:01:07,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324700 64940 60.484 -32483 6629.1 -39112 -39112 -0.00057146 -0.00064766 -0.00057146 5.6643e+05 2024-05-08 18:01:24,037 INFO [main.py:798]
{rank 0/64} MD step = 324800 step time: 00:00:00.163415 Performance: 65.676 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 18:01:31,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324800 64960 59.827 -32681 6557.1 -39238 -39238 -0.00026668 -0.00044764 -0.00022858 5.6659e+05 2024-05-08 18:01:46,931 INFO [main.py:798]
{rank 0/64} MD step = 324900 step time: 00:00:00.165609 Performance: 65.678 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 18:01:52,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324900 64980 60.461 -32431 6626.6 -39058 -39058 -0.00041907 -0.00058099 -0.00026668 5.6678e+05 2024-05-08 18:02:08,439 INFO [main.py:798]
{rank 0/64} MD step = 325000 step time: 00:00:00.167090 Performance: 65.682 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 18:02:14,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325000 65000 59.602 -32602 6532.4 -39135 -39135 -0.00040002 -0.00060003 -0.00045717 5.6697e+05 2024-05-08 18:02:29,994 INFO [main.py:798]
{rank 0/64} MD step = 325100 step time: 00:00:00.156429 Performance: 65.686 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 18:02:34,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325100 65020 59.981 -32497 6574 -39071 -39071 -0.00047622 -0.00045717 -0.00046669 5.6716e+05 2024-05-08 18:02:52,708 INFO [main.py:798]
{rank 0/64} MD step = 325200 step time: 00:00:00.158299 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 18:02:58,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325200 65040 60.262 -32509 6604.8 -39114 -39114 -0.00051431 -0.00041907 -0.00047622 5.6732e+05 2024-05-08 18:03:15,194 INFO [main.py:798]
{rank 0/64} MD step = 325300 step time: 00:00:00.162300 Performance: 65.691 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:03:22,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325300 65060 60.021 -32539 6578.4 -39118 -39118 -0.00038097 -0.00045717 -0.00018096 5.6752e+05 2024-05-08 18:03:39,033 INFO [main.py:798]
{rank 0/64} MD step = 325400 step time: 00:00:00.161492 Performance: 65.693 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:03:45,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325400 65080 59.353 -32605 6505.1 -39110 -39110 -0.00033811 -0.00051431 -5.7146e-05 5.6768e+05 2024-05-08 18:04:00,908 INFO [main.py:798]
{rank 0/64} MD step = 325500 step time: 00:00:00.153993 Performance: 65.697 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:04:11,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325500 65100 59.816 -32600 6555.9 -39156 -39156 -0.00043812 -0.00060956 -0.00053336 5.6786e+05 2024-05-08 18:04:27,674 INFO [main.py:798]
{rank 0/64} MD step = 325600 step time: 00:00:00.159296 Performance: 65.696 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:04:33,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325600 65120 60.46 -32517 6626.5 -39143 -39143 -0.00043812 -0.00057146 -0.00051431 5.6801e+05 2024-05-08 18:04:49,556 INFO [main.py:798]
{rank 0/64} MD step = 325700 step time: 00:00:00.159966 Performance: 65.700 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:04:55,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325700 65140 59.732 -32625 6546.7 -39171 -39171 -0.00023811 -0.00030478 -0.00030478 5.682e+05 2024-05-08 18:05:11,063 INFO [main.py:798]
{rank 0/64} MD step = 325800 step time: 00:00:00.162647 Performance: 65.703 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:05:18,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325800 65160 59.51 -32616 6522.4 -39139 -39139 -0.00049527 -0.00046193 -0.00047146 5.6839e+05 2024-05-08 18:05:34,386 INFO [main.py:798]
{rank 0/64} MD step = 325900 step time: 00:00:00.158788 Performance: 65.706 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:05:41,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325900 65180 60.416 -32537 6621.7 -39159 -39159 -0.00019049 -0.0003143 -0.00062861 5.6859e+05 2024-05-08 18:05:56,720 INFO [main.py:798]
{rank 0/64} MD step = 326000 step time: 00:00:00.163805 Performance: 65.709 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:06:10,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326000 65200 60.351 -32427 6614.6 -39042 -39042 -0.00033335 -0.00022858 -0.00033335 5.6877e+05 2024-05-08 18:06:26,106 INFO [main.py:798]
{rank 0/64} MD step = 326100 step time: 00:00:00.161121 Performance: 65.706 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:06:35,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326100 65220 60.158 -32557 6593.4 -39150 -39150 -0.00024763 -0.00058099 -0.00057146 5.6894e+05 2024-05-08 18:06:51,022 INFO [main.py:798]
{rank 0/64} MD step = 326200 step time: 00:00:00.153160 Performance: 65.707 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:07:00,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326200 65240 59.109 -32634 6478.4 -39113 -39113 -0.00030478 -0.0003905 -1.4287e-05 5.6913e+05 2024-05-08 18:07:16,222 INFO [main.py:798]
{rank 0/64} MD step = 326300 step time: 00:00:00.153261 Performance: 65.708 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:07:23,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326300 65260 59.897 -32564 6564.8 -39129 -39129 -5.7146e-05 -0.00030002 -0.00038097 5.6929e+05 2024-05-08 18:07:39,764 INFO [main.py:798]
{rank 0/64} MD step = 326400 step time: 00:00:00.169806 Performance: 65.710 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:07:53,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326400 65280 60.509 -32543 6631.8 -39175 -39175 -0.00034288 -0.00058099 -0.00055241 5.6945e+05 2024-05-08 18:08:10,370 INFO [main.py:798]
{rank 0/64} MD step = 326500 step time: 00:00:00.147318 Performance: 65.707 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 18:08:16,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326500 65300 61.044 -32535 6690.5 -39225 -39225 -0.00032383 -0.00064766 -0.00041907 5.6961e+05 2024-05-08 18:08:32,187 INFO [main.py:798]
{rank 0/64} MD step = 326600 step time: 00:00:00.153524 Performance: 65.711 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:08:37,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326600 65320 59.95 -32592 6570.6 -39163 -39163 -0.00031907 -0.0007429 -0.00062861 5.6984e+05 2024-05-08 18:08:53,637 INFO [main.py:798]
{rank 0/64} MD step = 326700 step time: 00:00:00.143573 Performance: 65.714 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:08:59,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326700 65340 59.382 -32658 6508.3 -39166 -39166 -0.00045717 -0.00041907 -0.00040002 5.7003e+05 2024-05-08 18:09:17,707 INFO [main.py:798]
{rank 0/64} MD step = 326800 step time: 00:00:00.156067 Performance: 65.716 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:09:25,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326800 65360 60.371 -32378 6616.7 -38994 -38994 0.00021906 -0.00057146 -9.5243e-05 5.7024e+05 2024-05-08 18:09:43,599 INFO [main.py:798]
{rank 0/64} MD step = 326900 step time: 00:00:00.140398 Performance: 65.716 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:09:54,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326900 65380 60.062 -32494 6582.8 -39077 -39077 -0.00046669 -0.00083814 -4.7622e-05 5.704e+05 2024-05-08 18:10:11,221 INFO [main.py:798]
{rank 0/64} MD step = 327000 step time: 00:00:00.151627 Performance: 65.715 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:10:16,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327000 65400 59.746 -32457 6548.2 -39005 -39005 -0.00018572 -0.00040478 -0.00040002 5.7057e+05 2024-05-08 18:10:32,858 INFO [main.py:798]
{rank 0/64} MD step = 327100 step time: 00:00:00.153562 Performance: 65.719 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:10:38,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327100 65420 60.853 -32509 6669.5 -39178 -39178 -0.00042383 -0.00034288 -0.00037145 5.7073e+05 2024-05-08 18:10:54,072 INFO [main.py:798]
{rank 0/64} MD step = 327200 step time: 00:00:00.148996 Performance: 65.723 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 18:10:59,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327200 65440 60.216 -32505 6599.8 -39105 -39105 -0.00034288 -0.00038097 4.7622e-05 5.7095e+05 2024-05-08 18:11:16,182 INFO [main.py:798]
{rank 0/64} MD step = 327300 step time: 00:00:00.159442 Performance: 65.726 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 18:11:22,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327300 65460 59.645 -32738 6537.1 -39276 -39276 -0.00043812 -0.00041907 -1.9049e-05 5.7111e+05 2024-05-08 18:11:38,492 INFO [main.py:798]
{rank 0/64} MD step = 327400 step time: 00:00:00.157948 Performance: 65.729 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 18:11:44,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327400 65480 59.192 -32809 6487.5 -39296 -39296 -0.00019049 -0.00057146 -0.00053336 5.7125e+05 2024-05-08 18:12:00,330 INFO [main.py:798]
{rank 0/64} MD step = 327500 step time: 00:00:00.155967 Performance: 65.732 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 18:12:06,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327500 65500 59.589 -32568 6531 -39099 -39099 -0.00032383 -0.00048098 -0.0007048 5.715e+05 2024-05-08 18:12:22,789 INFO [main.py:798]
{rank 0/64} MD step = 327600 step time: 00:00:00.159979 Performance: 65.735 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 18:12:27,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327600 65520 59.464 -32481 6517.3 -38998 -38998 -0.00038097 5.7146e-05 -0.00020954 5.7169e+05 2024-05-08 18:12:43,383 INFO [main.py:798]
{rank 0/64} MD step = 327700 step time: 00:00:00.155821 Performance: 65.740 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 18:12:50,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327700 65540 60.759 -32565 6659.3 -39224 -39224 -0.00030478 -0.00049527 -0.00049527 5.7183e+05 2024-05-08 18:13:06,920 INFO [main.py:798]
{rank 0/64} MD step = 327800 step time: 00:00:00.151088 Performance: 65.742 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 18:13:12,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327800 65560 60.043 -32693 6580.8 -39274 -39274 -0.00045717 -0.00047622 -0.00059051 5.72e+05 2024-05-08 18:13:28,972 INFO [main.py:798]
{rank 0/64} MD step = 327900 step time: 00:00:00.141940 Performance: 65.745 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 18:13:37,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327900 65580 59.507 -32485 6522 -39007 -39007 -0.00022858 -0.0004286 1.9049e-05 5.7222e+05 2024-05-08 18:13:52,751 INFO [main.py:798]
{rank 0/64} MD step = 328000 step time: 00:00:00.164202 Performance: 65.747 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 18:13:59,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328000 65600 60.048 -32580 6581.4 -39161 -39161 -0.00036193 -0.00037145 -0.00026668 5.7238e+05 2024-05-08 18:14:15,481 INFO [main.py:798]
{rank 0/64} MD step = 328100 step time: 00:00:00.176436 Performance: 65.750 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 18:14:18,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328100 65620 60.537 -32472 6635 -39107 -39107 -0.0005667 -0.00043812 -0.0006667 5.7257e+05 2024-05-08 18:14:36,401 INFO [main.py:798]
{rank 0/64} MD step = 328200 step time: 00:00:00.165034 Performance: 65.754 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 18:14:44,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328200 65640 59.42 -32540 6512.5 -39053 -39053 -0.00032383 -0.00073337 -0.00053336 5.7275e+05 2024-05-08 18:14:59,604 INFO [main.py:798]
{rank 0/64} MD step = 328300 step time: 00:00:00.161349 Performance: 65.756 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 18:15:06,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328300 65660 59.902 -32658 6565.3 -39224 -39224 -0.00041907 -0.00043812 -0.00045717 5.7291e+05 2024-05-08 18:15:21,674 INFO [main.py:798]
{rank 0/64} MD step = 328400 step time: 00:00:00.160492 Performance: 65.759 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:15:30,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328400 65680 60.317 -32693 6610.8 -39304 -39304 -0.00040955 -0.00034764 -0.00055241 5.7308e+05 2024-05-08 18:15:45,952 INFO [main.py:798]
{rank 0/64} MD step = 328500 step time: 00:00:00.166330 Performance: 65.761 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:15:53,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328500 65700 60.38 -32530 6617.8 -39147 -39147 -0.00040955 -0.00023811 -0.00054289 5.7326e+05 2024-05-08 18:16:08,908 INFO [main.py:798]
{rank 0/64} MD step = 328600 step time: 00:00:00.167772 Performance: 65.763 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:16:15,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328600 65720 60.199 -32488 6597.8 -39086 -39086 -0.00024287 -0.00037145 -0.00022858 5.7342e+05 2024-05-08 18:16:30,497 INFO [main.py:798]
{rank 0/64} MD step = 328700 step time: 00:00:00.158595 Performance: 65.767 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:16:46,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328700 65740 60.244 -32464 6602.8 -39067 -39067 -0.00036193 -0.00044764 -0.00062861 5.7361e+05 2024-05-08 18:17:02,038 INFO [main.py:798]
{rank 0/64} MD step = 328800 step time: 00:00:00.166479 Performance: 65.763 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:17:08,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328800 65760 59.428 -32694 6513.4 -39208 -39208 -0.00030478 -0.00022858 -0.00012382 5.7375e+05 2024-05-08 18:17:24,298 INFO [main.py:798]
{rank 0/64} MD step = 328900 step time: 00:00:00.155130 Performance: 65.766 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:17:29,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328900 65780 59.493 -32704 6520.5 -39224 -39224 -0.00028573 -0.00041907 -0.00068575 5.7391e+05 2024-05-08 18:17:45,068 INFO [main.py:798]
{rank 0/64} MD step = 329000 step time: 00:00:00.154868 Performance: 65.770 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:17:51,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329000 65800 60.709 -32424 6653.8 -39078 -39078 -0.00030478 -0.00041907 -0.00050003 5.7413e+05 2024-05-08 18:18:08,970 INFO [main.py:798]
{rank 0/64} MD step = 329100 step time: 00:00:00.148487 Performance: 65.772 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:18:14,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329100 65820 59.989 -32596 6574.9 -39171 -39171 -0.00043812 -0.00038097 2.8573e-05 5.7427e+05 2024-05-08 18:18:30,616 INFO [main.py:798]
{rank 0/64} MD step = 329200 step time: 00:00:00.164107 Performance: 65.775 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:18:36,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329200 65840 59.419 -32771 6512.4 -39283 -39283 -1.9049e-05 -0.00049527 -0.00015239 5.744e+05 2024-05-08 18:18:52,820 INFO [main.py:798]
{rank 0/64} MD step = 329300 step time: 00:00:00.162536 Performance: 65.778 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 18:19:16,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329300 65860 59.733 -32625 6546.8 -39172 -39172 -0.00047622 -0.00052384 -0.00057146 5.7458e+05 2024-05-08 18:19:31,011 INFO [main.py:798]
{rank 0/64} MD step = 329400 step time: 00:00:00.159379 Performance: 65.769 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:19:42,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329400 65880 60.134 -32512 6590.8 -39103 -39103 -0.00015239 -0.00043812 -0.00072385 5.7476e+05 2024-05-08 18:19:58,379 INFO [main.py:798]
{rank 0/64} MD step = 329500 step time: 00:00:00.167660 Performance: 65.769 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:20:05,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329500 65900 60.674 -32374 6649.9 -39024 -39024 0.0004286 -0.00033335 -0.00012382 5.7497e+05 2024-05-08 18:20:21,054 INFO [main.py:798]
{rank 0/64} MD step = 329600 step time: 00:00:00.166947 Performance: 65.771 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:20:30,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329600 65920 59.419 -32523 6512.4 -39035 -39035 -0.00022858 -0.00031907 -0.00047622 5.7514e+05 2024-05-08 18:20:45,075 INFO [main.py:798]
{rank 0/64} MD step = 329700 step time: 00:00:00.159894 Performance: 65.773 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:20:52,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329700 65940 60.133 -32576 6590.7 -39167 -39167 -0.00011667 -0.00041907 -0.00068575 5.753e+05 2024-05-08 18:21:07,887 INFO [main.py:798]
{rank 0/64} MD step = 329800 step time: 00:00:00.158090 Performance: 65.776 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 18:21:13,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329800 65960 60.288 -32571 6607.6 -39178 -39178 -0.00013334 -0.00080005 -0.00051431 5.7547e+05 2024-05-08 18:21:29,475 INFO [main.py:798]
{rank 0/64} MD step = 329900 step time: 00:00:00.153591 Performance: 65.779 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 18:21:35,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329900 65980 60.058 -32572 6582.4 -39154 -39154 0.00020954 -0.00030478 -0.00038097 5.7565e+05 2024-05-08 18:21:52,550 INFO [main.py:798]
{rank 0/64} MD step = 330000 step time: 00:00:00.155282 Performance: 65.782 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 18:21:59,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330000 66000 59.234 -32584 6492.1 -39076 -39076 -0.00032383 -0.00059051 -0.00011429 5.7582e+05 2024-05-08 18:22:15,318 INFO [main.py:798]
{rank 0/64} MD step = 330100 step time: 00:00:00.169423 Performance: 65.784 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 18:22:21,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330100 66020 60.487 -32675 6629.4 -39305 -39305 -0.00019049 -0.00038097 -0.00011429 5.7596e+05 2024-05-08 18:22:36,881 INFO [main.py:798]
{rank 0/64} MD step = 330200 step time: 00:00:00.161324 Performance: 65.788 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 18:22:41,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330200 66040 60.361 -32652 6615.6 -39268 -39268 -0.00038097 -0.00034288 -0.00022382 5.7615e+05 2024-05-08 18:22:57,552 INFO [main.py:798]
{rank 0/64} MD step = 330300 step time: 00:00:00.166768 Performance: 65.792 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 18:23:01,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330300 66060 60.157 -32667 6593.3 -39260 -39260 -0.00044764 -0.00049527 -0.00068575 5.763e+05 2024-05-08 18:23:18,587 INFO [main.py:798]
{rank 0/64} MD step = 330400 step time: 00:00:00.164632 Performance: 65.796 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 18:23:25,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330400 66080 60.191 -32614 6597 -39211 -39211 -3.8097e-05 -0.00041907 -4.7622e-06 5.765e+05 2024-05-08 18:23:42,463 INFO [main.py:798]
{rank 0/64} MD step = 330500 step time: 00:00:00.161415 Performance: 65.798 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 18:23:48,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330500 66100 60.082 -32610 6585 -39195 -39195 -0.00024763 -0.0003524 -7.6195e-05 5.7668e+05 2024-05-08 18:24:04,350 INFO [main.py:798]
{rank 0/64} MD step = 330600 step time: 00:00:00.155805 Performance: 65.801 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 18:24:10,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330600 66120 59.372 -32742 6507.3 -39250 -39250 0.00025716 -0.00032383 -0.00046669 5.7684e+05 2024-05-08 18:24:26,704 INFO [main.py:798]
{rank 0/64} MD step = 330700 step time: 00:00:00.161499 Performance: 65.804 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 18:24:32,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330700 66140 59.867 -32604 6561.5 -39166 -39166 -0.00011429 -0.00022858 -0.00060956 5.7702e+05 2024-05-08 18:24:48,918 INFO [main.py:798]
{rank 0/64} MD step = 330800 step time: 00:00:00.144623 Performance: 65.807 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-08 18:24:54,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330800 66160 60.549 -32457 6636.3 -39093 -39093 -0.0002143 -0.00062861 -0.00047622 5.7721e+05 2024-05-08 18:25:10,094 INFO [main.py:798]
{rank 0/64} MD step = 330900 step time: 00:00:00.145955 Performance: 65.811 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 18:25:15,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330900 66180 59.81 -32622 6555.3 -39177 -39177 -0.00013334 -0.00053336 6.667e-05 5.7737e+05 2024-05-08 18:25:31,597 INFO [main.py:798]
{rank 0/64} MD step = 331000 step time: 00:00:00.144338 Performance: 65.815 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 18:25:38,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331000 66200 60.581 -32708 6639.8 -39347 -39347 -0.00045717 -0.00038097 -1.9049e-05 5.7751e+05 2024-05-08 18:25:54,490 INFO [main.py:798]
{rank 0/64} MD step = 331100 step time: 00:00:00.148842 Performance: 65.817 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 18:26:00,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331100 66220 59.357 -32585 6505.6 -39090 -39090 -0.00026668 -0.00041907 -0.00034288 5.7774e+05 2024-05-08 18:26:16,268 INFO [main.py:798]
{rank 0/64} MD step = 331200 step time: 00:00:00.150704 Performance: 65.821 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 18:26:22,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331200 66240 60.28 -32617 6606.7 -39224 -39224 0.00013334 -0.00022382 -0.00062861 5.7789e+05 2024-05-08 18:26:38,276 INFO [main.py:798]
{rank 0/64} MD step = 331300 step time: 00:00:00.146430 Performance: 65.824 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 18:26:43,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331300 66260 59.962 -32650 6571.9 -39222 -39222 0.00028573 -0.00040002 -3.3335e-05 5.7808e+05 2024-05-08 18:26:59,292 INFO [main.py:798]
{rank 0/64} MD step = 331400 step time: 00:00:00.156094 Performance: 65.828 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-08 18:27:04,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331400 66280 60.481 -32707 6628.8 -39335 -39335 -0.00025716 -0.00036193 -0.00045717 5.7824e+05 2024-05-08 18:27:19,855 INFO [main.py:798]
{rank 0/64} MD step = 331500 step time: 00:00:00.149306 Performance: 65.832 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-08 18:27:27,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331500 66300 60.485 -32569 6629.2 -39198 -39198 1.9049e-05 0 -0.00026668 5.7842e+05 2024-05-08 18:27:43,436 INFO [main.py:798]
{rank 0/64} MD step = 331600 step time: 00:00:00.148464 Performance: 65.834 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-08 18:27:49,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331600 66320 60.796 -32556 6663.3 -39219 -39219 -0.00040002 -0.00053813 -0.00060003 5.7862e+05 2024-05-08 18:28:06,530 INFO [main.py:798]
{rank 0/64} MD step = 331700 step time: 00:00:00.146489 Performance: 65.836 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-08 18:28:11,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331700 66340 60.081 -32623 6585 -39208 -39208 -0.00030478 -0.00029049 -0.00020001 5.7883e+05 2024-05-08 18:28:27,858 INFO [main.py:798]
{rank 0/64} MD step = 331800 step time: 00:00:00.144707 Performance: 65.840 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-08 18:28:33,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331800 66360 59.262 -32628 6495.2 -39123 -39123 -0.0003905 -0.00038097 -0.00057146 5.7903e+05 2024-05-08 18:28:49,505 INFO [main.py:798]
{rank 0/64} MD step = 331900 step time: 00:00:00.154061 Performance: 65.844 ns/day 0.364 hours/ns 3.810 steps/s 2024-05-08 18:28:54,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331900 66380 60.289 -32547 6607.7 -39155 -39155 -0.00047622 -0.00036193 -1.9049e-05 5.7919e+05 2024-05-08 18:29:10,739 INFO [main.py:798]
{rank 0/64} MD step = 332000 step time: 00:00:00.148164 Performance: 65.847 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:29:15,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332000 66400 60.201 -32538 6598.1 -39136 -39136 9.5243e-05 -0.00024763 -2.8573e-05 5.7939e+05 2024-05-08 18:29:34,223 INFO [main.py:798]
{rank 0/64} MD step = 332100 step time: 00:00:00.161459 Performance: 65.850 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:29:43,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332100 66420 59.745 -32676 6548.2 -39225 -39225 -0.00034288 -0.00041907 -0.00059051 5.7951e+05 2024-05-08 18:29:59,328 INFO [main.py:798]
{rank 0/64} MD step = 332200 step time: 00:00:00.160411 Performance: 65.850 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:30:04,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332200 66440 60.035 -32617 6579.9 -39197 -39197 -0.00023811 -0.00038097 -0.00053336 5.7971e+05 2024-05-08 18:30:20,684 INFO [main.py:798]
{rank 0/64} MD step = 332300 step time: 00:00:00.154209 Performance: 65.854 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:30:27,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332300 66460 59.958 -32690 6571.5 -39261 -39261 -0.00011429 -0.00026668 -0.00059527 5.7985e+05 2024-05-08 18:30:42,930 INFO [main.py:798]
{rank 0/64} MD step = 332400 step time: 00:00:00.166555 Performance: 65.857 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:30:46,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332400 66480 59.105 -32746 6478 -39224 -39224 -0.00041907 -0.00045717 -3.8097e-05 5.8004e+05 2024-05-08 18:31:03,366 INFO [main.py:798]
{rank 0/64} MD step = 332500 step time: 00:00:00.143390 Performance: 65.861 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:31:17,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332500 66500 60.741 -32523 6657.3 -39180 -39180 -0.00028573 -0.00043812 -0.00034288 5.8026e+05 2024-05-08 18:31:33,510 INFO [main.py:798]
{rank 0/64} MD step = 332600 step time: 00:00:00.145916 Performance: 65.859 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:31:43,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332600 66520 59.683 -32604 6541.3 -39145 -39145 -0.00043336 -0.00051431 -0.00011429 5.8046e+05 2024-05-08 18:31:59,671 INFO [main.py:798]
{rank 0/64} MD step = 332700 step time: 00:00:00.151830 Performance: 65.859 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:32:07,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332700 66540 58.799 -32587 6444.4 -39031 -39031 -0.00033335 -0.00034288 -0.00068575 5.8065e+05 2024-05-08 18:32:23,599 INFO [main.py:798]
{rank 0/64} MD step = 332800 step time: 00:00:00.162863 Performance: 65.860 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-08 18:32:28,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332800 66560 60.376 -32476 6617.3 -39093 -39093 -0.00045717 -0.00041907 -0.0007429 5.8083e+05 2024-05-08 18:32:44,125 INFO [main.py:798]
{rank 0/64} MD step = 332900 step time: 00:00:00.154080 Performance: 65.865 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-08 18:32:50,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332900 66580 60.096 -32546 6586.6 -39132 -39132 -0.00015239 -0.00065718 -0.00060956 5.8098e+05 2024-05-08 18:33:05,800 INFO [main.py:798]
{rank 0/64} MD step = 333000 step time: 00:00:00.165702 Performance: 65.868 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-08 18:33:11,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333000 66600 60.155 -32679 6593.1 -39272 -39272 -0.00020954 -0.00032859 -0.00064766 5.8116e+05 2024-05-08 18:33:29,099 INFO [main.py:798]
{rank 0/64} MD step = 333100 step time: 00:00:00.173641 Performance: 65.870 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-08 18:33:34,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333100 66620 60.817 -32561 6665.6 -39226 -39226 -0.00045717 -0.00038097 -0.00057146 5.8133e+05 2024-05-08 18:33:51,241 INFO [main.py:798]
{rank 0/64} MD step = 333200 step time: 00:00:00.163032 Performance: 65.873 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-08 18:33:57,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333200 66640 60.072 -32667 6583.9 -39251 -39251 -0.00034288 -0.00045717 -0.00041907 5.8151e+05 2024-05-08 18:34:13,782 INFO [main.py:798]
{rank 0/64} MD step = 333300 step time: 00:00:00.161920 Performance: 65.876 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-08 18:34:17,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333300 66660 60.137 -32502 6591.1 -39093 -39093 -0.00053336 -0.00022858 7.6195e-05 5.8173e+05 2024-05-08 18:34:34,666 INFO [main.py:798]
{rank 0/64} MD step = 333400 step time: 00:00:00.153300 Performance: 65.880 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-08 18:34:41,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333400 66680 59.663 -32573 6539.1 -39112 -39112 -0.00037145 -0.0003905 0.00015239 5.8189e+05 2024-05-08 18:34:57,163 INFO [main.py:798]
{rank 0/64} MD step = 333500 step time: 00:00:00.170005 Performance: 65.883 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-08 18:35:02,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333500 66700 60.294 -32536 6608.3 -39144 -39144 -0.00045717 -0.00057146 0.00013334 5.8211e+05 2024-05-08 18:35:17,281 INFO [main.py:798]
{rank 0/64} MD step = 333600 step time: 00:00:00.170628 Performance: 65.888 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-08 18:35:25,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333600 66720 59.94 -32596 6569.5 -39166 -39166 -0.00045717 -0.00033335 -0.00011429 5.8224e+05 2024-05-08 18:35:41,917 INFO [main.py:798]
{rank 0/64} MD step = 333700 step time: 00:00:00.164907 Performance: 65.889 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-08 18:35:47,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333700 66740 59.588 -32729 6531 -39260 -39260 -0.00019049 -0.00044764 -0.00038574 5.8241e+05 2024-05-08 18:36:03,305 INFO [main.py:798]
{rank 0/64} MD step = 333800 step time: 00:00:00.168204 Performance: 65.892 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-08 18:36:08,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333800 66760 60.02 -32507 6578.2 -39086 -39086 -0.00043812 -0.00019049 -0.00037145 5.8262e+05 2024-05-08 18:36:24,109 INFO [main.py:798]
{rank 0/64} MD step = 333900 step time: 00:00:00.162798 Performance: 65.896 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-08 18:36:33,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333900 66780 59.625 -32522 6534.9 -39057 -39057 -0.00039526 -0.00059051 -0.00050479 5.8278e+05 2024-05-08 18:36:48,583 INFO [main.py:798]
{rank 0/64} MD step = 334000 step time: 00:00:00.165225 Performance: 65.898 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 18:36:56,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334000 66800 59.852 -32567 6559.9 -39127 -39127 -0.00030478 -0.00057146 -0.00015239 5.8294e+05 2024-05-08 18:37:11,092 INFO [main.py:798]
{rank 0/64} MD step = 334100 step time: 00:00:00.164916 Performance: 65.901 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 18:37:16,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334100 66820 59.97 -32692 6572.8 -39265 -39265 -0.00045717 -0.00052384 -0.00053336 5.831e+05 2024-05-08 18:37:32,397 INFO [main.py:798]
{rank 0/64} MD step = 334200 step time: 00:00:00.150350 Performance: 65.904 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 18:37:38,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334200 66840 60.39 -32772 6618.8 -39390 -39390 -0.00034288 -0.00038097 -0.00056194 5.8326e+05 2024-05-08 18:37:54,143 INFO [main.py:798]
{rank 0/64} MD step = 334300 step time: 00:00:00.160298 Performance: 65.908 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 18:37:59,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 66860 61.249 -32321 6712.9 -39034 -39034 -0.00032383 -0.00043812 -0.00067623 5.8351e+05 2024-05-08 18:38:14,195 INFO [main.py:798]
{rank 0/64} MD step = 334400 step time: 00:00:00.144855 Performance: 65.912 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-08 18:38:21,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334400 66880 59.612 -32639 6533.5 -39172 -39172 0.00018096 -0.00045717 -0.00029525 5.8368e+05 2024-05-08 18:38:37,127 INFO [main.py:798]
{rank 0/64} MD step = 334500 step time: 00:00:00.142103 Performance: 65.915 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:38:43,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334500 66900 60.462 -32626 6626.7 -39252 -39252 -0.00022858 -0.00034288 -0.00060956 5.8384e+05 2024-05-08 18:38:59,211 INFO [main.py:798]
{rank 0/64} MD step = 334600 step time: 00:00:00.157584 Performance: 65.918 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:39:05,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334600 66920 60.219 -32577 6600 -39177 -39177 -0.00033335 5.2384e-05 -0.00059051 5.8405e+05 2024-05-08 18:39:21,157 INFO [main.py:798]
{rank 0/64} MD step = 334700 step time: 00:00:00.160082 Performance: 65.921 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:39:32,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334700 66940 60.165 -32565 6594.2 -39159 -39159 -3.8097e-05 -0.00055241 -9.5243e-05 5.8423e+05 2024-05-08 18:39:47,452 INFO [main.py:798]
{rank 0/64} MD step = 334800 step time: 00:00:00.155325 Performance: 65.921 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:39:54,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334800 66960 59.614 -32654 6533.7 -39188 -39188 -0.00045717 -0.00040955 9.5243e-06 5.844e+05 2024-05-08 18:40:11,492 INFO [main.py:798]
{rank 0/64} MD step = 334900 step time: 00:00:00.165784 Performance: 65.923 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:40:17,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334900 66980 59.715 -32519 6544.9 -39064 -39064 0 -0.00059051 -0.00032383 5.8458e+05 2024-05-08 18:40:33,288 INFO [main.py:798]
{rank 0/64} MD step = 335000 step time: 00:00:00.169418 Performance: 65.926 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:40:46,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335000 67000 59.509 -32578 6522.3 -39100 -39100 -0.00022858 -0.00045717 -0.00045717 5.8475e+05 2024-05-08 18:41:02,196 INFO [main.py:798]
{rank 0/64} MD step = 335100 step time: 00:00:00.157511 Performance: 65.924 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:41:10,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335100 67020 59.161 -32640 6484.1 -39124 -39124 0.00022858 -0.00043812 -0.00034288 5.8495e+05 2024-05-08 18:41:26,263 INFO [main.py:798]
{rank 0/64} MD step = 335200 step time: 00:00:00.136999 Performance: 65.926 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:41:39,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335200 67040 60.092 -32406 6586.2 -38992 -38992 -0.00034764 -0.00053336 -0.00019049 5.8513e+05 2024-05-08 18:41:54,579 INFO [main.py:798]
{rank 0/64} MD step = 335300 step time: 00:00:00.137550 Performance: 65.924 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:42:08,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335300 67060 60.684 -32482 6651 -39133 -39133 -0.00028573 -0.00040955 -0.00049527 5.8525e+05 2024-05-08 18:42:23,782 INFO [main.py:798]
{rank 0/64} MD step = 335400 step time: 00:00:00.155527 Performance: 65.922 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:42:31,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335400 67080 60.025 -32550 6578.9 -39129 -39129 -0.00043812 -0.00064766 -0.00057146 5.8546e+05 2024-05-08 18:42:46,978 INFO [main.py:798]
{rank 0/64} MD step = 335500 step time: 00:00:00.144773 Performance: 65.924 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:42:52,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335500 67100 60.835 -32396 6667.6 -39063 -39063 -0.00017144 -0.00026668 -0.00068575 5.8562e+05 2024-05-08 18:43:10,457 INFO [main.py:798]
{rank 0/64} MD step = 335600 step time: 00:00:00.147507 Performance: 65.926 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:43:24,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335600 67120 60.089 -32480 6585.9 -39066 -39066 -0.00028573 -0.0003524 0 5.8581e+05 2024-05-08 18:43:41,388 INFO [main.py:798]
{rank 0/64} MD step = 335700 step time: 00:00:00.161723 Performance: 65.923 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:43:48,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335700 67140 60.504 -32591 6631.3 -39223 -39223 -0.00030478 -0.00034288 -0.00049527 5.8596e+05 2024-05-08 18:44:04,336 INFO [main.py:798]
{rank 0/64} MD step = 335800 step time: 00:00:00.155269 Performance: 65.925 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:44:11,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335800 67160 60.805 -32322 6664.3 -38986 -38986 -0.00040002 -0.00052384 -0.0007429 5.8617e+05 2024-05-08 18:44:27,349 INFO [main.py:798]
{rank 0/64} MD step = 335900 step time: 00:00:00.146591 Performance: 65.927 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:44:39,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335900 67180 59.755 -32606 6549.2 -39155 -39155 -0.00013334 -0.00028573 -0.00011429 5.8634e+05 2024-05-08 18:44:54,924 INFO [main.py:798]
{rank 0/64} MD step = 336000 step time: 00:00:00.151617 Performance: 65.926 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:45:06,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336000 67200 60.826 -32472 6666.6 -39138 -39138 -0.00025716 -0.00048574 -0.00028573 5.8654e+05 2024-05-08 18:45:22,086 INFO [main.py:798]
{rank 0/64} MD step = 336100 step time: 00:00:00.145160 Performance: 65.926 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:45:35,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336100 67220 59.79 -32584 6553 -39137 -39137 -7.6195e-05 -0.00034288 -0.00060956 5.8669e+05 2024-05-08 18:45:51,234 INFO [main.py:798]
{rank 0/64} MD step = 336200 step time: 00:00:00.170495 Performance: 65.923 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:45:58,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336200 67240 60.003 -32451 6576.5 -39027 -39027 -0.00049527 -0.00034288 -1.9049e-05 5.8688e+05 2024-05-08 18:46:14,485 INFO [main.py:798]
{rank 0/64} MD step = 336300 step time: 00:00:00.170077 Performance: 65.926 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:46:19,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336300 67260 59.924 -32678 6567.8 -39246 -39246 -0.00040002 -0.00057146 -0.00064766 5.8703e+05 2024-05-08 18:46:36,830 INFO [main.py:798]
{rank 0/64} MD step = 336400 step time: 00:00:00.162961 Performance: 65.929 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-08 18:46:42,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336400 67280 59.484 -32684 6519.5 -39203 -39203 -0.00028573 -0.00033335 -0.00037145 5.8721e+05 2024-05-08 18:46:58,297 INFO [main.py:798]
{rank 0/64} MD step = 336500 step time: 00:00:00.165950 Performance: 65.932 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-08 18:47:03,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336500 67300 59.23 -32635 6491.7 -39127 -39127 -0.00034288 -0.00046193 -0.00059051 5.8742e+05 2024-05-08 18:47:18,665 INFO [main.py:798]
{rank 0/64} MD step = 336600 step time: 00:00:00.153153 Performance: 65.936 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-08 18:47:26,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336600 67320 60.136 -32597 6591 -39188 -39188 -0.00044764 -0.00045717 -0.00053336 5.8757e+05 2024-05-08 18:47:42,079 INFO [main.py:798]
{rank 0/64} MD step = 336700 step time: 00:00:00.165056 Performance: 65.939 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-08 18:47:48,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336700 67340 60.116 -32598 6588.8 -39187 -39187 -0.00043812 -0.00045717 3.8097e-05 5.8774e+05 2024-05-08 18:48:03,251 INFO [main.py:798]
{rank 0/64} MD step = 336800 step time: 00:00:00.155387 Performance: 65.942 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-08 18:48:09,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336800 67360 59.791 -32559 6553.1 -39112 -39112 -3.8097e-05 -0.00045717 -0.00029525 5.8792e+05 2024-05-08 18:48:25,485 INFO [main.py:798]
{rank 0/64} MD step = 336900 step time: 00:00:00.186722 Performance: 65.945 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-08 18:48:31,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336900 67380 60.389 -32534 6618.7 -39153 -39153 0.00026668 -0.00049527 -0.00038097 5.881e+05 2024-05-08 18:48:47,206 INFO [main.py:798]
{rank 0/64} MD step = 337000 step time: 00:00:00.159713 Performance: 65.949 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-08 18:48:54,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337000 67400 59.568 -32657 6528.8 -39185 -39185 -0.00040002 -0.00043812 -0.00038097 5.8826e+05 2024-05-08 18:49:10,927 INFO [main.py:798]
{rank 0/64} MD step = 337100 step time: 00:00:00.164787 Performance: 65.950 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-08 18:49:15,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337100 67420 60.205 -32663 6598.5 -39262 -39262 -0.00045717 -0.00059051 -0.00055241 5.8841e+05 2024-05-08 18:49:31,143 INFO [main.py:798]
{rank 0/64} MD step = 337200 step time: 00:00:00.159731 Performance: 65.955 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-08 18:49:36,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337200 67440 60.218 -32539 6600 -39139 -39139 -0.0003905 -0.00041907 -0.0004286 5.8861e+05 2024-05-08 18:49:52,368 INFO [main.py:798]
{rank 0/64} MD step = 337300 step time: 00:00:00.155864 Performance: 65.959 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-08 18:49:58,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337300 67460 59.889 -32520 6563.9 -39083 -39083 -0.00020001 -0.00058575 -0.00034288 5.8878e+05 2024-05-08 18:50:14,447 INFO [main.py:798]
{rank 0/64} MD step = 337400 step time: 00:00:00.151061 Performance: 65.962 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-08 18:50:23,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337400 67480 60.731 -32562 6656.2 -39218 -39218 -0.00041907 -0.00053336 -0.00027621 5.8897e+05 2024-05-08 18:50:39,855 INFO [main.py:798]
{rank 0/64} MD step = 337500 step time: 00:00:00.157350 Performance: 65.962 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-08 18:50:44,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337500 67500 59.287 -32783 6498 -39281 -39281 6.667e-05 -0.0003143 5.9527e-05 5.8915e+05 2024-05-08 18:51:01,828 INFO [main.py:798]
{rank 0/64} MD step = 337600 step time: 00:00:00.158633 Performance: 65.965 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-08 18:51:07,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337600 67520 60.381 -32523 6617.8 -39141 -39141 -0.00034288 -0.00047622 -0.00045717 5.8932e+05 2024-05-08 18:51:22,573 INFO [main.py:798]
{rank 0/64} MD step = 337700 step time: 00:00:00.150331 Performance: 65.970 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-08 18:51:29,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337700 67540 59.454 -32670 6516.2 -39186 -39186 -0.00024763 -0.0006667 -0.00059051 5.895e+05 2024-05-08 18:51:44,484 INFO [main.py:798]
{rank 0/64} MD step = 337800 step time: 00:00:00.148305 Performance: 65.973 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-08 18:51:49,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337800 67560 59.625 -32649 6535 -39184 -39184 0.00028573 -0.00040002 -0.00057146 5.8968e+05 2024-05-08 18:52:06,783 INFO [main.py:798]
{rank 0/64} MD step = 337900 step time: 00:00:00.168248 Performance: 65.976 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-08 18:52:13,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337900 67580 60.141 -32626 6591.5 -39217 -39217 -0.00024763 -0.00049527 -0.00062861 5.8984e+05 2024-05-08 18:52:28,692 INFO [main.py:798]
{rank 0/64} MD step = 338000 step time: 00:00:00.178083 Performance: 65.979 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-08 18:52:34,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338000 67600 60.937 -32488 6678.8 -39166 -39166 -0.00026668 -0.0004905 -0.00059051 5.9003e+05 2024-05-08 18:52:50,166 INFO [main.py:798]
{rank 0/64} MD step = 338100 step time: 00:00:00.156420 Performance: 65.982 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-08 18:52:57,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338100 67620 59.662 -32722 6539.1 -39261 -39261 -0.00011429 -0.00060956 -0.00055241 5.9017e+05 2024-05-08 18:53:13,316 INFO [main.py:798]
{rank 0/64} MD step = 338200 step time: 00:00:00.168981 Performance: 65.985 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:53:19,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338200 67640 59.856 -32571 6560.3 -39131 -39131 -0.00022858 -0.00041907 -0.00040002 5.9038e+05 2024-05-08 18:53:35,076 INFO [main.py:798]
{rank 0/64} MD step = 338300 step time: 00:00:00.159185 Performance: 65.988 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:53:41,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338300 67660 59.464 -32552 6517.3 -39070 -39070 -0.00022858 -0.00030002 0 5.906e+05 2024-05-08 18:53:56,829 INFO [main.py:798]
{rank 0/64} MD step = 338400 step time: 00:00:00.140321 Performance: 65.991 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:54:06,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338400 67680 59.868 -32658 6561.6 -39220 -39220 -3.8097e-05 -0.00040002 -0.00049527 5.9075e+05 2024-05-08 18:54:21,973 INFO [main.py:798]
{rank 0/64} MD step = 338500 step time: 00:00:00.162121 Performance: 65.992 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:54:31,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338500 67700 59.71 -32592 6544.3 -39136 -39136 7.6195e-05 -0.00062861 -0.00056194 5.9093e+05 2024-05-08 18:54:46,994 INFO [main.py:798]
{rank 0/64} MD step = 338600 step time: 00:00:00.160419 Performance: 65.993 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:54:55,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338600 67720 60.302 -32660 6609.1 -39269 -39269 -0.00062861 -0.00040002 -0.00020001 5.9109e+05 2024-05-08 18:55:10,825 INFO [main.py:798]
{rank 0/64} MD step = 338700 step time: 00:00:00.156223 Performance: 65.995 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:55:21,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338700 67740 60.112 -32559 6588.4 -39148 -39148 -0.00040002 -0.0004286 -9.5243e-06 5.913e+05 2024-05-08 18:55:37,254 INFO [main.py:798]
{rank 0/64} MD step = 338800 step time: 00:00:00.151281 Performance: 65.994 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:55:41,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338800 67760 60.66 -32506 6648.5 -39154 -39154 -0.00036193 -0.00045717 -0.00036669 5.9149e+05 2024-05-08 18:55:59,903 INFO [main.py:798]
{rank 0/64} MD step = 338900 step time: 00:00:00.154442 Performance: 65.997 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:56:13,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338900 67780 59.441 -32716 6514.8 -39231 -39231 -0.00041907 -0.00040002 -0.00076433 5.9168e+05 2024-05-08 18:56:29,742 INFO [main.py:798]
{rank 0/64} MD step = 339000 step time: 00:00:00.169535 Performance: 65.994 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:56:37,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339000 67800 58.911 -32895 6456.8 -39352 -39352 -0.00022858 -0.00026668 -0.00039288 5.9184e+05 2024-05-08 18:56:52,980 INFO [main.py:798]
{rank 0/64} MD step = 339100 step time: 00:00:00.155075 Performance: 65.996 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:57:00,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339100 67820 59.81 -32573 6555.3 -39128 -39128 -0.00038097 -0.00041907 -0.00061908 5.9202e+05 2024-05-08 18:57:16,298 INFO [main.py:798]
{rank 0/64} MD step = 339200 step time: 00:00:00.152898 Performance: 65.999 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:57:23,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339200 67840 59.035 -32601 6470.3 -39071 -39071 -0.00025716 -0.00032383 -0.00015239 5.9221e+05 2024-05-08 18:57:39,418 INFO [main.py:798]
{rank 0/64} MD step = 339300 step time: 00:00:00.157008 Performance: 66.001 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:57:46,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339300 67860 59.537 -32548 6525.3 -39073 -39073 -0.00030478 -0.00032383 -0.00057146 5.9238e+05 2024-05-08 18:58:02,170 INFO [main.py:798]
{rank 0/64} MD step = 339400 step time: 00:00:00.154393 Performance: 66.003 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 18:58:09,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339400 67880 59.946 -32603 6570.1 -39173 -39173 -0.00032383 -0.00037145 -0.00028573 5.9254e+05 2024-05-08 18:58:26,436 INFO [main.py:798]
{rank 0/64} MD step = 339500 step time: 00:00:00.153523 Performance: 66.005 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 18:58:43,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339500 67900 60.806 -32461 6664.4 -39126 -39126 -0.00022858 -0.00038097 -0.00072385 5.9272e+05 2024-05-08 18:58:58,693 INFO [main.py:798]
{rank 0/64} MD step = 339600 step time: 00:00:00.158404 Performance: 66.000 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-08 18:59:06,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339600 67920 60.8 -32563 6663.7 -39226 -39226 -0.00055241 -0.00053336 -0.00044288 5.929e+05 2024-05-08 18:59:22,553 INFO [main.py:798]
{rank 0/64} MD step = 339700 step time: 00:00:00.148689 Performance: 66.002 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 18:59:32,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339700 67940 61.166 -32562 6703.8 -39266 -39266 -0.00043812 -0.00040002 -0.00030478 5.9303e+05 2024-05-08 18:59:48,189 INFO [main.py:798]
{rank 0/64} MD step = 339800 step time: 00:00:00.155430 Performance: 66.002 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 18:59:57,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339800 67960 59.784 -32721 6552.4 -39273 -39273 -0.00043812 -0.00045717 -0.00040002 5.9321e+05 2024-05-08 19:00:15,721 INFO [main.py:798]
{rank 0/64} MD step = 339900 step time: 00:00:00.150342 Performance: 66.001 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:00:24,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339900 67980 59.681 -32703 6541.1 -39245 -39245 -0.00026668 -0.00024763 -0.00053336 5.9338e+05 2024-05-08 19:00:40,355 INFO [main.py:798]
{rank 0/64} MD step = 340000 step time: 00:00:00.159534 Performance: 66.003 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:00:49,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340000 68000 59.021 -32924 6468.8 -39392 -39392 -8.5719e-05 -0.00057146 -0.00022858 5.9355e+05 2024-05-08 19:01:05,149 INFO [main.py:798]
{rank 0/64} MD step = 340100 step time: 00:00:00.163969 Performance: 66.004 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:01:16,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340100 68020 59.722 -32593 6545.6 -39139 -39139 -0.00060956 -0.00058099 -0.00027621 5.9376e+05 2024-05-08 19:01:32,776 INFO [main.py:798]
{rank 0/64} MD step = 340200 step time: 00:00:00.157316 Performance: 66.003 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:01:39,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340200 68040 60.797 -32393 6663.5 -39056 -39056 -0.00026668 -0.0006667 -0.00049527 5.9394e+05 2024-05-08 19:01:57,820 INFO [main.py:798]
{rank 0/64} MD step = 340300 step time: 00:00:00.160827 Performance: 66.003 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:02:06,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340300 68060 59.54 -32703 6525.6 -39229 -39229 -0.00032383 -0.00026668 -7.6195e-05 5.9407e+05 2024-05-08 19:02:22,116 INFO [main.py:798]
{rank 0/64} MD step = 340400 step time: 00:00:00.158526 Performance: 66.005 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:02:29,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340400 68080 60.429 -32511 6623.1 -39134 -39134 -0.00038097 -0.00053336 -0.00030478 5.9427e+05 2024-05-08 19:02:48,801 INFO [main.py:798]
{rank 0/64} MD step = 340500 step time: 00:00:00.159260 Performance: 66.004 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:02:55,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340500 68100 60.072 -32680 6583.9 -39264 -39264 -0.00047622 -0.00041907 -0.00055717 5.9441e+05 2024-05-08 19:03:10,904 INFO [main.py:798]
{rank 0/64} MD step = 340600 step time: 00:00:00.149735 Performance: 66.007 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:03:19,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340600 68120 60.078 -32749 6584.7 -39334 -39334 -0.00036193 -0.00037145 -0.00080005 5.9457e+05 2024-05-08 19:03:36,286 INFO [main.py:798]
{rank 0/64} MD step = 340700 step time: 00:00:00.161274 Performance: 66.008 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:03:44,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340700 68140 60.175 -32640 6595.2 -39235 -39235 -0.00022858 -0.00047622 -0.00049527 5.9475e+05 2024-05-08 19:03:59,620 INFO [main.py:798]
{rank 0/64} MD step = 340800 step time: 00:00:00.160591 Performance: 66.010 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:04:06,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340800 68160 60.307 -32521 6609.7 -39131 -39131 -7.6195e-05 -0.00045717 -0.00050003 5.9494e+05 2024-05-08 19:04:22,316 INFO [main.py:798]
{rank 0/64} MD step = 340900 step time: 00:00:00.148762 Performance: 66.013 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:04:27,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340900 68180 60.61 -32509 6642.9 -39152 -39152 -0.00045717 1.4287e-05 -0.00051431 5.9513e+05 2024-05-08 19:04:45,028 INFO [main.py:798]
{rank 0/64} MD step = 341000 step time: 00:00:00.156037 Performance: 66.015 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 19:04:50,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341000 68200 59.46 -32687 6516.9 -39204 -39204 -0.00038097 -0.0005286 -0.00026668 5.9531e+05 2024-05-08 19:05:05,549 INFO [main.py:798]
{rank 0/64} MD step = 341100 step time: 00:00:00.186351 Performance: 66.019 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-08 19:05:11,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341100 68220 60.465 -32368 6627 -38995 -38995 -0.00033811 -0.00053336 -0.00024763 5.955e+05 2024-05-08 19:05:27,256 INFO [main.py:798]
{rank 0/64} MD step = 341200 step time: 00:00:00.158193 Performance: 66.023 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-08 19:05:34,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341200 68240 60.435 -32583 6623.7 -39207 -39207 -0.00043812 -0.00025716 -0.0004286 5.9564e+05 2024-05-08 19:05:50,937 INFO [main.py:798]
{rank 0/64} MD step = 341300 step time: 00:00:00.158051 Performance: 66.025 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-08 19:05:55,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341300 68260 59.937 -32461 6569.2 -39030 -39030 -0.00016668 -0.00062861 -0.00015239 5.9585e+05 2024-05-08 19:06:13,048 INFO [main.py:798]
{rank 0/64} MD step = 341400 step time: 00:00:00.165586 Performance: 66.028 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-08 19:06:18,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341400 68280 59.803 -32583 6554.5 -39137 -39137 -0.00047622 -0.00067147 -0.00053336 5.9603e+05 2024-05-08 19:06:34,689 INFO [main.py:798]
{rank 0/64} MD step = 341500 step time: 00:00:00.162335 Performance: 66.031 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-08 19:06:40,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341500 68300 58.842 -32664 6449.2 -39113 -39113 -0.00041907 -0.00038097 -5.7146e-05 5.962e+05 2024-05-08 19:06:56,023 INFO [main.py:798]
{rank 0/64} MD step = 341600 step time: 00:00:00.165607 Performance: 66.035 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-08 19:07:01,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341600 68320 60.979 -32472 6683.4 -39156 -39156 -0.00033097 -0.00034288 -0.00037145 5.9636e+05 2024-05-08 19:07:17,551 INFO [main.py:798]
{rank 0/64} MD step = 341700 step time: 00:00:00.166237 Performance: 66.038 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 19:07:24,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341700 68340 60.214 -32493 6599.5 -39093 -39093 -0.00036193 -0.00026668 -0.00045717 5.9654e+05 2024-05-08 19:07:39,929 INFO [main.py:798]
{rank 0/64} MD step = 341800 step time: 00:00:00.163976 Performance: 66.041 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 19:07:46,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341800 68360 60.197 -32476 6597.7 -39073 -39073 -0.00027621 -0.00051431 -0.00053336 5.9672e+05 2024-05-08 19:08:02,397 INFO [main.py:798]
{rank 0/64} MD step = 341900 step time: 00:00:00.161622 Performance: 66.043 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 19:08:10,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341900 68380 61.549 -32357 6745.9 -39103 -39103 -0.00020954 -0.00046907 -0.00036193 5.9687e+05 2024-05-08 19:08:28,990 INFO [main.py:798]
{rank 0/64} MD step = 342000 step time: 00:00:00.153189 Performance: 66.043 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 19:08:35,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342000 68400 59.928 -32696 6568.2 -39265 -39265 -0.00016191 -0.00024763 -0.00058099 5.9704e+05 2024-05-08 19:08:53,643 INFO [main.py:798]
{rank 0/64} MD step = 342100 step time: 00:00:00.152334 Performance: 66.044 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 19:09:01,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342100 68420 60.449 -32419 6625.2 -39044 -39044 -0.00021906 -0.00060003 -0.00014287 5.9723e+05 2024-05-08 19:09:17,000 INFO [main.py:798]
{rank 0/64} MD step = 342200 step time: 00:00:00.168709 Performance: 66.046 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 19:09:23,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342200 68440 60.321 -32539 6611.3 -39151 -39151 -0.00019049 -0.00050479 -3.8097e-05 5.9737e+05 2024-05-08 19:09:39,681 INFO [main.py:798]
{rank 0/64} MD step = 342300 step time: 00:00:00.158289 Performance: 66.049 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 19:09:46,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342300 68460 59.461 -32607 6517 -39124 -39124 -0.00038097 -0.00045717 -0.00017144 5.9753e+05 2024-05-08 19:10:03,748 INFO [main.py:798]
{rank 0/64} MD step = 342400 step time: 00:00:00.160994 Performance: 66.050 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-08 19:10:09,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342400 68480 59.28 -32617 6497.2 -39114 -39114 -0.00022858 -0.00040002 1.9049e-05 5.977e+05 2024-05-08 19:10:26,418 INFO [main.py:798]
{rank 0/64} MD step = 342500 step time: 00:00:00.162190 Performance: 66.053 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:10:34,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342500 68500 60.525 -32590 6633.7 -39223 -39223 -0.00057146 -0.00045717 -0.00051431 5.9786e+05 2024-05-08 19:10:50,915 INFO [main.py:798]
{rank 0/64} MD step = 342600 step time: 00:00:00.155497 Performance: 66.054 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:10:58,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342600 68520 59.775 -32602 6551.4 -39153 -39153 -0.00022858 -0.00043812 -0.00026668 5.9811e+05 2024-05-08 19:11:14,579 INFO [main.py:798]
{rank 0/64} MD step = 342700 step time: 00:00:00.155212 Performance: 66.056 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:11:21,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342700 68540 59.772 -32576 6551.1 -39127 -39127 -0.00051431 -0.00033335 -0.00060956 5.9827e+05 2024-05-08 19:11:37,336 INFO [main.py:798]
{rank 0/64} MD step = 342800 step time: 00:00:00.146565 Performance: 66.059 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:11:45,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342800 68560 59.838 -32532 6558.3 -39090 -39090 -0.0003524 -0.00049527 -0.00060956 5.9847e+05 2024-05-08 19:12:02,165 INFO [main.py:798]
{rank 0/64} MD step = 342900 step time: 00:00:00.147987 Performance: 66.060 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:12:09,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342900 68580 59.794 -32654 6553.5 -39207 -39207 -0.00037145 -0.00045717 -0.00051431 5.9863e+05 2024-05-08 19:12:24,807 INFO [main.py:798]
{rank 0/64} MD step = 343000 step time: 00:00:00.149565 Performance: 66.062 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:12:30,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343000 68600 60.477 -32523 6628.4 -39152 -39152 -0.00045717 -0.00038097 -0.00045717 5.9883e+05 2024-05-08 19:12:46,384 INFO [main.py:798]
{rank 0/64} MD step = 343100 step time: 00:00:00.149201 Performance: 66.066 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:12:53,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343100 68620 61.269 -32357 6715.2 -39072 -39072 0.00022858 -0.00045717 -0.00050479 5.9903e+05 2024-05-08 19:13:09,404 INFO [main.py:798]
{rank 0/64} MD step = 343200 step time: 00:00:00.141004 Performance: 66.068 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:13:24,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343200 68640 60.937 -32488 6678.8 -39167 -39167 -0.00037145 -0.00032383 -0.00024763 5.9916e+05 2024-05-08 19:13:41,187 INFO [main.py:798]
{rank 0/64} MD step = 343300 step time: 00:00:00.139898 Performance: 66.064 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:13:48,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343300 68660 59.7 -32684 6543.2 -39228 -39228 4.7622e-05 -0.00026668 1.9049e-05 5.9932e+05 2024-05-08 19:14:03,812 INFO [main.py:798]
{rank 0/64} MD step = 343400 step time: 00:00:00.146042 Performance: 66.066 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:14:08,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343400 68680 59.657 -32600 6538.5 -39139 -39139 0.00024763 -0.00040002 -8.9291e-05 5.9951e+05 2024-05-08 19:14:26,723 INFO [main.py:798]
{rank 0/64} MD step = 343500 step time: 00:00:00.150895 Performance: 66.069 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:14:37,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343500 68700 60.779 -32349 6661.5 -39010 -39010 -5.7146e-05 -0.00053336 1.9049e-05 5.9969e+05 2024-05-08 19:14:53,892 INFO [main.py:798]
{rank 0/64} MD step = 343600 step time: 00:00:00.159507 Performance: 66.068 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:15:01,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343600 68720 59.931 -32473 6568.5 -39041 -39041 -0.00036193 -0.00044764 -0.00051431 5.9987e+05 2024-05-08 19:15:17,666 INFO [main.py:798]
{rank 0/64} MD step = 343700 step time: 00:00:00.156254 Performance: 66.070 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-08 19:15:23,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343700 68740 59.728 -32594 6546.3 -39140 -39140 -0.00033335 -0.0006667 -0.00040002 6.0001e+05 2024-05-08 19:15:39,194 INFO [main.py:798]
{rank 0/64} MD step = 343800 step time: 00:00:00.151459 Performance: 66.073 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 19:15:44,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343800 68760 59.857 -32529 6560.4 -39089 -39089 -5.7146e-05 -0.00026192 -0.00032383 6.002e+05 2024-05-08 19:16:00,027 INFO [main.py:798]
{rank 0/64} MD step = 343900 step time: 00:00:00.153920 Performance: 66.077 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 19:16:08,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343900 68780 59.164 -32657 6484.4 -39142 -39142 -0.00038097 -0.00057146 3.3335e-05 6.0037e+05 2024-05-08 19:16:25,109 INFO [main.py:798]
{rank 0/64} MD step = 344000 step time: 00:00:00.156978 Performance: 66.078 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 19:16:30,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344000 68800 60.66 -32473 6648.4 -39121 -39121 9.5243e-05 -0.00049527 -0.0004286 6.0055e+05 2024-05-08 19:16:46,727 INFO [main.py:798]
{rank 0/64} MD step = 344100 step time: 00:00:00.160241 Performance: 66.081 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 19:16:52,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344100 68820 60.836 -32450 6667.7 -39118 -39118 -0.00040002 0 -0.00015239 6.0078e+05 2024-05-08 19:17:08,996 INFO [main.py:798]
{rank 0/64} MD step = 344200 step time: 00:00:00.160509 Performance: 66.084 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 19:17:15,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344200 68840 59.331 -32666 6502.7 -39168 -39168 -0.00022858 -0.00041907 -0.0007048 6.0093e+05 2024-05-08 19:17:31,459 INFO [main.py:798]
{rank 0/64} MD step = 344300 step time: 00:00:00.163754 Performance: 66.087 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-08 19:17:38,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344300 68860 60.373 -32629 6616.9 -39246 -39246 -0.0003524 -0.00049527 -0.00054289 6.0108e+05 2024-05-08 19:17:54,117 INFO [main.py:798]
{rank 0/64} MD step = 344400 step time: 00:00:00.158783 Performance: 66.089 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:18:01,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344400 68880 60.685 -32438 6651.1 -39089 -39089 -0.00020001 -0.00046669 -0.00038097 6.0128e+05 2024-05-08 19:18:17,064 INFO [main.py:798]
{rank 0/64} MD step = 344500 step time: 00:00:00.147809 Performance: 66.092 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:18:23,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344500 68900 60.652 -32614 6647.5 -39261 -39261 -0.00050955 -0.00023811 -0.0004286 6.0144e+05 2024-05-08 19:18:39,065 INFO [main.py:798]
{rank 0/64} MD step = 344600 step time: 00:00:00.146974 Performance: 66.095 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:18:43,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344600 68920 59.245 -32665 6493.3 -39158 -39158 -7.6195e-05 -0.0003143 0 6.016e+05 2024-05-08 19:19:00,530 INFO [main.py:798]
{rank 0/64} MD step = 344700 step time: 00:00:00.142143 Performance: 66.098 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:19:07,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344700 68940 60.463 -32525 6626.8 -39151 -39151 -0.00011429 -0.00047622 -0.00016191 6.0178e+05 2024-05-08 19:19:24,045 INFO [main.py:798]
{rank 0/64} MD step = 344800 step time: 00:00:00.154677 Performance: 66.100 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:19:30,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344800 68960 59.578 -32545 6529.8 -39075 -39075 -0.00030478 -0.00052384 -0.00072385 6.0195e+05 2024-05-08 19:19:46,206 INFO [main.py:798]
{rank 0/64} MD step = 344900 step time: 00:00:00.150288 Performance: 66.103 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:20:07,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344900 68980 60.508 -32569 6631.7 -39200 -39200 -0.00012382 -0.00033335 -0.00020954 6.0208e+05 2024-05-08 19:20:24,568 INFO [main.py:798]
{rank 0/64} MD step = 345000 step time: 00:00:00.157543 Performance: 66.094 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:20:35,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345000 69000 59.526 -32623 6524.1 -39147 -39147 -0.00038097 -0.00046669 3.8097e-05 6.0225e+05 2024-05-08 19:20:51,212 INFO [main.py:798]
{rank 0/64} MD step = 345100 step time: 00:00:00.158437 Performance: 66.094 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:21:00,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345100 69020 60.149 -32553 6592.4 -39146 -39146 -0.00013334 -0.00057146 -0.00072385 6.0241e+05 2024-05-08 19:21:16,820 INFO [main.py:798]
{rank 0/64} MD step = 345200 step time: 00:00:00.149098 Performance: 66.094 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:21:22,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345200 69040 59.553 -32683 6527.1 -39210 -39210 -0.00049527 -0.00049527 -0.00057146 6.0257e+05 2024-05-08 19:21:39,114 INFO [main.py:798]
{rank 0/64} MD step = 345300 step time: 00:00:00.151146 Performance: 66.097 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:21:50,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345300 69060 60.477 -32503 6628.3 -39131 -39131 -0.00030478 -0.00028573 0.00011429 6.0274e+05 2024-05-08 19:22:05,759 INFO [main.py:798]
{rank 0/64} MD step = 345400 step time: 00:00:00.153240 Performance: 66.096 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:22:12,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345400 69080 60.115 -32569 6588.6 -39158 -39158 -0.00022858 -0.0003905 -0.00015239 6.029e+05 2024-05-08 19:22:28,348 INFO [main.py:798]
{rank 0/64} MD step = 345500 step time: 00:00:00.149934 Performance: 66.099 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:22:36,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345500 69100 60.615 -32530 6643.4 -39174 -39174 -0.00058099 -0.00076671 -0.00046669 6.0306e+05 2024-05-08 19:22:53,639 INFO [main.py:798]
{rank 0/64} MD step = 345600 step time: 00:00:00.140182 Performance: 66.100 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:23:00,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345600 69120 59.931 -32387 6568.6 -38956 -38956 -0.00032383 -0.00060956 -0.00058575 6.0327e+05 2024-05-08 19:23:16,366 INFO [main.py:798]
{rank 0/64} MD step = 345700 step time: 00:00:00.146066 Performance: 66.102 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-08 19:23:22,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345700 69140 59.809 -32622 6555.1 -39177 -39177 0.00032383 -0.0006667 -0.00064766 6.0343e+05 2024-05-08 19:23:38,677 INFO [main.py:798]
{rank 0/64} MD step = 345800 step time: 00:00:00.145870 Performance: 66.105 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-08 19:23:45,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345800 69160 59.923 -32563 6567.7 -39130 -39130 -0.00029525 -0.00053336 -0.00019049 6.0359e+05 2024-05-08 19:24:02,323 INFO [main.py:798]
{rank 0/64} MD step = 345900 step time: 00:00:00.150190 Performance: 66.107 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-08 19:24:09,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345900 69180 60.23 -32493 6601.2 -39094 -39094 -0.00052384 -0.00057146 -0.00020954 6.0374e+05 2024-05-08 19:24:25,838 INFO [main.py:798]
{rank 0/64} MD step = 346000 step time: 00:00:00.151832 Performance: 66.109 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-08 19:24:31,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346000 69200 59.905 -32520 6565.7 -39085 -39085 -0.00036193 -0.00028573 -0.00034288 6.0392e+05 2024-05-08 19:24:48,170 INFO [main.py:798]
{rank 0/64} MD step = 346100 step time: 00:00:00.146851 Performance: 66.111 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-08 19:24:53,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346100 69220 60.035 -32631 6579.9 -39211 -39211 -0.00061908 -0.00057146 3.8097e-05 6.0408e+05 2024-05-08 19:25:09,786 INFO [main.py:798]
{rank 0/64} MD step = 346200 step time: 00:00:00.158486 Performance: 66.115 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-08 19:25:15,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346200 69240 60.662 -32590 6648.6 -39239 -39239 -0.00051431 -0.00047622 -0.00036193 6.0424e+05 2024-05-08 19:25:31,336 INFO [main.py:798]
{rank 0/64} MD step = 346300 step time: 00:00:00.145772 Performance: 66.118 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-08 19:25:35,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346300 69260 59.51 -32633 6522.4 -39156 -39156 -0.00059051 -0.00033335 -0.00030478 6.0442e+05 2024-05-08 19:25:53,570 INFO [main.py:798]
{rank 0/64} MD step = 346400 step time: 00:00:00.149692 Performance: 66.121 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-08 19:26:00,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346400 69280 60.296 -32459 6608.5 -39068 -39068 -0.0003143 -0.00053336 -0.00059051 6.0459e+05 2024-05-08 19:26:16,741 INFO [main.py:798]
{rank 0/64} MD step = 346500 step time: 00:00:00.152658 Performance: 66.123 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:26:21,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346500 69300 59.757 -32476 6549.4 -39026 -39026 5.7146e-05 -0.00048574 3.8097e-05 6.0477e+05 2024-05-08 19:26:39,198 INFO [main.py:798]
{rank 0/64} MD step = 346600 step time: 00:00:00.155225 Performance: 66.126 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:26:46,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346600 69320 60.187 -32513 6596.5 -39110 -39110 -0.0004286 -0.00049527 -0.00046669 6.0494e+05 2024-05-08 19:27:02,625 INFO [main.py:798]
{rank 0/64} MD step = 346700 step time: 00:00:00.147302 Performance: 66.128 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:27:08,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346700 69340 60.116 -32571 6588.8 -39160 -39160 -0.00050479 -0.00034288 -0.00048574 6.051e+05 2024-05-08 19:27:24,481 INFO [main.py:798]
{rank 0/64} MD step = 346800 step time: 00:00:00.151745 Performance: 66.131 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:27:31,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346800 69360 59.996 -32526 6575.6 -39101 -39101 -0.00024763 -6.667e-05 -0.00043812 6.0532e+05 2024-05-08 19:27:46,391 INFO [main.py:798]
{rank 0/64} MD step = 346900 step time: 00:00:00.143220 Performance: 66.134 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:27:54,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346900 69380 60.457 -32469 6626.1 -39095 -39095 -0.00023811 -0.00026668 -0.00057146 6.0548e+05 2024-05-08 19:28:09,714 INFO [main.py:798]
{rank 0/64} MD step = 347000 step time: 00:00:00.141677 Performance: 66.136 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:28:30,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347000 69400 59.504 -32644 6521.7 -39166 -39166 -9.5243e-06 -0.00048098 -0.00065718 6.0564e+05 2024-05-08 19:28:46,798 INFO [main.py:798]
{rank 0/64} MD step = 347100 step time: 00:00:00.149583 Performance: 66.128 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:28:53,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347100 69420 59.841 -32530 6558.7 -39088 -39088 -0.0001762 -3.8097e-05 -0.00053336 6.0582e+05 2024-05-08 19:29:09,305 INFO [main.py:798]
{rank 0/64} MD step = 347200 step time: 00:00:00.140820 Performance: 66.131 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:29:16,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347200 69440 58.931 -32696 6458.9 -39155 -39155 -0.00012144 -0.00026668 9.5243e-05 6.0599e+05 2024-05-08 19:29:32,155 INFO [main.py:798]
{rank 0/64} MD step = 347300 step time: 00:00:00.150818 Performance: 66.133 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:29:38,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347300 69460 59.305 -32686 6499.9 -39186 -39186 -0.00023811 7.6195e-05 -0.00049527 6.0613e+05 2024-05-08 19:29:54,400 INFO [main.py:798]
{rank 0/64} MD step = 347400 step time: 00:00:00.151778 Performance: 66.136 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:30:01,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347400 69480 60.229 -32616 6601.2 -39217 -39217 -5.7146e-05 -0.00051431 -3.8097e-05 6.0633e+05 2024-05-08 19:30:19,783 INFO [main.py:798]
{rank 0/64} MD step = 347500 step time: 00:00:00.158681 Performance: 66.136 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-08 19:30:25,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347500 69500 60.275 -32508 6606.2 -39114 -39114 -0.00026668 -0.00043812 -0.00064766 6.0655e+05 2024-05-08 19:30:41,063 INFO [main.py:798]
{rank 0/64} MD step = 347600 step time: 00:00:00.155079 Performance: 66.140 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:30:46,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347600 69520 60.033 -32499 6579.7 -39078 -39078 -0.00030478 0 -0.00032383 6.0672e+05 2024-05-08 19:31:03,008 INFO [main.py:798]
{rank 0/64} MD step = 347700 step time: 00:00:00.154792 Performance: 66.143 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:31:15,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 69540 59.356 -32664 6505.5 -39169 -39169 -0.00020954 -0.00028573 7.1433e-05 6.0688e+05 2024-05-08 19:31:30,596 INFO [main.py:798]
{rank 0/64} MD step = 347800 step time: 00:00:00.159379 Performance: 66.142 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:31:41,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347800 69560 60.987 -32444 6684.3 -39128 -39128 -0.00015239 -0.00053336 -0.00047622 6.0704e+05 2024-05-08 19:31:56,963 INFO [main.py:798]
{rank 0/64} MD step = 347900 step time: 00:00:00.150299 Performance: 66.142 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:32:03,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347900 69580 60.172 -32558 6595 -39153 -39153 -0.00028573 -5.7146e-05 -0.00018096 6.0721e+05 2024-05-08 19:32:19,712 INFO [main.py:798]
{rank 0/64} MD step = 348000 step time: 00:00:00.149919 Performance: 66.144 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:32:25,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348000 69600 59.251 -32727 6494 -39221 -39221 -0.00034288 -0.00028573 -0.00053336 6.0739e+05 2024-05-08 19:32:40,717 INFO [main.py:798]
{rank 0/64} MD step = 348100 step time: 00:00:00.155385 Performance: 66.148 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:32:46,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348100 69620 59.583 -32745 6530.3 -39275 -39275 -0.00020954 -0.00045717 -0.00047622 6.0755e+05 2024-05-08 19:33:02,629 INFO [main.py:798]
{rank 0/64} MD step = 348200 step time: 00:00:00.156649 Performance: 66.151 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:33:06,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348200 69640 60.028 -32586 6579.2 -39165 -39165 -0.00032383 -0.00054765 -0.00045717 6.0771e+05 2024-05-08 19:33:24,041 INFO [main.py:798]
{rank 0/64} MD step = 348300 step time: 00:00:00.157163 Performance: 66.154 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:33:30,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348300 69660 59.538 -32671 6525.4 -39197 -39197 -0.00011429 -0.00080005 -0.00055241 6.0785e+05 2024-05-08 19:33:46,691 INFO [main.py:798]
{rank 0/64} MD step = 348400 step time: 00:00:00.149332 Performance: 66.157 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:33:56,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348400 69680 59.204 -32756 6488.8 -39245 -39245 -0.00022858 -0.00048574 -0.00051431 6.08e+05 2024-05-08 19:34:13,555 INFO [main.py:798]
{rank 0/64} MD step = 348500 step time: 00:00:00.161273 Performance: 66.156 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:34:18,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348500 69700 60.307 -32480 6609.7 -39090 -39090 -0.0003905 -0.00050479 -0.00072385 6.0824e+05 2024-05-08 19:34:35,037 INFO [main.py:798]
{rank 0/64} MD step = 348600 step time: 00:00:00.169239 Performance: 66.160 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:34:40,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348600 69720 59.878 -32615 6562.7 -39178 -39178 -0.00020954 -0.00049527 -0.00064766 6.084e+05 2024-05-08 19:34:56,287 INFO [main.py:798]
{rank 0/64} MD step = 348700 step time: 00:00:00.154946 Performance: 66.163 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:35:01,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348700 69740 60.689 -32515 6651.6 -39167 -39167 -0.00030478 -0.00026668 -0.00060956 6.0855e+05 2024-05-08 19:35:18,102 INFO [main.py:798]
{rank 0/64} MD step = 348800 step time: 00:00:00.154280 Performance: 66.166 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:35:24,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348800 69760 60.348 -32541 6614.2 -39155 -39155 -0.00022858 -0.00051908 -9.0481e-05 6.0873e+05 2024-05-08 19:35:40,822 INFO [main.py:798]
{rank 0/64} MD step = 348900 step time: 00:00:00.143140 Performance: 66.169 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:35:45,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348900 69780 60.274 -32630 6606.1 -39236 -39236 -0.00053336 -0.00034288 0.00017144 6.0889e+05 2024-05-08 19:36:03,027 INFO [main.py:798]
{rank 0/64} MD step = 349000 step time: 00:00:00.148702 Performance: 66.172 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:36:09,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349000 69800 60.525 -32505 6633.6 -39138 -39138 -0.00022858 -0.00030954 -0.00047622 6.0904e+05 2024-05-08 19:36:24,976 INFO [main.py:798]
{rank 0/64} MD step = 349100 step time: 00:00:00.154724 Performance: 66.175 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 19:36:46,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349100 69820 60.235 -32613 6601.9 -39215 -39215 -0.00046669 -0.00056194 -9.5243e-05 6.0922e+05 2024-05-08 19:37:02,521 INFO [main.py:798]
{rank 0/64} MD step = 349200 step time: 00:00:00.158575 Performance: 66.167 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:37:12,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349200 69840 60.121 -32560 6589.3 -39150 -39150 -0.00022858 -0.0003143 -0.00056194 6.0938e+05 2024-05-08 19:37:29,021 INFO [main.py:798]
{rank 0/64} MD step = 349300 step time: 00:00:00.174186 Performance: 66.166 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:37:33,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349300 69860 59.433 -32572 6513.9 -39086 -39086 -2.8573e-05 -0.00036193 -0.00049527 6.0956e+05 2024-05-08 19:38:13,435 INFO [main.py:798]
{rank 0/64} MD step = 349400 step time: 00:00:00.137636 Performance: 66.153 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:38:35,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349400 69880 60.123 -32558 6589.6 -39147 -39147 -0.00041907 -0.0004286 -0.00019049 6.0973e+05 2024-05-08 19:38:51,294 INFO [main.py:798]
{rank 0/64} MD step = 349500 step time: 00:00:00.152368 Performance: 66.144 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:39:00,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349500 69900 60.681 -32467 6650.7 -39118 -39118 -0.00022382 -0.00047622 7.6195e-05 6.0992e+05 2024-05-08 19:39:16,504 INFO [main.py:798]
{rank 0/64} MD step = 349600 step time: 00:00:00.166410 Performance: 66.145 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:39:22,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349600 69920 60.02 -32623 6578.3 -39201 -39201 -9.5243e-05 -0.00050479 -0.00054289 6.1008e+05 2024-05-08 19:39:37,891 INFO [main.py:798]
{rank 0/64} MD step = 349700 step time: 00:00:00.152909 Performance: 66.149 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:39:44,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349700 69940 61.263 -32440 6714.5 -39154 -39154 -0.00045717 -0.00064766 -0.0006667 6.1028e+05 2024-05-08 19:40:00,732 INFO [main.py:798]
{rank 0/64} MD step = 349800 step time: 00:00:00.155456 Performance: 66.151 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:40:09,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349800 69960 59.721 -32698 6545.5 -39243 -39243 -0.00047622 -0.00061908 -0.00076671 6.1042e+05 2024-05-08 19:40:24,938 INFO [main.py:798]
{rank 0/64} MD step = 349900 step time: 00:00:00.151571 Performance: 66.152 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:40:30,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349900 69980 60.336 -32575 6612.9 -39188 -39188 -0.0003524 -0.00041907 -7.6195e-05 6.1063e+05 2024-05-08 19:40:46,636 INFO [main.py:798]
{rank 0/64} MD step = 350000 step time: 00:00:00.163772 Performance: 66.156 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-08 19:40:53,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350000 70000 59.717 -32546 6545.1 -39091 -39091 -0.00030478 -0.00030478 -0.0005286 6.1081e+05 2024-05-08 19:41:09,592 INFO [main.py:798]
{rank 0/64} MD step = 350100 step time: 00:00:00.152367 Performance: 66.158 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:41:15,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350100 70020 60.987 -32588 6684.3 -39272 -39272 -0.00053336 -0.00049527 -0.00028573 6.1098e+05 2024-05-08 19:41:31,644 INFO [main.py:798]
{rank 0/64} MD step = 350200 step time: 00:00:00.160110 Performance: 66.161 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:41:37,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350200 70040 60.072 -32603 6584 -39187 -39187 -0.00040002 -0.00040002 -0.00066194 6.1115e+05 2024-05-08 19:41:53,619 INFO [main.py:798]
{rank 0/64} MD step = 350300 step time: 00:00:00.161109 Performance: 66.164 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:42:02,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350300 70060 60.243 -32589 6602.7 -39191 -39191 -0.00038097 -0.00038097 -0.0006167 6.1132e+05 2024-05-08 19:42:18,557 INFO [main.py:798]
{rank 0/64} MD step = 350400 step time: 00:00:00.168368 Performance: 66.165 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:42:27,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350400 70080 59.569 -32745 6528.8 -39274 -39274 -0.0004905 -0.00059051 0 6.1148e+05 2024-05-08 19:42:43,267 INFO [main.py:798]
{rank 0/64} MD step = 350500 step time: 00:00:00.153129 Performance: 66.166 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:42:53,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350500 70100 60.217 -32583 6599.8 -39183 -39183 -0.00038097 -0.00068575 -0.00057146 6.1164e+05 2024-05-08 19:43:12,103 INFO [main.py:798]
{rank 0/64} MD step = 350600 step time: 00:00:00.142746 Performance: 66.164 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:43:25,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350600 70120 60.135 -32510 6590.9 -39101 -39101 -0.00013334 -0.00061908 -0.00058575 6.1185e+05 2024-05-08 19:43:41,863 INFO [main.py:798]
{rank 0/64} MD step = 350700 step time: 00:00:00.160487 Performance: 66.161 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:43:49,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350700 70140 60.271 -32624 6605.8 -39229 -39229 5.7146e-05 -0.00022858 -0.00062861 6.12e+05 2024-05-08 19:44:04,932 INFO [main.py:798]
{rank 0/64} MD step = 350800 step time: 00:00:00.162205 Performance: 66.163 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:44:12,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350800 70160 59.368 -32741 6506.8 -39247 -39247 -0.00049527 -0.00047622 -0.00064766 6.1216e+05 2024-05-08 19:44:28,072 INFO [main.py:798]
{rank 0/64} MD step = 350900 step time: 00:00:00.158483 Performance: 66.165 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:44:36,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350900 70180 60.101 -32571 6587.1 -39159 -39159 -0.00024763 -0.00023811 -0.00055479 6.1234e+05 2024-05-08 19:44:51,951 INFO [main.py:798]
{rank 0/64} MD step = 351000 step time: 00:00:00.153008 Performance: 66.167 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:44:57,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351000 70200 59.64 -32684 6536.6 -39220 -39220 -0.00040002 -0.00051431 -0.00071433 6.1252e+05 2024-05-08 19:45:13,546 INFO [main.py:798]
{rank 0/64} MD step = 351100 step time: 00:00:00.151803 Performance: 66.170 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:45:19,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351100 70220 59.516 -32553 6523 -39076 -39076 -0.00030478 -0.00050479 -0.00055241 6.1273e+05 2024-05-08 19:45:34,858 INFO [main.py:798]
{rank 0/64} MD step = 351200 step time: 00:00:00.163147 Performance: 66.174 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-08 19:45:41,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351200 70240 60.459 -32620 6626.3 -39246 -39246 -0.00032383 -0.0003905 -0.00041907 6.1287e+05 2024-05-08 19:45:57,477 INFO [main.py:798]
{rank 0/64} MD step = 351300 step time: 00:00:00.150093 Performance: 66.176 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 19:46:03,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351300 70260 59.803 -32522 6554.5 -39077 -39077 -0.00028573 -0.00047622 -0.0006667 6.1307e+05 2024-05-08 19:46:19,651 INFO [main.py:798]
{rank 0/64} MD step = 351400 step time: 00:00:00.155148 Performance: 66.179 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 19:46:26,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351400 70280 60.446 -32502 6625 -39127 -39127 -0.00013334 -0.00030478 -0.00043812 6.1324e+05 2024-05-08 19:46:42,505 INFO [main.py:798]
{rank 0/64} MD step = 351500 step time: 00:00:00.148356 Performance: 66.181 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 19:46:49,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351500 70300 59.848 -32541 6559.4 -39100 -39100 -0.00022858 -0.00030478 -0.00010477 6.134e+05 2024-05-08 19:47:05,176 INFO [main.py:798]
{rank 0/64} MD step = 351600 step time: 00:00:00.152908 Performance: 66.184 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 19:47:12,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351600 70320 59.991 -32492 6575.1 -39067 -39067 -0.00034288 -0.00041907 -0.00026668 6.136e+05 2024-05-08 19:47:28,476 INFO [main.py:798]
{rank 0/64} MD step = 351700 step time: 00:00:00.151623 Performance: 66.186 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 19:47:35,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351700 70340 59.245 -32709 6493.3 -39202 -39202 -0.00025716 -0.00049527 -0.00043812 6.1375e+05 2024-05-08 19:47:51,119 INFO [main.py:798]
{rank 0/64} MD step = 351800 step time: 00:00:00.153586 Performance: 66.188 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 19:47:56,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351800 70360 59.593 -32707 6531.4 -39239 -39239 -0.00039526 -0.00042383 0 6.1393e+05 2024-05-08 19:48:12,619 INFO [main.py:798]
{rank 0/64} MD step = 351900 step time: 00:00:00.161118 Performance: 66.192 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-08 19:48:18,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351900 70380 59.304 -32678 6499.8 -39178 -39178 -0.00068575 -0.00057146 -0.00059051 6.1409e+05 2024-05-08 19:48:35,128 INFO [main.py:798]
{rank 0/64} MD step = 352000 step time: 00:00:00.159328 Performance: 66.194 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-08 19:48:40,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352000 70400 59.713 -32663 6544.6 -39207 -39207 -0.00015239 -0.00045717 7.6195e-05 6.1428e+05 2024-05-08 19:48:56,095 INFO [main.py:798]
{rank 0/64} MD step = 352100 step time: 00:00:00.149212 Performance: 66.198 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-08 19:49:01,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352100 70420 60.813 -32413 6665.2 -39078 -39078 -0.00053336 -0.00022858 5.7146e-05 6.1447e+05 2024-05-08 19:49:18,369 INFO [main.py:798]
{rank 0/64} MD step = 352200 step time: 00:00:00.142937 Performance: 66.201 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-08 19:49:23,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352200 70440 59.372 -32755 6507.3 -39262 -39262 -0.00038097 -0.00046193 -0.00055241 6.1463e+05 2024-05-08 19:49:39,292 INFO [main.py:798]
{rank 0/64} MD step = 352300 step time: 00:00:00.167525 Performance: 66.205 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-08 19:49:45,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352300 70460 60.145 -32568 6591.9 -39160 -39160 -0.00045717 -0.00046669 -0.00045241 6.1478e+05 2024-05-08 19:50:00,986 INFO [main.py:798]
{rank 0/64} MD step = 352400 step time: 00:00:00.164995 Performance: 66.208 ns/day 0.362 hours/ns 3.831 steps/s 2024-05-08 19:50:10,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352400 70480 60.344 -32625 6613.8 -39239 -39239 3.8097e-05 -0.00049527 -0.00053336 6.1498e+05 2024-05-08 19:50:26,460 INFO [main.py:798]
{rank 0/64} MD step = 352500 step time: 00:00:00.164967 Performance: 66.208 ns/day 0.362 hours/ns 3.831 steps/s 2024-05-08 19:50:31,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352500 70500 60.466 -32673 6627.1 -39300 -39300 -0.00030478 -0.00043812 -0.00053336 6.151e+05 2024-05-08 19:50:46,982 INFO [main.py:798]
{rank 0/64} MD step = 352600 step time: 00:00:00.156946 Performance: 66.212 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 19:50:59,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352600 70520 60.151 -32623 6592.6 -39216 -39216 -0.00022858 -0.00040955 -0.00041907 6.1529e+05 2024-05-08 19:51:15,934 INFO [main.py:798]
{rank 0/64} MD step = 352700 step time: 00:00:00.165037 Performance: 66.210 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 19:51:23,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352700 70540 59.661 -32644 6539 -39183 -39183 0.00020954 -0.00041907 -0.00036193 6.1545e+05 2024-05-08 19:51:38,299 INFO [main.py:798]
{rank 0/64} MD step = 352800 step time: 00:00:00.155086 Performance: 66.213 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 19:51:51,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352800 70560 59.789 -32735 6552.9 -39288 -39288 -0.00057146 -0.00040002 -3.8097e-05 6.1559e+05 2024-05-08 19:52:07,314 INFO [main.py:798]
{rank 0/64} MD step = 352900 step time: 00:00:00.155641 Performance: 66.211 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 19:52:12,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352900 70580 60.315 -32631 6610.6 -39242 -39242 -0.00012858 -0.00040955 -0.0007048 6.1579e+05 2024-05-08 19:52:27,905 INFO [main.py:798]
{rank 0/64} MD step = 353000 step time: 00:00:00.168930 Performance: 66.215 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 19:52:33,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353000 70600 61.072 -32511 6693.6 -39204 -39204 0.00011429 -0.00060956 -0.00076195 6.1596e+05 2024-05-08 19:52:49,220 INFO [main.py:798]
{rank 0/64} MD step = 353100 step time: 00:00:00.155388 Performance: 66.218 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 19:52:54,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353100 70620 61.052 -32575 6691.4 -39267 -39267 -0.00028573 -0.00080005 -5.7146e-05 6.1613e+05 2024-05-08 19:53:09,950 INFO [main.py:798]
{rank 0/64} MD step = 353200 step time: 00:00:00.154319 Performance: 66.222 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 19:53:17,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353200 70640 61.4 -32466 6729.5 -39196 -39196 -0.00022858 -0.00038097 -0.00075242 6.1631e+05 2024-05-08 19:53:32,373 INFO [main.py:798]
{rank 0/64} MD step = 353300 step time: 00:00:00.149466 Performance: 66.225 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-08 19:53:39,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353300 70660 59.383 -32620 6508.4 -39129 -39129 -0.00032383 -0.0006667 -0.00046669 6.1652e+05 2024-05-08 19:53:55,042 INFO [main.py:798]
{rank 0/64} MD step = 353400 step time: 00:00:00.143067 Performance: 66.227 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:54:04,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353400 70680 59.978 -32661 6573.7 -39235 -39235 -0.00053336 -0.00064766 4.286e-05 6.1666e+05 2024-05-08 19:54:21,099 INFO [main.py:798]
{rank 0/64} MD step = 353500 step time: 00:00:00.142396 Performance: 66.227 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:54:28,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353500 70700 60.723 -32586 6655.3 -39241 -39241 0.00011429 -0.00040478 -0.00060956 6.1685e+05 2024-05-08 19:54:44,770 INFO [main.py:798]
{rank 0/64} MD step = 353600 step time: 00:00:00.156238 Performance: 66.229 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:54:50,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353600 70720 59.637 -32505 6536.3 -39042 -39042 -0.00038097 -0.00032383 -0.00050479 6.1704e+05 2024-05-08 19:55:06,663 INFO [main.py:798]
{rank 0/64} MD step = 353700 step time: 00:00:00.139913 Performance: 66.232 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:55:16,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353700 70740 59.801 -32615 6554.3 -39170 -39170 -0.00055241 -0.00043812 -7.6195e-05 6.1718e+05 2024-05-08 19:55:31,757 INFO [main.py:798]
{rank 0/64} MD step = 353800 step time: 00:00:00.147108 Performance: 66.233 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:55:40,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353800 70760 59.947 -32554 6570.3 -39124 -39124 -0.00028573 -0.00043812 -0.00028573 6.1736e+05 2024-05-08 19:55:59,951 INFO [main.py:798]
{rank 0/64} MD step = 353900 step time: 00:00:00.162116 Performance: 66.231 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:56:10,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353900 70780 59.589 -32677 6531 -39208 -39208 -0.00026668 -0.00038097 -0.00051431 6.1751e+05 2024-05-08 19:56:25,901 INFO [main.py:798]
{rank 0/64} MD step = 354000 step time: 00:00:00.162120 Performance: 66.231 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:56:32,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354000 70800 59.058 -32717 6472.9 -39190 -39190 -0.00030478 -0.00044764 -0.00044288 6.177e+05 2024-05-08 19:56:48,616 INFO [main.py:798]
{rank 0/64} MD step = 354100 step time: 00:00:00.155756 Performance: 66.234 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:56:55,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354100 70820 60.069 -32553 6583.6 -39136 -39136 -0.00015239 -0.00040002 -0.0006667 6.1787e+05 2024-05-08 19:57:11,939 INFO [main.py:798]
{rank 0/64} MD step = 354200 step time: 00:00:00.150139 Performance: 66.236 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:57:18,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354200 70840 60.824 -32491 6666.4 -39157 -39157 -0.00025716 -0.00052384 -0.00060956 6.1803e+05 2024-05-08 19:57:34,237 INFO [main.py:798]
{rank 0/64} MD step = 354300 step time: 00:00:00.152564 Performance: 66.238 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:57:41,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354300 70860 60.776 -32567 6661.1 -39228 -39228 -6.1908e-05 -0.00033335 -0.00068575 6.1819e+05 2024-05-08 19:57:57,105 INFO [main.py:798]
{rank 0/64} MD step = 354400 step time: 00:00:00.167296 Performance: 66.241 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:58:06,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354400 70880 59.701 -32641 6543.3 -39184 -39184 -0.00038574 -0.00040002 -0.00038097 6.1835e+05 2024-05-08 19:58:24,232 INFO [main.py:798]
{rank 0/64} MD step = 354500 step time: 00:00:00.164005 Performance: 66.240 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:58:31,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354500 70900 60.362 -32650 6615.7 -39266 -39266 -0.00047622 -0.00045717 -0.00057146 6.1856e+05 2024-05-08 19:58:47,194 INFO [main.py:798]
{rank 0/64} MD step = 354600 step time: 00:00:00.171568 Performance: 66.242 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 19:58:54,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354600 70920 59.574 -32802 6529.4 -39331 -39331 -0.00049527 -0.00071433 -0.00040002 6.1872e+05 2024-05-08 19:59:09,393 INFO [main.py:798]
{rank 0/64} MD step = 354700 step time: 00:00:00.169646 Performance: 66.245 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 19:59:16,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354700 70940 59.939 -32480 6569.4 -39050 -39050 -0.00024763 -0.00024763 -0.00054289 6.1892e+05 2024-05-08 19:59:31,579 INFO [main.py:798]
{rank 0/64} MD step = 354800 step time: 00:00:00.150598 Performance: 66.248 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 19:59:38,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354800 70960 60.877 -32498 6672.2 -39171 -39171 -0.00010477 -0.00027621 -0.00041907 6.1908e+05 2024-05-08 19:59:54,129 INFO [main.py:798]
{rank 0/64} MD step = 354900 step time: 00:00:00.155442 Performance: 66.250 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 20:00:05,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354900 70980 60.505 -32582 6631.5 -39213 -39213 -0.00045717 -0.00026668 -0.00045717 6.1925e+05 2024-05-08 20:00:21,792 INFO [main.py:798]
{rank 0/64} MD step = 355000 step time: 00:00:00.170515 Performance: 66.249 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 20:00:28,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355000 71000 59.44 -32662 6514.7 -39177 -39177 -0.00028573 -0.00041907 -0.00068575 6.1941e+05 2024-05-08 20:00:44,855 INFO [main.py:798]
{rank 0/64} MD step = 355100 step time: 00:00:00.155811 Performance: 66.251 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 20:00:52,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355100 71020 59.946 -32764 6570.2 -39334 -39334 -0.00011429 -0.000781 -0.00052146 6.196e+05 2024-05-08 20:01:08,263 INFO [main.py:798]
{rank 0/64} MD step = 355200 step time: 00:00:00.162405 Performance: 66.253 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 20:01:15,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355200 71040 59.567 -32682 6528.6 -39211 -39211 -0.00030478 -0.00041907 -0.00064766 6.198e+05 2024-05-08 20:01:31,426 INFO [main.py:798]
{rank 0/64} MD step = 355300 step time: 00:00:00.154593 Performance: 66.255 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 20:01:38,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355300 71060 60.352 -32461 6614.7 -39076 -39076 -0.00049527 -0.00051431 -0.00051431 6.1998e+05 2024-05-08 20:01:54,706 INFO [main.py:798]
{rank 0/64} MD step = 355400 step time: 00:00:00.153732 Performance: 66.257 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 20:02:01,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355400 71080 60.115 -32540 6588.7 -39128 -39128 -0.00046193 -0.00037145 -0.00036193 6.2017e+05 2024-05-08 20:02:17,975 INFO [main.py:798]
{rank 0/64} MD step = 355500 step time: 00:00:00.154090 Performance: 66.259 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-08 20:02:25,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355500 71100 59.886 -32620 6563.6 -39183 -39183 -0.00029525 -0.00054289 -0.00043812 6.2034e+05 2024-05-08 20:02:40,933 INFO [main.py:798]
{rank 0/64} MD step = 355600 step time: 00:00:00.154017 Performance: 66.261 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:02:50,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355600 71120 60.753 -32464 6658.6 -39122 -39122 -0.00058099 -8.5719e-05 -3.8097e-05 6.2053e+05 2024-05-08 20:03:06,585 INFO [main.py:798]
{rank 0/64} MD step = 355700 step time: 00:00:00.172614 Performance: 66.262 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:03:13,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355700 71140 59.332 -32530 6502.8 -39033 -39033 -0.00080957 -0.00051431 -0.0007429 6.2072e+05 2024-05-08 20:03:29,309 INFO [main.py:798]
{rank 0/64} MD step = 355800 step time: 00:00:00.156032 Performance: 66.264 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:03:36,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355800 71160 60.58 -32401 6639.6 -39041 -39041 -0.0003143 -0.00030478 -0.00011429 6.2094e+05 2024-05-08 20:03:51,958 INFO [main.py:798]
{rank 0/64} MD step = 355900 step time: 00:00:00.163302 Performance: 66.267 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:03:57,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355900 71180 60.113 -32436 6588.5 -39025 -39025 -0.00015239 -0.00040955 -7.6195e-05 6.211e+05 2024-05-08 20:04:14,523 INFO [main.py:798]
{rank 0/64} MD step = 356000 step time: 00:00:00.160288 Performance: 66.269 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:04:22,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356000 71200 59.474 -32642 6518.4 -39160 -39160 -0.00026668 -7.6195e-05 -0.00047622 6.2124e+05 2024-05-08 20:04:38,480 INFO [main.py:798]
{rank 0/64} MD step = 356100 step time: 00:00:00.158863 Performance: 66.271 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:04:45,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356100 71220 60.034 -32665 6579.8 -39245 -39245 -0.00037145 -0.00043812 -0.0006667 6.2142e+05 2024-05-08 20:05:05,558 INFO [main.py:798]
{rank 0/64} MD step = 356200 step time: 00:00:00.190396 Performance: 66.270 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:05:14,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356200 71240 59.394 -32606 6509.7 -39115 -39115 -0.00024763 9.5243e-05 -0.00046669 6.2161e+05 2024-05-08 20:05:30,441 INFO [main.py:798]
{rank 0/64} MD step = 356300 step time: 00:00:00.164532 Performance: 66.271 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:05:36,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356300 71260 59.789 -32529 6553 -39082 -39082 -0.00041907 -0.00040955 -0.00028573 6.2178e+05 2024-05-08 20:05:52,826 INFO [main.py:798]
{rank 0/64} MD step = 356400 step time: 00:00:00.165449 Performance: 66.273 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:05:58,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356400 71280 60.716 -32443 6654.5 -39097 -39097 -0.00036669 -0.00053336 -0.0007048 6.2196e+05 2024-05-08 20:06:13,749 INFO [main.py:798]
{rank 0/64} MD step = 356500 step time: 00:00:00.162202 Performance: 66.277 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-08 20:06:19,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356500 71300 59.946 -32567 6570.2 -39137 -39137 -0.00049527 -0.00065242 -0.00017144 6.2213e+05 2024-05-08 20:06:35,307 INFO [main.py:798]
{rank 0/64} MD step = 356600 step time: 00:00:00.153509 Performance: 66.280 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:06:41,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356600 71320 60.404 -32550 6620.4 -39170 -39170 -0.00020954 -0.00046193 -0.00028573 6.223e+05 2024-05-08 20:06:56,762 INFO [main.py:798]
{rank 0/64} MD step = 356700 step time: 00:00:00.169267 Performance: 66.284 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:07:04,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356700 71340 59.639 -32540 6536.5 -39076 -39076 -0.00028573 -0.0003905 -0.00068575 6.2248e+05 2024-05-08 20:07:19,293 INFO [main.py:798]
{rank 0/64} MD step = 356800 step time: 00:00:00.165240 Performance: 66.286 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:07:26,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356800 71360 60.375 -32513 6617.1 -39130 -39130 -0.00045717 -0.00072385 -0.00041907 6.2265e+05 2024-05-08 20:07:41,271 INFO [main.py:798]
{rank 0/64} MD step = 356900 step time: 00:00:00.157031 Performance: 66.289 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:07:56,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356900 71380 60.381 -32499 6617.9 -39117 -39117 -0.00024763 -0.00045717 -0.0005286 6.2279e+05 2024-05-08 20:08:13,038 INFO [main.py:798]
{rank 0/64} MD step = 357000 step time: 00:00:00.160679 Performance: 66.285 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:08:20,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357000 71400 59.392 -32570 6509.4 -39079 -39079 -0.00040002 -0.00038097 -0.00045717 6.2299e+05 2024-05-08 20:08:36,190 INFO [main.py:798]
{rank 0/64} MD step = 357100 step time: 00:00:00.151410 Performance: 66.287 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:08:43,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357100 71420 61.001 -32502 6685.8 -39188 -39188 -0.00015239 -0.0004286 -0.00060956 6.2315e+05 2024-05-08 20:08:58,853 INFO [main.py:798]
{rank 0/64} MD step = 357200 step time: 00:00:00.150870 Performance: 66.289 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:09:06,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357200 71440 59.957 -32631 6571.4 -39202 -39202 -0.00026668 -0.00038097 -0.00064766 6.2334e+05 2024-05-08 20:09:21,853 INFO [main.py:798]
{rank 0/64} MD step = 357300 step time: 00:00:00.143622 Performance: 66.292 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:09:28,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357300 71460 60.165 -32635 6594.2 -39229 -39229 -0.00021906 -0.00024763 -0.00064766 6.2347e+05 2024-05-08 20:09:44,012 INFO [main.py:798]
{rank 0/64} MD step = 357400 step time: 00:00:00.150934 Performance: 66.294 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 20:09:53,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357400 71480 59.379 -32673 6508 -39181 -39181 -0.00038097 -0.00048574 -0.00045717 6.2365e+05 2024-05-08 20:10:08,989 INFO [main.py:798]
{rank 0/64} MD step = 357500 step time: 00:00:00.159309 Performance: 66.295 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-08 20:10:14,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357500 71500 59.029 -32772 6469.6 -39242 -39242 0.00015239 -0.00053336 5.7146e-05 6.2381e+05 2024-05-08 20:10:30,129 INFO [main.py:798]
{rank 0/64} MD step = 357600 step time: 00:00:00.154734 Performance: 66.299 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-08 20:10:36,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357600 71520 59.694 -32702 6542.6 -39245 -39245 1.4287e-05 -0.00021906 1.9049e-05 6.2397e+05 2024-05-08 20:10:52,243 INFO [main.py:798]
{rank 0/64} MD step = 357700 step time: 00:00:00.164349 Performance: 66.301 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-08 20:10:59,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357700 71540 60.997 -32456 6685.3 -39141 -39141 -0.0001762 -0.00032383 -0.00056194 6.2414e+05 2024-05-08 20:11:14,794 INFO [main.py:798]
{rank 0/64} MD step = 357800 step time: 00:00:00.163828 Performance: 66.304 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-08 20:11:19,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357800 71560 60.095 -32601 6586.5 -39187 -39187 -0.00034288 -0.00051431 -0.00045241 6.2433e+05 2024-05-08 20:11:37,333 INFO [main.py:798]
{rank 0/64} MD step = 357900 step time: 00:00:00.163894 Performance: 66.306 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-08 20:11:42,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357900 71580 59.822 -32646 6556.6 -39203 -39203 -0.00011429 -0.00045717 -0.00057146 6.245e+05 2024-05-08 20:11:58,841 INFO [main.py:798]
{rank 0/64} MD step = 358000 step time: 00:00:00.167299 Performance: 66.310 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-08 20:12:05,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358000 71600 60.499 -32495 6630.8 -39126 -39126 -0.00015239 -0.00010477 -0.00036193 6.2468e+05 2024-05-08 20:12:21,152 INFO [main.py:798]
{rank 0/64} MD step = 358100 step time: 00:00:00.171079 Performance: 66.312 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-08 20:12:28,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358100 71620 60.764 -32462 6659.8 -39122 -39122 -0.00028573 -0.00030478 -0.00032383 6.2485e+05 2024-05-08 20:12:43,980 INFO [main.py:798]
{rank 0/64} MD step = 358200 step time: 00:00:00.169883 Performance: 66.315 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-08 20:12:50,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358200 71640 59.825 -32682 6556.8 -39239 -39239 -0.00052384 -0.00022382 -0.0003524 6.25e+05 2024-05-08 20:13:06,976 INFO [main.py:798]
{rank 0/64} MD step = 358300 step time: 00:00:00.163487 Performance: 66.317 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-08 20:13:12,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358300 71660 59.768 -32754 6550.6 -39305 -39305 -0.00053336 -0.00037383 -0.0003905 6.2517e+05 2024-05-08 20:13:28,128 INFO [main.py:798]
{rank 0/64} MD step = 358400 step time: 00:00:00.167919 Performance: 66.320 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-08 20:13:34,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358400 71680 59.765 -32618 6550.3 -39168 -39168 -0.00017144 -0.00036193 -0.00030478 6.2536e+05 2024-05-08 20:13:50,244 INFO [main.py:798]
{rank 0/64} MD step = 358500 step time: 00:00:00.153986 Performance: 66.323 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-08 20:13:56,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358500 71700 60.217 -32606 6599.9 -39206 -39206 -3.8097e-05 -0.00047622 -0.00071433 6.2552e+05 2024-05-08 20:14:13,558 INFO [main.py:798]
{rank 0/64} MD step = 358600 step time: 00:00:00.162611 Performance: 66.325 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-08 20:14:20,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358600 71720 61.346 -32526 6723.6 -39250 -39250 -0.00034288 -0.00048574 -0.00059051 6.2567e+05 2024-05-08 20:14:36,643 INFO [main.py:798]
{rank 0/64} MD step = 358700 step time: 00:00:00.165899 Performance: 66.327 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-08 20:14:40,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358700 71740 60.606 -32434 6642.5 -39076 -39076 -0.00019049 -0.00045717 -0.00043812 6.2586e+05 2024-05-08 20:14:57,092 INFO [main.py:798]
{rank 0/64} MD step = 358800 step time: 00:00:00.161151 Performance: 66.331 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:15:03,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358800 71760 60.273 -32488 6606 -39094 -39094 -0.00053336 -0.00060003 -0.00049527 6.2602e+05 2024-05-08 20:15:19,705 INFO [main.py:798]
{rank 0/64} MD step = 358900 step time: 00:00:00.151274 Performance: 66.334 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:15:27,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358900 71780 59.418 -32653 6512.3 -39165 -39165 -0.00053336 -0.00055241 -0.00030478 6.2618e+05 2024-05-08 20:15:43,003 INFO [main.py:798]
{rank 0/64} MD step = 359000 step time: 00:00:00.150595 Performance: 66.336 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:15:49,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359000 71800 59.345 -32574 6504.3 -39078 -39078 -0.00029049 -0.00040002 -0.00012858 6.2636e+05 2024-05-08 20:16:05,283 INFO [main.py:798]
{rank 0/64} MD step = 359100 step time: 00:00:00.162185 Performance: 66.338 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:16:10,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359100 71820 60.153 -32560 6592.8 -39152 -39152 -0.00045717 -0.0007429 -2.8573e-05 6.2656e+05 2024-05-08 20:16:26,882 INFO [main.py:798]
{rank 0/64} MD step = 359200 step time: 00:00:00.155174 Performance: 66.341 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:16:34,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359200 71840 58.732 -32708 6437.1 -39145 -39145 -0.00017144 -0.00045717 -0.00041907 6.2673e+05 2024-05-08 20:16:50,103 INFO [main.py:798]
{rank 0/64} MD step = 359300 step time: 00:00:00.154844 Performance: 66.343 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:16:57,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359300 71860 60.117 -32491 6588.9 -39080 -39080 -0.00026668 -0.00020954 -0.00038097 6.2691e+05 2024-05-08 20:17:15,071 INFO [main.py:798]
{rank 0/64} MD step = 359400 step time: 00:00:00.157101 Performance: 66.344 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:17:22,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359400 71880 60.564 -32578 6637.9 -39216 -39216 -0.00036193 -0.00041907 -0.00062861 6.2706e+05 2024-05-08 20:17:39,370 INFO [main.py:798]
{rank 0/64} MD step = 359500 step time: 00:00:00.159007 Performance: 66.345 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:17:46,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359500 71900 60.077 -32526 6584.5 -39111 -39111 -0.00032859 -0.00049527 9.5243e-05 6.2728e+05 2024-05-08 20:18:01,901 INFO [main.py:798]
{rank 0/64} MD step = 359600 step time: 00:00:00.155580 Performance: 66.348 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:18:08,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359600 71920 60.06 -32666 6582.7 -39248 -39248 -0.00026668 -0.00022858 -0.00043812 6.2739e+05 2024-05-08 20:18:24,041 INFO [main.py:798]
{rank 0/64} MD step = 359700 step time: 00:00:00.158603 Performance: 66.351 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:18:34,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359700 71940 59.728 -32556 6546.3 -39103 -39103 -7.6195e-05 -0.00027621 -0.00075719 6.2759e+05 2024-05-08 20:18:49,922 INFO [main.py:798]
{rank 0/64} MD step = 359800 step time: 00:00:00.148217 Performance: 66.351 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:19:05,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359800 71960 60.383 -32517 6618.1 -39135 -39135 -0.00023335 -0.00038097 -0.00052384 6.2772e+05 2024-05-08 20:19:23,278 INFO [main.py:798]
{rank 0/64} MD step = 359900 step time: 00:00:00.150974 Performance: 66.346 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-08 20:19:29,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359900 71980 60.45 -32475 6625.4 -39100 -39100 -0.00049527 -0.00026668 -0.00017144 6.2789e+05 2024-05-08 20:19:45,165 INFO [main.py:798]
{rank 0/64} MD step = 360000 step time: 00:00:00.147626 Performance: 66.348 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:19:52,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360000 72000 60.876 -32528 6672 -39200 -39200 -0.00044288 -0.00057146 -0.00034288 6.2804e+05 2024-05-08 20:20:08,598 INFO [main.py:798]
{rank 0/64} MD step = 360100 step time: 00:00:00.147541 Performance: 66.350 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:20:15,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360100 72020 60.124 -32489 6589.7 -39079 -39079 -0.00011429 -0.00049527 -0.00080005 6.2823e+05 2024-05-08 20:20:31,372 INFO [main.py:798]
{rank 0/64} MD step = 360200 step time: 00:00:00.157691 Performance: 66.353 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:20:38,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360200 72040 59.916 -32705 6566.9 -39272 -39272 -0.00011429 -0.00062384 -0.00028573 6.2836e+05 2024-05-08 20:20:54,621 INFO [main.py:798]
{rank 0/64} MD step = 360300 step time: 00:00:00.154764 Performance: 66.355 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:21:01,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360300 72060 60.951 -32465 6680.3 -39146 -39146 -0.00034288 -0.00034288 -0.00022858 6.2855e+05 2024-05-08 20:21:17,235 INFO [main.py:798]
{rank 0/64} MD step = 360400 step time: 00:00:00.142015 Performance: 66.357 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:21:24,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360400 72080 59.861 -32716 6560.8 -39276 -39276 -0.00033335 -0.00040002 -0.00059051 6.2868e+05 2024-05-08 20:21:43,074 INFO [main.py:798]
{rank 0/64} MD step = 360500 step time: 00:00:00.142822 Performance: 66.357 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:21:49,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360500 72100 59.351 -32676 6504.9 -39181 -39181 -0.0003905 -0.00051908 -0.00057146 6.2888e+05 2024-05-08 20:22:05,531 INFO [main.py:798]
{rank 0/64} MD step = 360600 step time: 00:00:00.177044 Performance: 66.360 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:22:18,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360600 72120 60.361 -32563 6615.6 -39179 -39179 0.00020954 -3.8097e-05 -0.00051431 6.2903e+05 2024-05-08 20:22:34,654 INFO [main.py:798]
{rank 0/64} MD step = 360700 step time: 00:00:00.151994 Performance: 66.358 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:22:39,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360700 72140 60.503 -32584 6631.2 -39215 -39215 -0.00013334 -0.0007429 -0.00076195 6.2921e+05 2024-05-08 20:22:56,832 INFO [main.py:798]
{rank 0/64} MD step = 360800 step time: 00:00:00.157361 Performance: 66.360 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-08 20:23:02,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360800 72160 59.934 -32511 6568.8 -39080 -39080 -0.00024763 -0.00047622 -1.9049e-05 6.2941e+05 2024-05-08 20:23:17,529 INFO [main.py:798]
{rank 0/64} MD step = 360900 step time: 00:00:00.150327 Performance: 66.364 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:23:23,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360900 72180 59.554 -32538 6527.2 -39066 -39066 -0.00027144 -0.00045717 -0.00057146 6.2961e+05 2024-05-08 20:23:39,516 INFO [main.py:798]
{rank 0/64} MD step = 361000 step time: 00:00:00.141271 Performance: 66.367 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:23:43,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361000 72200 59.794 -32483 6553.6 -39036 -39036 -0.00028573 -0.00058575 0.00020954 6.298e+05 2024-05-08 20:24:01,295 INFO [main.py:798]
{rank 0/64} MD step = 361100 step time: 00:00:00.164608 Performance: 66.370 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:24:08,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361100 72220 60.298 -32629 6608.7 -39237 -39237 -0.00034288 -0.00034288 -0.00076195 6.2998e+05 2024-05-08 20:24:25,842 INFO [main.py:798]
{rank 0/64} MD step = 361200 step time: 00:00:00.155346 Performance: 66.371 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:24:35,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361200 72240 59.311 -32604 6500.5 -39104 -39104 -0.00049527 -0.00060956 -0.0006667 6.3018e+05 2024-05-08 20:24:50,187 INFO [main.py:798]
{rank 0/64} MD step = 361300 step time: 00:00:00.155793 Performance: 66.372 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:24:58,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361300 72260 60.276 -32540 6606.4 -39146 -39146 -0.00030478 -0.00032383 -0.00061908 6.3034e+05 2024-05-08 20:25:16,888 INFO [main.py:798]
{rank 0/64} MD step = 361400 step time: 00:00:00.156527 Performance: 66.372 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:25:31,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361400 72280 60.443 -32490 6624.6 -39115 -39115 -0.00018811 -0.00026668 -0.00017144 6.305e+05 2024-05-08 20:25:46,244 INFO [main.py:798]
{rank 0/64} MD step = 361500 step time: 00:00:00.150951 Performance: 66.369 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:25:55,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361500 72300 59.974 -32566 6573.3 -39139 -39139 -0.00052384 -0.00043812 -0.00053336 6.3069e+05 2024-05-08 20:26:11,463 INFO [main.py:798]
{rank 0/64} MD step = 361600 step time: 00:00:00.152174 Performance: 66.370 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:26:17,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361600 72320 60.594 -32452 6641.1 -39094 -39094 -0.00029049 -0.00038097 -0.00022382 6.3085e+05 2024-05-08 20:26:32,247 INFO [main.py:798]
{rank 0/64} MD step = 361700 step time: 00:00:00.135574 Performance: 66.374 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:26:38,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361700 72340 60.536 -32532 6634.9 -39167 -39167 -0.00040955 -0.00055241 -0.00030478 6.3103e+05 2024-05-08 20:26:54,653 INFO [main.py:798]
{rank 0/64} MD step = 361800 step time: 00:00:00.150996 Performance: 66.376 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:27:02,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361800 72360 59.532 -32746 6524.8 -39271 -39271 -0.00019049 -0.00026668 -0.00011429 6.3118e+05 2024-05-08 20:27:18,562 INFO [main.py:798]
{rank 0/64} MD step = 361900 step time: 00:00:00.156595 Performance: 66.378 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:27:25,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361900 72380 60.104 -32605 6587.4 -39193 -39193 -0.0003524 -0.00038097 -0.00049527 6.3138e+05 2024-05-08 20:27:41,134 INFO [main.py:798]
{rank 0/64} MD step = 362000 step time: 00:00:00.155591 Performance: 66.380 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:27:50,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362000 72400 60.817 -32518 6665.6 -39184 -39184 -0.00025716 -0.00043812 -0.00055241 6.3156e+05 2024-05-08 20:28:06,368 INFO [main.py:798]
{rank 0/64} MD step = 362100 step time: 00:00:00.140595 Performance: 66.381 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-08 20:28:14,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362100 72420 59.666 -32623 6539.5 -39162 -39162 -0.00036193 -0.00072385 -0.00043812 6.3174e+05 2024-05-08 20:28:30,763 INFO [main.py:798]
{rank 0/64} MD step = 362200 step time: 00:00:00.155622 Performance: 66.382 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 20:28:36,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362200 72440 59.7 -32611 6543.2 -39154 -39154 -0.000781 -0.00047622 -0.00011429 6.3191e+05 2024-05-08 20:28:53,060 INFO [main.py:798]
{rank 0/64} MD step = 362300 step time: 00:00:00.152809 Performance: 66.384 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 20:28:58,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362300 72460 59.855 -32566 6560.2 -39126 -39126 -0.00027144 -0.00040002 -0.00059051 6.3208e+05 2024-05-08 20:29:14,133 INFO [main.py:798]
{rank 0/64} MD step = 362400 step time: 00:00:00.157200 Performance: 66.388 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 20:29:22,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362400 72480 60.415 -32501 6621.6 -39122 -39122 -0.00047622 -0.00057146 -0.00037145 6.3223e+05 2024-05-08 20:29:38,739 INFO [main.py:798]
{rank 0/64} MD step = 362500 step time: 00:00:00.153873 Performance: 66.389 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-08 20:29:45,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362500 72500 60.739 -32630 6657.1 -39287 -39287 -0.00022858 -0.00027621 3.8097e-05 6.3238e+05 2024-05-08 20:30:01,104 INFO [main.py:798]
{rank 0/64} MD step = 362600 step time: 00:00:00.160775 Performance: 66.392 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-08 20:30:08,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362600 72520 59.632 -32587 6535.7 -39123 -39123 -0.00044764 -0.00053336 -0.00038097 6.3259e+05 2024-05-08 20:30:24,146 INFO [main.py:798]
{rank 0/64} MD step = 362700 step time: 00:00:00.164174 Performance: 66.394 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-08 20:30:32,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362700 72540 60.695 -32488 6652.2 -39140 -39140 -0.00024763 -0.00045717 -0.00087624 6.3275e+05 2024-05-08 20:30:47,476 INFO [main.py:798]
{rank 0/64} MD step = 362800 step time: 00:00:00.157624 Performance: 66.396 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-08 20:30:59,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362800 72560 59.529 -32592 6524.4 -39117 -39117 -0.00028573 -0.00041431 -0.00055241 6.3293e+05 2024-05-08 20:31:14,686 INFO [main.py:798]
{rank 0/64} MD step = 362900 step time: 00:00:00.158141 Performance: 66.395 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-08 20:31:20,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362900 72580 60.122 -32615 6589.5 -39204 -39204 -5.7146e-05 -0.00038097 -0.00055241 6.3309e+05 2024-05-08 20:31:35,638 INFO [main.py:798]
{rank 0/64} MD step = 363000 step time: 00:00:00.171637 Performance: 66.398 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-08 20:31:42,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363000 72600 60.467 -32546 6627.3 -39173 -39173 -0.00050479 -0.00028573 -0.00051431 6.3324e+05 2024-05-08 20:31:59,053 INFO [main.py:798]
{rank 0/64} MD step = 363100 step time: 00:00:00.161349 Performance: 66.400 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:32:06,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363100 72620 60.365 -32477 6616.1 -39093 -39093 -0.00026668 -0.00053336 1.9049e-05 6.3342e+05 2024-05-08 20:32:22,509 INFO [main.py:798]
{rank 0/64} MD step = 363200 step time: 00:00:00.162900 Performance: 66.402 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:32:29,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363200 72640 59.76 -32638 6549.8 -39188 -39188 9.5243e-05 -0.00058099 -0.00068575 6.3359e+05 2024-05-08 20:32:45,942 INFO [main.py:798]
{rank 0/64} MD step = 363300 step time: 00:00:00.156402 Performance: 66.404 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:32:51,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363300 72660 59.345 -32699 6504.3 -39204 -39204 0.00014287 -0.00044764 -0.00054289 6.3378e+05 2024-05-08 20:33:07,477 INFO [main.py:798]
{rank 0/64} MD step = 363400 step time: 00:00:00.159288 Performance: 66.407 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:33:16,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363400 72680 59.119 -32698 6479.5 -39178 -39178 -0.00015239 -0.00044764 -0.00048574 6.3395e+05 2024-05-08 20:33:32,741 INFO [main.py:798]
{rank 0/64} MD step = 363500 step time: 00:00:00.164029 Performance: 66.407 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:33:38,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363500 72700 59.599 -32631 6532.1 -39163 -39163 -0.00051431 -0.00026668 -0.00063337 6.3416e+05 2024-05-08 20:33:54,871 INFO [main.py:798]
{rank 0/64} MD step = 363600 step time: 00:00:00.163051 Performance: 66.410 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:34:03,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363600 72720 60.471 -32626 6627.7 -39253 -39253 -0.00022858 -0.00024763 -0.00054765 6.343e+05 2024-05-08 20:34:18,076 INFO [main.py:798]
{rank 0/64} MD step = 363700 step time: 00:00:00.156595 Performance: 66.412 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:34:24,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363700 72740 59.926 -32671 6568 -39239 -39239 -0.00034288 -0.00026668 0.00014287 6.3445e+05 2024-05-08 20:34:41,052 INFO [main.py:798]
{rank 0/64} MD step = 363800 step time: 00:00:00.156449 Performance: 66.414 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:34:51,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363800 72760 60.408 -32570 6620.8 -39190 -39190 -0.00041907 -0.00047622 -0.0008429 6.3463e+05 2024-05-08 20:35:06,558 INFO [main.py:798]
{rank 0/64} MD step = 363900 step time: 00:00:00.159729 Performance: 66.415 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-08 20:35:12,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363900 72780 60.307 -32544 6609.7 -39153 -39153 0.00053336 -0.00040002 -0.00056194 6.348e+05 2024-05-08 20:35:27,847 INFO [main.py:798]
{rank 0/64} MD step = 364000 step time: 00:00:00.162837 Performance: 66.418 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-08 20:35:33,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364000 72800 60.072 -32614 6584 -39198 -39198 -0.00010953 -0.00069528 -0.00051431 6.3496e+05 2024-05-08 20:35:49,819 INFO [main.py:798]
{rank 0/64} MD step = 364100 step time: 00:00:00.150882 Performance: 66.421 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-08 20:35:57,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364100 72820 59.455 -32754 6516.3 -39271 -39271 -0.00037145 -0.00068575 -0.0007048 6.3512e+05 2024-05-08 20:36:12,728 INFO [main.py:798]
{rank 0/64} MD step = 364200 step time: 00:00:00.159571 Performance: 66.423 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-08 20:36:19,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364200 72840 59.978 -32616 6573.6 -39190 -39190 -0.00034288 -0.00040002 -0.00040955 6.353e+05 2024-05-08 20:36:35,368 INFO [main.py:798]
{rank 0/64} MD step = 364300 step time: 00:00:00.157553 Performance: 66.425 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-08 20:36:39,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364300 72860 60.357 -32581 6615.2 -39197 -39197 -0.00019049 -0.00069528 -0.00024763 6.3552e+05 2024-05-08 20:36:57,182 INFO [main.py:798]
{rank 0/64} MD step = 364400 step time: 00:00:00.161596 Performance: 66.428 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-08 20:37:02,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364400 72880 59.862 -32699 6560.9 -39260 -39260 -0.00040955 -0.00030478 -0.00053336 6.3573e+05 2024-05-08 20:37:18,292 INFO [main.py:798]
{rank 0/64} MD step = 364500 step time: 00:00:00.164334 Performance: 66.432 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-08 20:37:26,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364500 72900 60.652 -32489 6647.5 -39137 -39137 -0.00040002 -0.00028573 -0.00055241 6.3596e+05 2024-05-08 20:37:44,087 INFO [main.py:798]
{rank 0/64} MD step = 364600 step time: 00:00:00.158390 Performance: 66.432 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-08 20:37:52,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364600 72920 59.605 -32517 6532.8 -39050 -39050 -0.00034288 -0.00034288 -0.00037145 6.3612e+05 2024-05-08 20:38:07,987 INFO [main.py:798]
{rank 0/64} MD step = 364700 step time: 00:00:00.166181 Performance: 66.433 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:38:15,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364700 72940 59.398 -32645 6510.1 -39155 -39155 -0.0003524 -0.00029525 -0.00021906 6.3631e+05 2024-05-08 20:38:31,111 INFO [main.py:798]
{rank 0/64} MD step = 364800 step time: 00:00:00.165874 Performance: 66.435 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:38:38,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364800 72960 60.195 -32525 6597.5 -39122 -39122 -0.00041431 -0.00021906 -0.00073337 6.3648e+05 2024-05-08 20:38:54,859 INFO [main.py:798]
{rank 0/64} MD step = 364900 step time: 00:00:00.167782 Performance: 66.437 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:39:00,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364900 72980 59.992 -32534 6575.2 -39109 -39109 -0.00020954 -0.00032383 -0.00060956 6.3666e+05 2024-05-08 20:39:16,017 INFO [main.py:798]
{rank 0/64} MD step = 365000 step time: 00:00:00.168614 Performance: 66.440 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:39:23,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365000 73000 60.593 -32439 6641.1 -39080 -39080 -0.00036193 -0.00049527 -0.00024763 6.3683e+05 2024-05-08 20:39:38,895 INFO [main.py:798]
{rank 0/64} MD step = 365100 step time: 00:00:00.160949 Performance: 66.443 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:39:45,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365100 73020 59.949 -32644 6570.5 -39215 -39215 -0.00049527 -0.0003143 -0.00057146 6.37e+05 2024-05-08 20:40:01,350 INFO [main.py:798]
{rank 0/64} MD step = 365200 step time: 00:00:00.166638 Performance: 66.445 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:40:07,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365200 73040 59.624 -32752 6534.9 -39287 -39287 -0.00044764 -0.00037145 -0.00062861 6.3717e+05 2024-05-08 20:40:22,449 INFO [main.py:798]
{rank 0/64} MD step = 365300 step time: 00:00:00.153262 Performance: 66.448 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:40:33,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365300 73060 60.289 -32541 6607.8 -39149 -39149 -0.0002524 -0.00019049 -0.00034288 6.3736e+05 2024-05-08 20:40:49,289 INFO [main.py:798]
{rank 0/64} MD step = 365400 step time: 00:00:00.159144 Performance: 66.448 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:40:54,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365400 73080 60.391 -32389 6618.9 -39008 -39008 -0.00029525 -0.00041907 -0.00054289 6.3755e+05 2024-05-08 20:41:10,807 INFO [main.py:798]
{rank 0/64} MD step = 365500 step time: 00:00:00.149942 Performance: 66.451 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:41:22,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365500 73100 60.923 -32500 6677.2 -39178 -39178 5.7146e-05 -0.00041907 -0.0007048 6.3769e+05 2024-05-08 20:41:37,874 INFO [main.py:798]
{rank 0/64} MD step = 365600 step time: 00:00:00.162869 Performance: 66.450 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:41:45,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365600 73120 59.967 -32545 6572.5 -39117 -39117 -0.00039526 -0.00024763 -0.00011429 6.3788e+05 2024-05-08 20:42:01,041 INFO [main.py:798]
{rank 0/64} MD step = 365700 step time: 00:00:00.160308 Performance: 66.452 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:42:08,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365700 73140 59.826 -32492 6557 -39049 -39049 -0.00038097 -0.00045241 -0.00060956 6.3806e+05 2024-05-08 20:42:23,736 INFO [main.py:798]
{rank 0/64} MD step = 365800 step time: 00:00:00.181176 Performance: 66.455 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:42:30,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365800 73160 60.304 -32650 6609.4 -39259 -39259 -0.00040002 -0.0004286 -0.00022858 6.3819e+05 2024-05-08 20:42:45,943 INFO [main.py:798]
{rank 0/64} MD step = 365900 step time: 00:00:00.155332 Performance: 66.457 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:42:50,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365900 73180 59.802 -32582 6554.4 -39136 -39136 -0.00018096 -0.0007429 -0.00047622 6.3841e+05 2024-05-08 20:43:07,931 INFO [main.py:798]
{rank 0/64} MD step = 366000 step time: 00:00:00.163128 Performance: 66.460 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:43:15,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366000 73200 61.495 -32418 6740 -39158 -39158 -0.00034288 -0.00047622 -3.8097e-05 6.3857e+05 2024-05-08 20:43:31,461 INFO [main.py:798]
{rank 0/64} MD step = 366100 step time: 00:00:00.183228 Performance: 66.462 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:43:36,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366100 73220 60.36 -32590 6615.5 -39205 -39205 -0.00025716 -0.00045717 -0.0007048 6.3877e+05 2024-05-08 20:43:53,816 INFO [main.py:798]
{rank 0/64} MD step = 366200 step time: 00:00:00.162228 Performance: 66.464 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:43:59,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366200 73240 59.851 -32542 6559.7 -39101 -39101 -0.00036193 -0.00041907 -0.00043812 6.3897e+05 2024-05-08 20:44:15,704 INFO [main.py:798]
{rank 0/64} MD step = 366300 step time: 00:00:00.157792 Performance: 66.467 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:44:24,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366300 73260 60.006 -32526 6576.7 -39103 -39103 -0.00030478 -0.00051431 -0.0004286 6.3914e+05 2024-05-08 20:44:44,788 INFO [main.py:798]
{rank 0/64} MD step = 366400 step time: 00:00:00.162572 Performance: 66.465 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:45:19,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366400 73280 59.837 -32640 6558.2 -39198 -39198 -0.00015239 -0.00038097 -0.00038574 6.3931e+05 2024-05-08 20:45:35,745 INFO [main.py:798]
{rank 0/64} MD step = 366500 step time: 00:00:00.159097 Performance: 66.448 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:45:42,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366500 73300 59.118 -32732 6479.4 -39211 -39211 -0.0003143 -0.0003524 -0.00051431 6.3947e+05 2024-05-08 20:45:58,420 INFO [main.py:798]
{rank 0/64} MD step = 366600 step time: 00:00:00.155687 Performance: 66.450 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-08 20:46:05,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366600 73320 59.646 -32687 6537.2 -39224 -39224 -0.00038097 -0.00034288 -3.8097e-05 6.3966e+05 2024-05-08 20:46:21,104 INFO [main.py:798]
{rank 0/64} MD step = 366700 step time: 00:00:00.154247 Performance: 66.452 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:46:28,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366700 73340 59.453 -32613 6516.2 -39129 -39129 -0.00032383 -0.00051431 -0.00047622 6.3983e+05 2024-05-08 20:46:44,726 INFO [main.py:798]
{rank 0/64} MD step = 366800 step time: 00:00:00.167370 Performance: 66.454 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:46:52,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366800 73360 59.055 -32725 6472.5 -39197 -39197 -0.00041907 -0.00034288 -0.0007429 6.4e+05 2024-05-08 20:47:07,467 INFO [main.py:798]
{rank 0/64} MD step = 366900 step time: 00:00:00.158222 Performance: 66.456 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:47:17,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366900 73380 60.331 -32487 6612.4 -39100 -39100 3.8097e-05 -0.00040002 -0.00049527 6.402e+05 2024-05-08 20:47:33,692 INFO [main.py:798]
{rank 0/64} MD step = 367000 step time: 00:00:00.160521 Performance: 66.456 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:47:39,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367000 73400 59.333 -32715 6503 -39218 -39218 -0.00041907 -0.00020954 -0.00055241 6.4036e+05 2024-05-08 20:47:56,741 INFO [main.py:798]
{rank 0/64} MD step = 367100 step time: 00:00:00.154935 Performance: 66.458 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:48:04,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367100 73420 59.797 -32481 6553.8 -39035 -39035 -0.00034288 -0.00047622 -0.00030478 6.4057e+05 2024-05-08 20:48:20,823 INFO [main.py:798]
{rank 0/64} MD step = 367200 step time: 00:00:00.145382 Performance: 66.459 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:48:29,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367200 73440 60.051 -32527 6581.6 -39109 -39109 -0.00034288 -0.00015239 -0.00050955 6.4073e+05 2024-05-08 20:48:45,612 INFO [main.py:798]
{rank 0/64} MD step = 367300 step time: 00:00:00.171651 Performance: 66.460 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:48:52,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367300 73460 60.119 -32648 6589.1 -39237 -39237 -0.00022858 -0.00028573 -0.00058099 6.4089e+05 2024-05-08 20:49:09,358 INFO [main.py:798]
{rank 0/64} MD step = 367400 step time: 00:00:00.143181 Performance: 66.462 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:49:13,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367400 73480 60.636 -32532 6645.8 -39178 -39178 -0.00022858 -0.0003524 -0.00043812 6.4109e+05 2024-05-08 20:49:35,531 INFO [main.py:798]
{rank 0/64} MD step = 367500 step time: 00:00:00.178487 Performance: 66.462 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:49:42,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367500 73500 60.797 -32522 6663.5 -39185 -39185 0.00038097 -0.00040002 -0.00063813 6.4129e+05 2024-05-08 20:49:58,387 INFO [main.py:798]
{rank 0/64} MD step = 367600 step time: 00:00:00.145495 Performance: 66.464 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:50:06,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367600 73520 59.54 -32548 6525.7 -39073 -39073 -0.00038097 -0.00050479 -0.0004286 6.4147e+05 2024-05-08 20:50:21,929 INFO [main.py:798]
{rank 0/64} MD step = 367700 step time: 00:00:00.154060 Performance: 66.466 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-08 20:50:27,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367700 73540 60.042 -32525 6580.6 -39106 -39106 -0.00038574 -0.00020001 -0.0003905 6.4164e+05 2024-05-08 20:50:43,311 INFO [main.py:798]
{rank 0/64} MD step = 367800 step time: 00:00:00.155366 Performance: 66.469 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 20:50:50,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367800 73560 60.241 -32534 6602.5 -39137 -39137 0.00017144 -7.6195e-05 -0.00049527 6.4182e+05 2024-05-08 20:51:06,126 INFO [main.py:798]
{rank 0/64} MD step = 367900 step time: 00:00:00.154505 Performance: 66.471 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 20:51:13,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367900 73580 59.592 -32679 6531.3 -39210 -39210 -0.00051431 -0.00038097 -0.00026668 6.42e+05 2024-05-08 20:51:29,938 INFO [main.py:798]
{rank 0/64} MD step = 368000 step time: 00:00:00.158909 Performance: 66.472 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 20:51:37,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368000 73600 59.754 -32681 6549.1 -39230 -39230 0.00026668 -0.00046669 -0.00036193 6.4216e+05 2024-05-08 20:51:54,283 INFO [main.py:798]
{rank 0/64} MD step = 368100 step time: 00:00:00.156492 Performance: 66.474 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 20:52:01,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368100 73620 60.414 -32465 6621.5 -39086 -39086 -0.00026668 -0.00020954 -0.00037145 6.4239e+05 2024-05-08 20:52:17,545 INFO [main.py:798]
{rank 0/64} MD step = 368200 step time: 00:00:00.159421 Performance: 66.476 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 20:52:24,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368200 73640 60.037 -32426 6580.1 -39006 -39006 -0.00023811 -0.00026668 -0.00062861 6.4255e+05 2024-05-08 20:52:40,864 INFO [main.py:798]
{rank 0/64} MD step = 368300 step time: 00:00:00.161984 Performance: 66.477 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 20:52:48,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368300 73660 59.837 -32610 6558.2 -39168 -39168 -0.00026192 -0.00036193 -0.00059051 6.427e+05 2024-05-08 20:53:03,792 INFO [main.py:798]
{rank 0/64} MD step = 368400 step time: 00:00:00.158576 Performance: 66.480 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 20:53:09,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368400 73680 59.384 -32685 6508.6 -39193 -39193 -0.00030478 -0.00048574 -0.00045717 6.4289e+05 2024-05-08 20:53:25,570 INFO [main.py:798]
{rank 0/64} MD step = 368500 step time: 00:00:00.189323 Performance: 66.482 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-08 20:53:31,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368500 73700 59.498 -32656 6521 -39177 -39177 -0.00026668 -0.0006667 -0.0007048 6.4305e+05 2024-05-08 20:53:47,481 INFO [main.py:798]
{rank 0/64} MD step = 368600 step time: 00:00:00.161174 Performance: 66.485 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:53:54,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368600 73720 60.295 -32556 6608.4 -39165 -39165 -0.00041907 -0.00032383 -0.00040002 6.4319e+05 2024-05-08 20:54:10,517 INFO [main.py:798]
{rank 0/64} MD step = 368700 step time: 00:00:00.154634 Performance: 66.487 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:54:16,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368700 73740 59.619 -32621 6534.4 -39155 -39155 -0.00027621 -0.00051431 -0.00072385 6.4333e+05 2024-05-08 20:54:32,667 INFO [main.py:798]
{rank 0/64} MD step = 368800 step time: 00:00:00.158979 Performance: 66.490 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:54:40,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368800 73760 58.889 -32688 6454.3 -39142 -39142 -0.0003143 -0.00015239 -0.00047622 6.4352e+05 2024-05-08 20:54:58,380 INFO [main.py:798]
{rank 0/64} MD step = 368900 step time: 00:00:00.162202 Performance: 66.490 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:55:05,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368900 73780 60.241 -32515 6602.5 -39117 -39117 -0.00032383 -0.00044764 -0.00031907 6.4371e+05 2024-05-08 20:55:20,537 INFO [main.py:798]
{rank 0/64} MD step = 369000 step time: 00:00:00.153354 Performance: 66.493 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:55:28,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369000 73800 60.488 -32658 6629.6 -39287 -39287 4.7622e-05 -0.00049527 -0.00072385 6.4386e+05 2024-05-08 20:55:44,016 INFO [main.py:798]
{rank 0/64} MD step = 369100 step time: 00:00:00.143204 Performance: 66.495 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:55:51,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369100 73820 59.838 -32538 6558.4 -39096 -39096 -0.00024763 -0.00024763 0 6.4409e+05 2024-05-08 20:56:07,622 INFO [main.py:798]
{rank 0/64} MD step = 369200 step time: 00:00:00.158228 Performance: 66.496 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:56:14,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369200 73840 59.931 -32590 6568.5 -39159 -39159 -0.00043812 -0.00040002 -0.00051431 6.4423e+05 2024-05-08 20:56:29,848 INFO [main.py:798]
{rank 0/64} MD step = 369300 step time: 00:00:00.158391 Performance: 66.499 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:56:36,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369300 73860 60.611 -32584 6643 -39227 -39227 -0.00026668 -0.0002524 -0.00053336 6.4441e+05 2024-05-08 20:56:52,639 INFO [main.py:798]
{rank 0/64} MD step = 369400 step time: 00:00:00.163468 Performance: 66.501 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-08 20:56:59,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369400 73880 60.757 -32497 6659 -39156 -39156 -0.00049527 -0.00059527 -0.00030478 6.4457e+05 2024-05-08 20:57:16,068 INFO [main.py:798]
{rank 0/64} MD step = 369500 step time: 00:00:00.154250 Performance: 66.503 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 20:57:23,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369500 73900 60.375 -32511 6617.2 -39128 -39128 0.00019049 -0.00037145 -0.0007429 6.4478e+05 2024-05-08 20:57:41,595 INFO [main.py:798]
{rank 0/64} MD step = 369600 step time: 00:00:00.155705 Performance: 66.503 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 20:57:46,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369600 73920 59.962 -32771 6571.9 -39343 -39343 1.9049e-05 -0.00026668 -0.00041907 6.4492e+05 2024-05-08 20:58:05,282 INFO [main.py:798]
{rank 0/64} MD step = 369700 step time: 00:00:00.172031 Performance: 66.505 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 20:58:12,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369700 73940 59.632 -32604 6535.7 -39139 -39139 -0.00048098 -0.00040002 -0.00015239 6.4511e+05 2024-05-08 20:58:27,374 INFO [main.py:798]
{rank 0/64} MD step = 369800 step time: 00:00:00.158291 Performance: 66.507 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 20:58:34,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369800 73960 60.19 -32517 6596.9 -39114 -39114 -0.00018572 -0.00041907 -0.00076195 6.4529e+05 2024-05-08 20:58:49,495 INFO [main.py:798]
{rank 0/64} MD step = 369900 step time: 00:00:00.165612 Performance: 66.510 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 20:59:04,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369900 73980 60.42 -32417 6622.1 -39039 -39039 -0.00043812 -0.00047622 -0.00041907 6.4544e+05 2024-05-08 20:59:20,206 INFO [main.py:798]
{rank 0/64} MD step = 370000 step time: 00:00:00.162378 Performance: 66.507 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 20:59:30,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370000 74000 59.716 -32559 6545 -39104 -39104 -0.00044288 -0.00030478 -0.00043812 6.456e+05 2024-05-08 20:59:45,811 INFO [main.py:798]
{rank 0/64} MD step = 370100 step time: 00:00:00.159336 Performance: 66.507 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 20:59:52,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370100 74020 59.983 -32616 6574.2 -39190 -39190 -0.00029525 -0.00036193 -0.00050479 6.4577e+05 2024-05-08 21:00:09,715 INFO [main.py:798]
{rank 0/64} MD step = 370200 step time: 00:00:00.153160 Performance: 66.509 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:00:17,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370200 74040 60.709 -32503 6653.8 -39157 -39157 -0.00022858 -0.00046669 -0.00045717 6.4594e+05 2024-05-08 21:00:33,248 INFO [main.py:798]
{rank 0/64} MD step = 370300 step time: 00:00:00.167915 Performance: 66.510 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:00:44,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370300 74060 60.555 -32548 6636.9 -39185 -39185 -6.667e-05 -0.0007048 -0.00030478 6.4612e+05 2024-05-08 21:01:02,920 INFO [main.py:798]
{rank 0/64} MD step = 370400 step time: 00:00:00.152313 Performance: 66.508 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:01:10,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370400 74080 60.088 -32565 6585.8 -39151 -39151 -0.00030478 -0.00030478 -0.00061432 6.463e+05 2024-05-08 21:01:27,290 INFO [main.py:798]
{rank 0/64} MD step = 370500 step time: 00:00:00.153457 Performance: 66.509 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:01:34,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370500 74100 59.553 -32563 6527 -39090 -39090 -0.00038097 -0.00045717 -0.00045717 6.4652e+05 2024-05-08 21:01:50,274 INFO [main.py:798]
{rank 0/64} MD step = 370600 step time: 00:00:00.144318 Performance: 66.511 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:01:56,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370600 74120 59.824 -32644 6556.7 -39201 -39201 -0.00036193 -0.00027144 -0.00043812 6.4666e+05 2024-05-08 21:02:12,865 INFO [main.py:798]
{rank 0/64} MD step = 370700 step time: 00:00:00.145014 Performance: 66.513 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:02:19,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370700 74140 59.477 -32825 6518.7 -39344 -39344 -0.00020954 -0.00051431 -0.00034288 6.4682e+05 2024-05-08 21:02:34,831 INFO [main.py:798]
{rank 0/64} MD step = 370800 step time: 00:00:00.142917 Performance: 66.516 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:02:41,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370800 74160 60.283 -32492 6607.1 -39099 -39099 -0.00020954 -0.00034288 -0.00057146 6.4704e+05 2024-05-08 21:02:59,539 INFO [main.py:798]
{rank 0/64} MD step = 370900 step time: 00:00:00.150507 Performance: 66.517 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:03:06,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370900 74180 59.761 -32665 6549.8 -39215 -39215 -9.5243e-05 -0.00055241 -0.00046669 6.4718e+05 2024-05-08 21:03:21,979 INFO [main.py:798]
{rank 0/64} MD step = 371000 step time: 00:00:00.152172 Performance: 66.519 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:03:28,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371000 74200 61.192 -32424 6706.7 -39131 -39131 -0.0004286 -0.00045717 -0.00059527 6.4741e+05 2024-05-08 21:03:44,510 INFO [main.py:798]
{rank 0/64} MD step = 371100 step time: 00:00:00.136137 Performance: 66.522 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:03:54,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371100 74220 60.156 -32633 6593.1 -39226 -39226 -0.0003143 -0.00026668 -0.00036193 6.4756e+05 2024-05-08 21:04:11,363 INFO [main.py:798]
{rank 0/64} MD step = 371200 step time: 00:00:00.139823 Performance: 66.521 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:04:25,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371200 74240 60.238 -32524 6602.2 -39126 -39126 0.00010477 -0.00059051 9.5243e-06 6.4774e+05 2024-05-08 21:04:45,417 INFO [main.py:798]
{rank 0/64} MD step = 371300 step time: 00:00:00.159795 Performance: 66.515 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:04:59,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371300 74260 59.655 -32742 6538.3 -39280 -39280 -0.00043812 -0.00048574 -0.00051431 6.479e+05 2024-05-08 21:05:14,727 INFO [main.py:798]
{rank 0/64} MD step = 371400 step time: 00:00:00.156683 Performance: 66.513 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:05:21,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371400 74280 60.452 -32626 6625.6 -39252 -39252 -0.00029525 -0.00038097 -0.00060003 6.4808e+05 2024-05-08 21:05:37,246 INFO [main.py:798]
{rank 0/64} MD step = 371500 step time: 00:00:00.147052 Performance: 66.516 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:05:44,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371500 74300 58.936 -32629 6459.5 -39088 -39088 -0.00014763 -0.00060003 -0.00068575 6.483e+05 2024-05-08 21:06:00,262 INFO [main.py:798]
{rank 0/64} MD step = 371600 step time: 00:00:00.159212 Performance: 66.518 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 21:06:07,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371600 74320 59.728 -32602 6546.3 -39149 -39149 -0.00033335 -0.0005167 0 6.4844e+05 2024-05-08 21:06:23,244 INFO [main.py:798]
{rank 0/64} MD step = 371700 step time: 00:00:00.158572 Performance: 66.520 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:06:30,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371700 74340 60.316 -32586 6610.7 -39197 -39197 -0.00049527 -0.00055241 -0.00050479 6.4863e+05 2024-05-08 21:06:47,034 INFO [main.py:798]
{rank 0/64} MD step = 371800 step time: 00:00:00.149205 Performance: 66.521 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:06:53,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371800 74360 59.962 -32702 6571.9 -39274 -39274 -0.00040002 -0.00064766 -0.00047622 6.4879e+05 2024-05-08 21:07:09,252 INFO [main.py:798]
{rank 0/64} MD step = 371900 step time: 00:00:00.143475 Performance: 66.524 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:07:16,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371900 74380 59.774 -32626 6551.3 -39178 -39178 -0.00034288 -0.00060956 -0.00049527 6.4897e+05 2024-05-08 21:07:32,254 INFO [main.py:798]
{rank 0/64} MD step = 372000 step time: 00:00:00.149279 Performance: 66.526 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:07:38,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372000 74400 60.188 -32598 6596.7 -39195 -39195 -0.00034288 -0.00074766 1.9049e-05 6.4916e+05 2024-05-08 21:07:55,917 INFO [main.py:798]
{rank 0/64} MD step = 372100 step time: 00:00:00.144551 Performance: 66.527 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:08:01,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372100 74420 60.112 -32623 6588.3 -39211 -39211 -0.00022858 -0.00034288 -0.00046193 6.4931e+05 2024-05-08 21:08:18,102 INFO [main.py:798]
{rank 0/64} MD step = 372200 step time: 00:00:00.149801 Performance: 66.530 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:08:24,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372200 74440 60.583 -32546 6640 -39186 -39186 -0.00049527 -0.00027621 -0.00055241 6.4949e+05 2024-05-08 21:08:40,929 INFO [main.py:798]
{rank 0/64} MD step = 372300 step time: 00:00:00.158632 Performance: 66.532 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:08:47,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372300 74460 60.118 -32587 6589 -39176 -39176 -0.00034288 -0.00028573 -0.00058813 6.4971e+05 2024-05-08 21:09:02,938 INFO [main.py:798]
{rank 0/64} MD step = 372400 step time: 00:00:00.170734 Performance: 66.535 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:09:13,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372400 74480 59.876 -32640 6562.5 -39202 -39202 -0.00034288 -0.00051431 -0.00057146 6.4987e+05 2024-05-08 21:09:28,330 INFO [main.py:798]
{rank 0/64} MD step = 372500 step time: 00:00:00.164929 Performance: 66.535 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:09:39,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372500 74500 60.048 -32534 6581.4 -39115 -39115 -0.00024763 -0.00022858 -0.00059051 6.5007e+05 2024-05-08 21:09:53,905 INFO [main.py:798]
{rank 0/64} MD step = 372600 step time: 00:00:00.156863 Performance: 66.536 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-08 21:10:00,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372600 74520 60.782 -32536 6661.8 -39198 -39198 0.00020954 -0.00036193 -0.00040002 6.502e+05 2024-05-08 21:10:16,135 INFO [main.py:798]
{rank 0/64} MD step = 372700 step time: 00:00:00.162560 Performance: 66.538 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:10:23,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372700 74540 59.458 -32669 6516.7 -39186 -39186 -0.00040002 -0.00034288 0.00011429 6.5038e+05 2024-05-08 21:10:39,014 INFO [main.py:798]
{rank 0/64} MD step = 372800 step time: 00:00:00.163011 Performance: 66.540 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:10:47,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372800 74560 60.331 -32446 6612.4 -39058 -39058 -0.00022858 -0.00028573 -0.00040002 6.5058e+05 2024-05-08 21:11:02,916 INFO [main.py:798]
{rank 0/64} MD step = 372900 step time: 00:00:00.163725 Performance: 66.542 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:11:10,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372900 74580 59.886 -32550 6563.6 -39114 -39114 -8.5719e-05 -0.00033335 -0.00056194 6.5074e+05 2024-05-08 21:11:27,689 INFO [main.py:798]
{rank 0/64} MD step = 373000 step time: 00:00:00.157171 Performance: 66.543 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:11:37,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373000 74600 59.5 -32680 6521.3 -39201 -39201 9.5243e-05 -0.00020001 -0.00057146 6.5088e+05 2024-05-08 21:11:52,892 INFO [main.py:798]
{rank 0/64} MD step = 373100 step time: 00:00:00.156093 Performance: 66.543 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:12:00,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373100 74620 60.345 -32488 6613.9 -39102 -39102 -0.00050479 -0.00047622 3.8097e-05 6.5109e+05 2024-05-08 21:12:16,355 INFO [main.py:798]
{rank 0/64} MD step = 373200 step time: 00:00:00.152767 Performance: 66.545 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:12:25,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373200 74640 59.68 -32574 6541 -39115 -39115 -0.00022858 -0.00038097 -0.00055241 6.5126e+05 2024-05-08 21:12:41,649 INFO [main.py:798]
{rank 0/64} MD step = 373300 step time: 00:00:00.150555 Performance: 66.545 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:12:53,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373300 74660 60.117 -32586 6588.9 -39175 -39175 -0.00037145 -8.5719e-05 -2.8573e-05 6.5146e+05 2024-05-08 21:13:07,906 INFO [main.py:798]
{rank 0/64} MD step = 373400 step time: 00:00:00.156872 Performance: 66.545 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:13:17,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373400 74680 60.284 -32336 6607.2 -38943 -38943 0.00010477 -0.00040002 -0.0003524 6.5165e+05 2024-05-08 21:13:33,095 INFO [main.py:798]
{rank 0/64} MD step = 373500 step time: 00:00:00.153384 Performance: 66.546 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:13:40,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373500 74700 60.41 -32452 6621.1 -39073 -39073 -0.00041907 -0.00049527 -0.00043812 6.5182e+05 2024-05-08 21:13:56,099 INFO [main.py:798]
{rank 0/64} MD step = 373600 step time: 00:00:00.151024 Performance: 66.548 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:14:02,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373600 74720 59.812 -32701 6555.5 -39256 -39256 9.5243e-05 -0.00043812 -0.00041907 6.5199e+05 2024-05-08 21:14:18,261 INFO [main.py:798]
{rank 0/64} MD step = 373700 step time: 00:00:00.150185 Performance: 66.550 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:14:27,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373700 74740 59.707 -32582 6543.9 -39126 -39126 -0.00051431 -0.00036193 3.8097e-05 6.5213e+05 2024-05-08 21:14:43,541 INFO [main.py:798]
{rank 0/64} MD step = 373800 step time: 00:00:00.161282 Performance: 66.551 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:14:49,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373800 74760 60.264 -32508 6605 -39113 -39113 0.00013334 -0.00049527 -0.0001381 6.5232e+05 2024-05-08 21:15:05,725 INFO [main.py:798]
{rank 0/64} MD step = 373900 step time: 00:00:00.167107 Performance: 66.553 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-08 21:15:11,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373900 74780 60.096 -32587 6586.5 -39174 -39174 -0.00038097 -0.00029049 -0.00037145 6.5245e+05 2024-05-08 21:15:27,338 INFO [main.py:798]
{rank 0/64} MD step = 374000 step time: 00:00:00.159958 Performance: 66.556 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 21:15:32,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374000 74800 59.069 -32670 6474 -39144 -39144 -0.00051431 -0.00058099 6.1908e-05 6.5262e+05 2024-05-08 21:15:49,403 INFO [main.py:798]
{rank 0/64} MD step = 374100 step time: 00:00:00.167017 Performance: 66.559 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 21:15:55,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374100 74820 59.313 -32732 6500.7 -39233 -39233 -0.00049527 -0.00058099 -0.00051431 6.5283e+05 2024-05-08 21:16:13,106 INFO [main.py:798]
{rank 0/64} MD step = 374200 step time: 00:00:00.165687 Performance: 66.560 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 21:16:18,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374200 74840 60.373 -32566 6617 -39183 -39183 -0.00030478 -0.00026668 -0.00055241 6.53e+05 2024-05-08 21:16:34,736 INFO [main.py:798]
{rank 0/64} MD step = 374300 step time: 00:00:00.159341 Performance: 66.563 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 21:16:42,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374300 74860 59.749 -32567 6548.6 -39115 -39115 -0.00024763 -0.00054289 -0.00076195 6.5321e+05 2024-05-08 21:16:58,950 INFO [main.py:798]
{rank 0/64} MD step = 374400 step time: 00:00:00.162196 Performance: 66.565 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 21:17:05,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374400 74880 60.396 -32512 6619.4 -39132 -39132 -0.00026668 -0.0004286 -0.00032383 6.5337e+05 2024-05-08 21:17:20,851 INFO [main.py:798]
{rank 0/64} MD step = 374500 step time: 00:00:00.152467 Performance: 66.567 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 21:17:26,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374500 74900 60.339 -32482 6613.2 -39095 -39095 -0.00030478 -0.00057146 -0.00076671 6.5354e+05 2024-05-08 21:17:42,999 INFO [main.py:798]
{rank 0/64} MD step = 374600 step time: 00:00:00.152571 Performance: 66.570 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 21:17:52,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374600 74920 60.39 -32613 6618.8 -39232 -39232 -0.00036193 -0.00053336 -0.00060956 6.5371e+05 2024-05-08 21:18:09,040 INFO [main.py:798]
{rank 0/64} MD step = 374700 step time: 00:00:00.158074 Performance: 66.570 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-08 21:18:14,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374700 74940 60.551 -32507 6636.5 -39144 -39144 -0.00047622 -0.0003905 -0.00047622 6.539e+05 2024-05-08 21:18:30,083 INFO [main.py:798]
{rank 0/64} MD step = 374800 step time: 00:00:00.163839 Performance: 66.573 ns/day 0.361 hours/ns 3.853 steps/s 2024-05-08 21:18:35,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374800 74960 59.782 -32590 6552.2 -39142 -39142 -0.00038097 -0.0007048 -0.00040955 6.541e+05 2024-05-08 21:18:51,939 INFO [main.py:798]
{rank 0/64} MD step = 374900 step time: 00:00:00.142610 Performance: 66.576 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 21:18:58,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374900 74980 60.165 -32559 6594.2 -39153 -39153 -0.00025716 -0.00043812 -3.8097e-05 6.5426e+05 2024-05-08 21:19:14,388 INFO [main.py:798]
{rank 0/64} MD step = 375000 step time: 00:00:00.158133 Performance: 66.579 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 21:19:20,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375000 75000 60.542 -32608 6635.5 -39244 -39244 -0.0001381 -0.00020477 -0.00038097 6.5442e+05 2024-05-08 21:19:37,688 INFO [main.py:798]
{rank 0/64} MD step = 375100 step time: 00:00:00.147424 Performance: 66.580 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 21:19:45,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375100 75020 60.45 -32538 6625.4 -39163 -39163 -0.00022858 -0.00072385 0.00011429 6.5461e+05 2024-05-08 21:20:01,358 INFO [main.py:798]
{rank 0/64} MD step = 375200 step time: 00:00:00.148772 Performance: 66.582 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 21:20:07,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375200 75040 60.381 -32594 6617.9 -39212 -39212 -0.00030478 -0.00045717 -0.00061908 6.5476e+05 2024-05-08 21:20:24,162 INFO [main.py:798]
{rank 0/64} MD step = 375300 step time: 00:00:00.155924 Performance: 66.584 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 21:20:30,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375300 75060 59.636 -32708 6536.2 -39244 -39244 0.00019049 -0.00043812 -0.00052384 6.5492e+05 2024-05-08 21:20:46,740 INFO [main.py:798]
{rank 0/64} MD step = 375400 step time: 00:00:00.151417 Performance: 66.586 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-08 21:20:52,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375400 75080 59.573 -32544 6529.3 -39073 -39073 0.00023811 -0.00060956 -0.00038097 6.5515e+05 2024-05-08 21:21:08,905 INFO [main.py:798]
{rank 0/64} MD step = 375500 step time: 00:00:00.144396 Performance: 66.589 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 21:21:15,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375500 75100 60.626 -32523 6644.7 -39168 -39168 -5.7146e-05 -0.00026668 0.00015239 6.5529e+05 2024-05-08 21:21:32,288 INFO [main.py:798]
{rank 0/64} MD step = 375600 step time: 00:00:00.143810 Performance: 66.591 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 21:21:39,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375600 75120 60.49 -32447 6629.8 -39077 -39077 -0.0004286 -0.00026668 -0.00038097 6.5549e+05 2024-05-08 21:21:56,419 INFO [main.py:798]
{rank 0/64} MD step = 375700 step time: 00:00:00.141893 Performance: 66.592 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 21:22:02,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375700 75140 60.367 -32536 6616.3 -39152 -39152 -0.00036193 -0.00027621 -9.5243e-06 6.5566e+05 2024-05-08 21:22:18,731 INFO [main.py:798]
{rank 0/64} MD step = 375800 step time: 00:00:00.152685 Performance: 66.594 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 21:22:23,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375800 75160 59.605 -32634 6532.8 -39167 -39167 -0.00049527 -0.00053336 -0.00038097 6.558e+05 2024-05-08 21:22:39,577 INFO [main.py:798]
{rank 0/64} MD step = 375900 step time: 00:00:00.160045 Performance: 66.598 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 21:22:45,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375900 75180 59.711 -32697 6544.4 -39241 -39241 -0.00041907 -0.00057146 -0.00041907 6.5596e+05 2024-05-08 21:23:01,799 INFO [main.py:798]
{rank 0/64} MD step = 376000 step time: 00:00:00.157353 Performance: 66.600 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 21:23:06,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376000 75200 60.729 -32426 6656 -39082 -39082 -7.6195e-05 -0.00043812 -0.00034288 6.5617e+05 2024-05-08 21:23:24,002 INFO [main.py:798]
{rank 0/64} MD step = 376100 step time: 00:00:00.158065 Performance: 66.603 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-08 21:23:29,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376100 75220 59.824 -32573 6556.8 -39129 -39129 -0.00032383 -0.00027621 -0.00051431 6.5635e+05 2024-05-08 21:23:44,925 INFO [main.py:798]
{rank 0/64} MD step = 376200 step time: 00:00:00.159652 Performance: 66.606 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 21:23:53,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376200 75240 59.648 -32535 6537.5 -39073 -39073 -5.7146e-05 -0.00017144 -0.00064766 6.5649e+05 2024-05-08 21:24:09,609 INFO [main.py:798]
{rank 0/64} MD step = 376300 step time: 00:00:00.150707 Performance: 66.607 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 21:24:16,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376300 75260 60.046 -32505 6581.1 -39086 -39086 -0.00026668 -0.00043812 7.6195e-05 6.5664e+05 2024-05-08 21:24:32,682 INFO [main.py:798]
{rank 0/64} MD step = 376400 step time: 00:00:00.162343 Performance: 66.609 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 21:24:38,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376400 75280 59.723 -32595 6545.7 -39141 -39141 -0.00014287 -0.00026668 -0.00072385 6.5683e+05 2024-05-08 21:24:54,507 INFO [main.py:798]
{rank 0/64} MD step = 376500 step time: 00:00:00.163148 Performance: 66.612 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 21:25:01,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376500 75300 60.969 -32486 6682.2 -39168 -39168 -0.00045717 -0.00038097 0.00012382 6.5702e+05 2024-05-08 21:25:17,937 INFO [main.py:798]
{rank 0/64} MD step = 376600 step time: 00:00:00.175239 Performance: 66.614 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 21:25:22,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376600 75320 60.504 -32548 6631.3 -39179 -39179 -0.00028573 -0.00053336 -0.00034288 6.572e+05 2024-05-08 21:25:38,571 INFO [main.py:798]
{rank 0/64} MD step = 376700 step time: 00:00:00.166221 Performance: 66.617 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 21:25:42,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376700 75340 60.005 -32574 6576.6 -39151 -39151 -0.00024763 -0.00037145 -0.00060956 6.5739e+05 2024-05-08 21:25:59,681 INFO [main.py:798]
{rank 0/64} MD step = 376800 step time: 00:00:00.158885 Performance: 66.621 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-08 21:26:05,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376800 75360 59.402 -32645 6510.6 -39156 -39156 -0.00028573 -0.00043812 -0.00026668 6.5755e+05 2024-05-08 21:26:21,137 INFO [main.py:798]
{rank 0/64} MD step = 376900 step time: 00:00:00.167895 Performance: 66.624 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:26:26,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376900 75380 60.347 -32531 6614.2 -39145 -39145 -0.00020001 -0.00044764 -3.8097e-05 6.5774e+05 2024-05-08 21:26:41,264 INFO [main.py:798]
{rank 0/64} MD step = 377000 step time: 00:00:00.145449 Performance: 66.628 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:26:49,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377000 75400 61.397 -32299 6729.2 -39028 -39028 -0.00051431 -0.00045717 -0.00055241 6.579e+05 2024-05-08 21:27:04,728 INFO [main.py:798]
{rank 0/64} MD step = 377100 step time: 00:00:00.140129 Performance: 66.629 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:27:09,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377100 75420 59.796 -32546 6553.7 -39100 -39100 -0.00015239 -0.00041907 -0.0004286 6.5808e+05 2024-05-08 21:27:26,144 INFO [main.py:798]
{rank 0/64} MD step = 377200 step time: 00:00:00.150829 Performance: 66.632 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:27:32,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377200 75440 59.048 -32582 6471.7 -39054 -39054 -0.00034288 -0.00047622 -0.00069528 6.5824e+05 2024-05-08 21:27:49,030 INFO [main.py:798]
{rank 0/64} MD step = 377300 step time: 00:00:00.148945 Performance: 66.635 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:27:54,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377300 75460 60.355 -32513 6615 -39128 -39128 -0.00030478 -0.00064766 -0.0007429 6.5842e+05 2024-05-08 21:28:12,800 INFO [main.py:798]
{rank 0/64} MD step = 377400 step time: 00:00:00.152157 Performance: 66.636 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:28:18,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377400 75480 60.311 -32593 6610.2 -39203 -39203 -0.00036193 -0.0004286 -0.00019049 6.586e+05 2024-05-08 21:28:34,914 INFO [main.py:798]
{rank 0/64} MD step = 377500 step time: 00:00:00.149794 Performance: 66.639 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:28:51,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377500 75500 59.916 -32579 6566.9 -39146 -39146 -0.00015715 -0.00048574 -8.5719e-05 6.5878e+05 2024-05-08 21:29:10,286 INFO [main.py:798]
{rank 0/64} MD step = 377600 step time: 00:00:00.139919 Performance: 66.632 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:29:17,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377600 75520 60.053 -32566 6581.9 -39148 -39148 0.00015239 -0.00041907 -0.00076195 6.5896e+05 2024-05-08 21:29:33,056 INFO [main.py:798]
{rank 0/64} MD step = 377700 step time: 00:00:00.158793 Performance: 66.634 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:29:40,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377700 75540 60.501 -32418 6631 -39049 -39049 -0.00030478 -0.00014287 -0.00076195 6.5915e+05 2024-05-08 21:29:56,319 INFO [main.py:798]
{rank 0/64} MD step = 377800 step time: 00:00:00.156520 Performance: 66.636 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:30:03,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377800 75560 59.713 -32546 6544.6 -39090 -39090 -0.00025716 -0.00048098 0.00016191 6.5936e+05 2024-05-08 21:30:20,443 INFO [main.py:798]
{rank 0/64} MD step = 377900 step time: 00:00:00.148934 Performance: 66.637 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:30:27,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377900 75580 60.452 -32423 6625.6 -39049 -39049 -0.00038097 -0.00020954 -0.00015239 6.5952e+05 2024-05-08 21:30:43,531 INFO [main.py:798]
{rank 0/64} MD step = 378000 step time: 00:00:00.152295 Performance: 66.639 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:30:56,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378000 75600 59.044 -32715 6471.3 -39187 -39187 -0.0002143 -0.0002524 -0.00020954 6.5968e+05 2024-05-08 21:31:12,614 INFO [main.py:798]
{rank 0/64} MD step = 378100 step time: 00:00:00.143761 Performance: 66.637 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-08 21:31:17,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378100 75620 60.206 -32681 6598.6 -39279 -39279 -0.0003143 -0.00063813 -0.00040955 6.5984e+05 2024-05-08 21:31:33,482 INFO [main.py:798]
{rank 0/64} MD step = 378200 step time: 00:00:00.162520 Performance: 66.641 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:31:41,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378200 75640 61.533 -32428 6744 -39172 -39172 -0.00018096 -0.00030478 0 6.6001e+05 2024-05-08 21:31:57,347 INFO [main.py:798]
{rank 0/64} MD step = 378300 step time: 00:00:00.157768 Performance: 66.642 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:32:03,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378300 75660 60.285 -32634 6607.3 -39241 -39241 -0.00030478 -0.00022858 -0.00058575 6.602e+05 2024-05-08 21:32:18,761 INFO [main.py:798]
{rank 0/64} MD step = 378400 step time: 00:00:00.164732 Performance: 66.645 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:32:25,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378400 75680 60.148 -32714 6592.3 -39307 -39307 0.00016191 -1.9049e-05 -0.00053336 6.6038e+05 2024-05-08 21:32:41,463 INFO [main.py:798]
{rank 0/64} MD step = 378500 step time: 00:00:00.151782 Performance: 66.647 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:32:48,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378500 75700 60.043 -32616 6580.8 -39197 -39197 -0.00020954 -0.00051431 -0.00068575 6.6057e+05 2024-05-08 21:33:04,222 INFO [main.py:798]
{rank 0/64} MD step = 378600 step time: 00:00:00.162845 Performance: 66.649 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:33:27,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378600 75720 60.59 -32508 6640.8 -39149 -39149 -0.00038574 7.6195e-05 -0.00060956 6.6078e+05 2024-05-08 21:33:43,283 INFO [main.py:798]
{rank 0/64} MD step = 378700 step time: 00:00:00.157543 Performance: 66.640 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:33:50,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378700 75740 59.802 -32505 6554.4 -39060 -39060 -0.00041907 -0.00033335 -7.6195e-05 6.61e+05 2024-05-08 21:34:05,839 INFO [main.py:798]
{rank 0/64} MD step = 378800 step time: 00:00:00.156890 Performance: 66.643 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:34:12,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378800 75760 60.365 -32553 6616.1 -39169 -39169 -0.00053336 -0.00036193 -0.00064766 6.6114e+05 2024-05-08 21:34:27,890 INFO [main.py:798]
{rank 0/64} MD step = 378900 step time: 00:00:00.149519 Performance: 66.645 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:34:36,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378900 75780 60.018 -32671 6578 -39249 -39249 -0.00036193 -0.00049527 -0.00025716 6.6133e+05 2024-05-08 21:34:52,104 INFO [main.py:798]
{rank 0/64} MD step = 379000 step time: 00:00:00.154257 Performance: 66.647 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:34:57,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379000 75800 59.63 -32745 6535.5 -39281 -39281 0.00015239 -0.00049527 -0.00010953 6.615e+05 2024-05-08 21:35:13,960 INFO [main.py:798]
{rank 0/64} MD step = 379100 step time: 00:00:00.148194 Performance: 66.649 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:35:20,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379100 75820 60.016 -32517 6577.8 -39095 -39095 -0.00051431 -0.0007429 -0.00036193 6.6174e+05 2024-05-08 21:35:36,224 INFO [main.py:798]
{rank 0/64} MD step = 379200 step time: 00:00:00.156510 Performance: 66.652 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:35:40,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379200 75840 60.787 -32403 6662.4 -39065 -39065 -0.00036193 -0.00040002 -4.7622e-05 6.6187e+05 2024-05-08 21:35:57,033 INFO [main.py:798]
{rank 0/64} MD step = 379300 step time: 00:00:00.148270 Performance: 66.655 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-08 21:36:03,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379300 75860 59.666 -32585 6539.5 -39125 -39125 -0.00041907 -0.00049527 1.9049e-05 6.6208e+05 2024-05-08 21:36:18,945 INFO [main.py:798]
{rank 0/64} MD step = 379400 step time: 00:00:00.155847 Performance: 66.658 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:36:23,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379400 75880 59.841 -32619 6558.7 -39178 -39178 -0.00020954 -0.00035716 0.00011429 6.6223e+05 2024-05-08 21:36:41,251 INFO [main.py:798]
{rank 0/64} MD step = 379500 step time: 00:00:00.156526 Performance: 66.660 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:36:47,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379500 75900 60.738 -32503 6657 -39160 -39160 -0.00026668 -0.00038097 -0.00040002 6.6238e+05 2024-05-08 21:37:02,889 INFO [main.py:798]
{rank 0/64} MD step = 379600 step time: 00:00:00.151890 Performance: 66.663 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:37:13,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379600 75920 60.163 -32461 6593.9 -39055 -39055 -0.00038097 -0.00037145 0.00013334 6.6255e+05 2024-05-08 21:37:28,771 INFO [main.py:798]
{rank 0/64} MD step = 379700 step time: 00:00:00.150619 Performance: 66.663 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:37:38,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379700 75940 60.272 -32483 6605.9 -39089 -39089 -0.00019049 -0.00041907 -0.00076671 6.6271e+05 2024-05-08 21:37:55,054 INFO [main.py:798]
{rank 0/64} MD step = 379800 step time: 00:00:00.163892 Performance: 66.663 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:38:00,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379800 75960 60.347 -32433 6614.1 -39047 -39047 -0.00053336 -9.5243e-05 -0.0007048 6.6292e+05 2024-05-08 21:38:20,514 INFO [main.py:798]
{rank 0/64} MD step = 379900 step time: 00:00:00.163102 Performance: 66.663 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:38:24,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379900 75980 60.606 -32448 6642.4 -39090 -39090 -5.7146e-05 -0.00026668 -0.00015239 6.6312e+05 2024-05-08 21:38:42,172 INFO [main.py:798]
{rank 0/64} MD step = 380000 step time: 00:00:00.162976 Performance: 66.666 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:38:47,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380000 76000 59.497 -32715 6520.9 -39236 -39236 -0.00036193 -0.00059051 -0.00057146 6.6323e+05 2024-05-08 21:39:03,270 INFO [main.py:798]
{rank 0/64} MD step = 380100 step time: 00:00:00.166962 Performance: 66.670 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:39:11,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380100 76020 60.52 -32603 6633.1 -39236 -39236 -0.00057146 -0.00033335 -0.00050479 6.6345e+05 2024-05-08 21:39:26,362 INFO [main.py:798]
{rank 0/64} MD step = 380200 step time: 00:00:00.134536 Performance: 66.672 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:39:32,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380200 76040 60.651 -32585 6647.4 -39232 -39232 -0.00053336 -0.00013334 -0.00082862 6.636e+05 2024-05-08 21:39:50,852 INFO [main.py:798]
{rank 0/64} MD step = 380300 step time: 00:00:00.149014 Performance: 66.672 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:40:07,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380300 76060 59.82 -32599 6556.4 -39156 -39156 -9.5243e-05 -0.00041907 -1.9049e-05 6.6376e+05 2024-05-08 21:40:24,255 INFO [main.py:798]
{rank 0/64} MD step = 380400 step time: 00:00:00.160868 Performance: 66.667 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:40:33,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380400 76080 60.339 -32571 6613.2 -39184 -39184 -0.00033335 -0.00030478 -9.5243e-05 6.6392e+05 2024-05-08 21:40:49,365 INFO [main.py:798]
{rank 0/64} MD step = 380500 step time: 00:00:00.163949 Performance: 66.668 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:40:54,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380500 76100 60.365 -32508 6616.1 -39125 -39125 -0.00045717 -0.00064289 -7.6195e-05 6.6411e+05 2024-05-08 21:41:10,692 INFO [main.py:798]
{rank 0/64} MD step = 380600 step time: 00:00:00.165889 Performance: 66.671 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:41:17,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380600 76120 59.954 -32535 6571 -39106 -39106 -0.00038097 -0.00033811 -0.00052384 6.6428e+05 2024-05-08 21:41:33,014 INFO [main.py:798]
{rank 0/64} MD step = 380700 step time: 00:00:00.164240 Performance: 66.674 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:41:40,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380700 76140 60.383 -32500 6618 -39119 -39119 -0.00033335 -0.00019049 -0.00051431 6.6446e+05 2024-05-08 21:41:58,628 INFO [main.py:798]
{rank 0/64} MD step = 380800 step time: 00:00:00.160441 Performance: 66.674 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 21:42:04,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380800 76160 59.873 -32751 6562.2 -39313 -39313 -0.00045717 -0.00052384 -0.00056194 6.646e+05 2024-05-08 21:42:20,068 INFO [main.py:798]
{rank 0/64} MD step = 380900 step time: 00:00:00.153498 Performance: 66.677 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:42:26,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380900 76180 60.501 -32578 6631 -39209 -39209 -0.00011429 -0.0007048 -0.00049527 6.6479e+05 2024-05-08 21:42:43,005 INFO [main.py:798]
{rank 0/64} MD step = 381000 step time: 00:00:00.154745 Performance: 66.679 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:42:49,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381000 76200 60.387 -32536 6618.5 -39154 -39154 -0.00050479 -0.00053336 -0.00050003 6.6498e+05 2024-05-08 21:43:04,891 INFO [main.py:798]
{rank 0/64} MD step = 381100 step time: 00:00:00.151460 Performance: 66.681 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:43:14,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381100 76220 60.332 -32644 6612.5 -39256 -39256 -0.00038097 -0.00041907 -0.0003524 6.6515e+05 2024-05-08 21:43:30,796 INFO [main.py:798]
{rank 0/64} MD step = 381200 step time: 00:00:00.146793 Performance: 66.681 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:43:36,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381200 76240 60.678 -32499 6650.4 -39149 -39149 -0.00038097 -0.00030478 -0.00051431 6.6533e+05 2024-05-08 21:43:54,116 INFO [main.py:798]
{rank 0/64} MD step = 381300 step time: 00:00:00.155667 Performance: 66.683 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:44:00,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381300 76260 59.749 -32665 6548.6 -39214 -39214 0.00010477 -0.00047622 -0.00050479 6.6551e+05 2024-05-08 21:44:16,638 INFO [main.py:798]
{rank 0/64} MD step = 381400 step time: 00:00:00.154300 Performance: 66.686 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:44:23,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381400 76280 60.445 -32461 6624.9 -39086 -39086 -0.0006667 -0.00032383 -0.00036193 6.6571e+05 2024-05-08 21:44:39,141 INFO [main.py:798]
{rank 0/64} MD step = 381500 step time: 00:00:00.148981 Performance: 66.688 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:44:44,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381500 76300 59.835 -32532 6558 -39090 -39090 -0.00032383 -0.00048098 -0.00050955 6.6588e+05 2024-05-08 21:45:00,879 INFO [main.py:798]
{rank 0/64} MD step = 381600 step time: 00:00:00.153277 Performance: 66.691 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:45:07,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381600 76320 60.849 -32395 6669.2 -39064 -39064 -0.00022858 -0.00038097 -0.00048574 6.6608e+05 2024-05-08 21:45:25,341 INFO [main.py:798]
{rank 0/64} MD step = 381700 step time: 00:00:00.167129 Performance: 66.692 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-08 21:45:32,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381700 76340 59.967 -32503 6572.5 -39075 -39075 -0.0003905 -0.00042383 -7.6195e-05 6.6627e+05 2024-05-08 21:45:48,470 INFO [main.py:798]
{rank 0/64} MD step = 381800 step time: 00:00:00.155514 Performance: 66.693 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:45:55,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381800 76360 60.59 -32349 6640.7 -38990 -38990 -0.00024763 -0.00047622 -0.00038097 6.6642e+05 2024-05-08 21:46:11,239 INFO [main.py:798]
{rank 0/64} MD step = 381900 step time: 00:00:00.151144 Performance: 66.696 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:46:16,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381900 76380 60.736 -32488 6656.7 -39145 -39145 -0.00040002 -0.00032383 -0.00056194 6.6659e+05 2024-05-08 21:46:32,617 INFO [main.py:798]
{rank 0/64} MD step = 382000 step time: 00:00:00.155182 Performance: 66.699 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:46:38,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382000 76400 59.478 -32631 6518.9 -39150 -39150 -0.00022382 -0.00033335 -0.00024763 6.6677e+05 2024-05-08 21:46:54,192 INFO [main.py:798]
{rank 0/64} MD step = 382100 step time: 00:00:00.157623 Performance: 66.702 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:47:00,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382100 76420 59.854 -32675 6560.1 -39235 -39235 -0.00034288 -0.00053336 7.6195e-05 6.6695e+05 2024-05-08 21:47:16,080 INFO [main.py:798]
{rank 0/64} MD step = 382200 step time: 00:00:00.150640 Performance: 66.704 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:47:22,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382200 76440 59.564 -32476 6528.3 -39004 -39004 -0.00047622 -0.00038097 -0.00054765 6.6713e+05 2024-05-08 21:47:38,983 INFO [main.py:798]
{rank 0/64} MD step = 382300 step time: 00:00:00.157224 Performance: 66.706 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:47:46,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382300 76460 60.652 -32454 6647.6 -39102 -39102 -0.00059051 -0.00036193 -0.00077147 6.6731e+05 2024-05-08 21:48:01,556 INFO [main.py:798]
{rank 0/64} MD step = 382400 step time: 00:00:00.167147 Performance: 66.709 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:48:13,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382400 76480 58.934 -32773 6459.2 -39232 -39232 -0.00034288 -0.00076195 -0.00064766 6.6747e+05 2024-05-08 21:48:30,287 INFO [main.py:798]
{rank 0/64} MD step = 382500 step time: 00:00:00.157684 Performance: 66.707 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:48:36,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382500 76500 60.684 -32459 6651.1 -39110 -39110 -0.0003524 -0.00052384 -0.00053336 6.6765e+05 2024-05-08 21:48:52,107 INFO [main.py:798]
{rank 0/64} MD step = 382600 step time: 00:00:00.158880 Performance: 66.709 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:49:03,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382600 76520 60.309 -32505 6610 -39115 -39115 -0.0003524 -0.00065718 -0.00053336 6.6786e+05 2024-05-08 21:49:18,806 INFO [main.py:798]
{rank 0/64} MD step = 382700 step time: 00:00:00.162926 Performance: 66.709 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:49:25,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382700 76540 60.74 -32453 6657.2 -39110 -39110 -0.00045717 -0.00041907 -0.00046669 6.6804e+05 2024-05-08 21:49:40,903 INFO [main.py:798]
{rank 0/64} MD step = 382800 step time: 00:00:00.160058 Performance: 66.711 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:49:57,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382800 76560 59.722 -32752 6545.6 -39297 -39297 -0.00049527 -0.00038097 -0.0006667 6.6817e+05 2024-05-08 21:50:13,136 INFO [main.py:798]
{rank 0/64} MD step = 382900 step time: 00:00:00.153731 Performance: 66.707 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:50:22,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382900 76580 60.911 -32350 6675.9 -39026 -39026 -0.00045717 -0.00029525 -0.00060003 6.6839e+05 2024-05-08 21:50:38,302 INFO [main.py:798]
{rank 0/64} MD step = 383000 step time: 00:00:00.160279 Performance: 66.708 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-08 21:50:44,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383000 76600 61.115 -32242 6698.3 -38940 -38940 -0.00049527 -0.00055717 -6.667e-05 6.6857e+05 2024-05-08 21:51:01,069 INFO [main.py:798]
{rank 0/64} MD step = 383100 step time: 00:00:00.147114 Performance: 66.710 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:51:08,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383100 76620 59.878 -32709 6562.7 -39271 -39271 0.00019049 -0.00019525 -0.00051431 6.6872e+05 2024-05-08 21:51:25,136 INFO [main.py:798]
{rank 0/64} MD step = 383200 step time: 00:00:00.154238 Performance: 66.711 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:51:33,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383200 76640 59.701 -32747 6543.4 -39290 -39290 -0.00045717 -0.00047622 -0.00053336 6.6889e+05 2024-05-08 21:51:49,483 INFO [main.py:798]
{rank 0/64} MD step = 383300 step time: 00:00:00.154929 Performance: 66.712 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:51:57,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383300 76660 60.733 -32460 6656.5 -39116 -39116 -7.8576e-05 -0.00049527 -0.00060003 6.6911e+05 2024-05-08 21:52:13,006 INFO [main.py:798]
{rank 0/64} MD step = 383400 step time: 00:00:00.154937 Performance: 66.714 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:52:19,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383400 76680 59.656 -32593 6538.4 -39131 -39131 -0.00015239 -0.00045717 -0.00043812 6.6925e+05 2024-05-08 21:52:35,364 INFO [main.py:798]
{rank 0/64} MD step = 383500 step time: 00:00:00.134237 Performance: 66.716 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:52:42,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383500 76700 60.439 -32530 6624.2 -39155 -39155 -0.00028573 -0.00019049 -9.5243e-05 6.6943e+05 2024-05-08 21:52:58,220 INFO [main.py:798]
{rank 0/64} MD step = 383600 step time: 00:00:00.145239 Performance: 66.718 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:53:04,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383600 76720 60.329 -32557 6612.1 -39169 -39169 -0.00031907 -0.00040002 -0.00067623 6.6963e+05 2024-05-08 21:53:20,208 INFO [main.py:798]
{rank 0/64} MD step = 383700 step time: 00:00:00.157601 Performance: 66.721 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:53:26,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383700 76740 59.721 -32595 6545.5 -39140 -39140 -0.00019049 -0.00027144 -0.00029525 6.6979e+05 2024-05-08 21:53:42,141 INFO [main.py:798]
{rank 0/64} MD step = 383800 step time: 00:00:00.151336 Performance: 66.723 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:53:48,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383800 76760 60.042 -32626 6580.7 -39206 -39206 -0.0004286 -0.00045717 -0.00072385 6.6997e+05 2024-05-08 21:54:04,330 INFO [main.py:798]
{rank 0/64} MD step = 383900 step time: 00:00:00.137665 Performance: 66.726 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-08 21:54:11,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383900 76780 59.109 -32616 6478.4 -39094 -39094 0.00032383 -0.00064766 -7.6195e-05 6.7018e+05 2024-05-08 21:54:27,520 INFO [main.py:798]
{rank 0/64} MD step = 384000 step time: 00:00:00.142442 Performance: 66.728 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 21:54:34,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384000 76800 60.824 -32526 6666.4 -39192 -39192 -0.00019049 -0.00051431 -0.0006667 6.7033e+05 2024-05-08 21:54:50,920 INFO [main.py:798]
{rank 0/64} MD step = 384100 step time: 00:00:00.154260 Performance: 66.729 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 21:54:56,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384100 76820 59.894 -32561 6564.4 -39125 -39125 -0.00011429 -0.00028573 -0.00021906 6.7054e+05 2024-05-08 21:55:13,237 INFO [main.py:798]
{rank 0/64} MD step = 384200 step time: 00:00:00.156095 Performance: 66.732 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 21:55:19,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384200 76840 60.52 -32527 6633.1 -39160 -39160 -3.8097e-05 -0.0003905 -0.00057146 6.7071e+05 2024-05-08 21:55:35,557 INFO [main.py:798]
{rank 0/64} MD step = 384300 step time: 00:00:00.189236 Performance: 66.734 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 21:55:41,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384300 76860 61.303 -32450 6718.9 -39169 -39169 -0.00043812 -0.00052384 -0.00011429 6.7088e+05 2024-05-08 21:55:57,833 INFO [main.py:798]
{rank 0/64} MD step = 384400 step time: 00:00:00.159028 Performance: 66.737 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 21:56:03,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384400 76880 59.1 -32655 6477.4 -39132 -39132 0.00019049 0.00010477 -0.00068575 6.7103e+05 2024-05-08 21:56:19,237 INFO [main.py:798]
{rank 0/64} MD step = 384500 step time: 00:00:00.156627 Performance: 66.740 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 21:56:23,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384500 76900 60.386 -32327 6618.4 -38945 -38945 0.00020954 -0.0004286 -0.00056194 6.7124e+05 2024-05-08 21:56:41,142 INFO [main.py:798]
{rank 0/64} MD step = 384600 step time: 00:00:00.155256 Performance: 66.742 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 21:56:49,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384600 76920 59.7 -32475 6543.2 -39018 -39018 -0.00022858 -0.00038097 -0.00049527 6.7138e+05 2024-05-08 21:57:05,288 INFO [main.py:798]
{rank 0/64} MD step = 384700 step time: 00:00:00.155372 Performance: 66.743 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 21:57:11,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384700 76940 59.653 -32584 6538.1 -39122 -39122 -0.00027621 -0.00062861 -0.00064766 6.7156e+05 2024-05-08 21:57:27,621 INFO [main.py:798]
{rank 0/64} MD step = 384800 step time: 00:00:00.163549 Performance: 66.746 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 21:57:34,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384800 76960 61.212 -32449 6708.9 -39158 -39158 -0.00019049 -0.00036193 -0.00033335 6.7172e+05 2024-05-08 21:57:50,849 INFO [main.py:798]
{rank 0/64} MD step = 384900 step time: 00:00:00.157000 Performance: 66.748 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 21:57:57,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384900 76980 59.174 -32733 6485.6 -39218 -39218 -0.00012382 0.00010953 -0.00051431 6.7185e+05 2024-05-08 21:58:13,106 INFO [main.py:798]
{rank 0/64} MD step = 385000 step time: 00:00:00.162525 Performance: 66.750 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 21:58:21,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385000 77000 60.175 -32531 6595.3 -39126 -39126 -0.00025716 -0.00043812 -0.00064766 6.7207e+05 2024-05-08 21:58:37,110 INFO [main.py:798]
{rank 0/64} MD step = 385100 step time: 00:00:00.158099 Performance: 66.751 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 21:58:43,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385100 77020 60.171 -32403 6594.8 -38998 -38998 -0.00045717 -0.00053336 -0.00014287 6.7225e+05 2024-05-08 21:59:00,103 INFO [main.py:798]
{rank 0/64} MD step = 385200 step time: 00:00:00.162689 Performance: 66.753 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 21:59:05,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385200 77040 59.303 -32551 6499.7 -39051 -39051 3.8097e-05 -0.00040002 -0.00043812 6.724e+05 2024-05-08 21:59:22,087 INFO [main.py:798]
{rank 0/64} MD step = 385300 step time: 00:00:00.167854 Performance: 66.756 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 21:59:28,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385300 77060 60.701 -32414 6652.9 -39067 -39067 -0.00026668 -0.00057146 -0.00046669 6.7256e+05 2024-05-08 21:59:44,837 INFO [main.py:798]
{rank 0/64} MD step = 385400 step time: 00:00:00.167547 Performance: 66.758 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-08 21:59:50,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385400 77080 60.765 -32577 6659.9 -39237 -39237 -3.8097e-05 -0.00053336 -0.00057146 6.7275e+05 2024-05-08 22:00:07,757 INFO [main.py:798]
{rank 0/64} MD step = 385500 step time: 00:00:00.166512 Performance: 66.760 ns/day 0.359 hours/ns 3.863 steps/s 2024-05-08 22:00:13,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385500 77100 60.498 -32476 6630.6 -39107 -39107 -0.00022382 -0.00037145 -0.00045717 6.7291e+05 2024-05-08 22:00:29,454 INFO [main.py:798]
{rank 0/64} MD step = 385600 step time: 00:00:00.163637 Performance: 66.763 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 22:00:35,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385600 77120 59.72 -32556 6545.4 -39102 -39102 -0.00049527 -0.00038097 -0.00026668 6.7312e+05 2024-05-08 22:00:51,337 INFO [main.py:798]
{rank 0/64} MD step = 385700 step time: 00:00:00.162308 Performance: 66.765 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 22:00:58,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385700 77140 60.25 -32603 6603.4 -39206 -39206 -0.00026668 -0.00043812 -0.00026668 6.7327e+05 2024-05-08 22:01:12,717 INFO [main.py:798]
{rank 0/64} MD step = 385800 step time: 00:00:00.156671 Performance: 66.768 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 22:01:24,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385800 77160 60.553 -32429 6636.7 -39065 -39065 -0.00024763 -0.00036193 -0.0003524 6.7347e+05 2024-05-08 22:01:39,164 INFO [main.py:798]
{rank 0/64} MD step = 385900 step time: 00:00:00.157029 Performance: 66.768 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 22:01:45,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385900 77180 59.65 -32662 6537.7 -39200 -39200 -0.00022858 -0.0004286 -0.00042383 6.7362e+05 2024-05-08 22:02:01,556 INFO [main.py:798]
{rank 0/64} MD step = 386000 step time: 00:00:00.161430 Performance: 66.770 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 22:02:08,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386000 77200 60.264 -32501 6605 -39106 -39106 -0.00026192 -0.00052384 -0.00065718 6.7381e+05 2024-05-08 22:02:23,511 INFO [main.py:798]
{rank 0/64} MD step = 386100 step time: 00:00:00.152201 Performance: 66.773 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 22:02:29,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386100 77220 60.785 -32503 6662.1 -39165 -39165 -0.00028573 -0.00064766 -0.00051431 6.7399e+05 2024-05-08 22:02:45,135 INFO [main.py:798]
{rank 0/64} MD step = 386200 step time: 00:00:00.150387 Performance: 66.776 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 22:02:50,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386200 77240 59.508 -32517 6522.1 -39040 -39040 0.00030478 -0.00022858 -0.00036193 6.7415e+05 2024-05-08 22:03:06,578 INFO [main.py:798]
{rank 0/64} MD step = 386300 step time: 00:00:00.148222 Performance: 66.779 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:03:18,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386300 77260 60.349 -32522 6614.3 -39136 -39136 -0.00048574 -0.00037145 -0.00071433 6.7432e+05 2024-05-08 22:03:35,278 INFO [main.py:798]
{rank 0/64} MD step = 386400 step time: 00:00:00.156890 Performance: 66.777 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-08 22:03:39,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386400 77280 61.228 -32510 6710.6 -39220 -39220 -0.00032383 -0.00041907 -0.00047622 6.7446e+05 2024-05-08 22:03:57,707 INFO [main.py:798]
{rank 0/64} MD step = 386500 step time: 00:00:00.150271 Performance: 66.779 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:04:04,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386500 77300 59.153 -32707 6483.3 -39190 -39190 0.00010001 -0.00030478 9.5243e-05 6.7464e+05 2024-05-08 22:04:20,187 INFO [main.py:798]
{rank 0/64} MD step = 386600 step time: 00:00:00.151243 Performance: 66.781 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:04:26,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386600 77320 60.34 -32581 6613.3 -39194 -39194 -0.00036193 -0.00024763 -0.00036193 6.7481e+05 2024-05-08 22:04:43,370 INFO [main.py:798]
{rank 0/64} MD step = 386700 step time: 00:00:00.146808 Performance: 66.783 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:04:49,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386700 77340 60.247 -32618 6603.1 -39221 -39221 -0.00020954 -0.00034288 -5.7146e-05 6.7499e+05 2024-05-08 22:05:05,320 INFO [main.py:798]
{rank 0/64} MD step = 386800 step time: 00:00:00.153180 Performance: 66.786 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:05:11,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386800 77360 60.835 -32482 6667.6 -39149 -39149 -0.00030478 -0.00037145 -0.00049527 6.7516e+05 2024-05-08 22:05:31,409 INFO [main.py:798]
{rank 0/64} MD step = 386900 step time: 00:00:00.161836 Performance: 66.786 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:05:37,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386900 77380 59.792 -32572 6553.3 -39126 -39126 -0.00049527 -0.0003524 -0.0004905 6.7532e+05 2024-05-08 22:05:52,864 INFO [main.py:798]
{rank 0/64} MD step = 387000 step time: 00:00:00.135073 Performance: 66.789 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:05:58,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387000 77400 60.081 -32574 6584.9 -39158 -39158 -0.00032383 -0.00051431 5.7146e-05 6.7548e+05 2024-05-08 22:06:15,581 INFO [main.py:798]
{rank 0/64} MD step = 387100 step time: 00:00:00.164344 Performance: 66.791 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:06:21,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387100 77420 59.866 -32670 6561.4 -39232 -39232 -0.00034288 -0.00030478 -8.5719e-05 6.7566e+05 2024-05-08 22:06:37,489 INFO [main.py:798]
{rank 0/64} MD step = 387200 step time: 00:00:00.152067 Performance: 66.793 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:06:43,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387200 77440 59.409 -32631 6511.3 -39142 -39142 -0.00041907 -0.00040002 -0.00015239 6.7585e+05 2024-05-08 22:06:59,836 INFO [main.py:798]
{rank 0/64} MD step = 387300 step time: 00:00:00.146695 Performance: 66.796 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:07:06,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387300 77460 59.337 -32651 6503.4 -39154 -39154 -0.00046669 -0.00036193 -0.00064766 6.7601e+05 2024-05-08 22:07:21,869 INFO [main.py:798]
{rank 0/64} MD step = 387400 step time: 00:00:00.153822 Performance: 66.798 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:07:29,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387400 77480 60.103 -32559 6587.4 -39146 -39146 -0.00034764 -9.5243e-05 -0.00030478 6.762e+05 2024-05-08 22:07:45,947 INFO [main.py:798]
{rank 0/64} MD step = 387500 step time: 00:00:00.157604 Performance: 66.800 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:07:52,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387500 77500 60.479 -32480 6628.6 -39109 -39109 -0.00041907 -0.00047622 -0.00012382 6.764e+05 2024-05-08 22:08:08,534 INFO [main.py:798]
{rank 0/64} MD step = 387600 step time: 00:00:00.161134 Performance: 66.802 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:08:16,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387600 77520 60.027 -32539 6579.1 -39118 -39118 -0.00026668 -0.00043812 -0.00047622 6.7654e+05 2024-05-08 22:08:34,679 INFO [main.py:798]
{rank 0/64} MD step = 387700 step time: 00:00:00.157727 Performance: 66.802 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:08:58,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387700 77540 60.307 -32444 6609.7 -39054 -39054 -0.00028097 -0.00060003 -0.00061908 6.7671e+05 2024-05-08 22:09:15,391 INFO [main.py:798]
{rank 0/64} MD step = 387800 step time: 00:00:00.167378 Performance: 66.792 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:09:25,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387800 77560 59.694 -32548 6542.6 -39091 -39091 -0.00021906 -0.00054765 -0.00030002 6.769e+05 2024-05-08 22:09:40,825 INFO [main.py:798]
{rank 0/64} MD step = 387900 step time: 00:00:00.160425 Performance: 66.792 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:09:47,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387900 77580 59.974 -32624 6573.3 -39197 -39197 0.00011429 -0.00047622 -0.00010477 6.7704e+05 2024-05-08 22:10:03,632 INFO [main.py:798]
{rank 0/64} MD step = 388000 step time: 00:00:00.157132 Performance: 66.794 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:10:10,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388000 77600 59.684 -32553 6541.5 -39095 -39095 -0.00032383 -0.00030478 -0.00038097 6.7722e+05 2024-05-08 22:10:28,804 INFO [main.py:798]
{rank 0/64} MD step = 388100 step time: 00:00:00.158956 Performance: 66.794 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-08 22:10:34,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388100 77620 60.171 -32601 6594.8 -39196 -39196 -0.00043812 -0.00036193 -0.00062861 6.7739e+05 2024-05-08 22:10:50,186 INFO [main.py:798]
{rank 0/64} MD step = 388200 step time: 00:00:00.152605 Performance: 66.797 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:10:58,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388200 77640 60.73 -32463 6656.1 -39119 -39119 -0.00028573 -0.00047146 -0.00072861 6.7758e+05 2024-05-08 22:11:14,226 INFO [main.py:798]
{rank 0/64} MD step = 388300 step time: 00:00:00.166809 Performance: 66.799 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:11:17,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388300 77660 60.608 -32621 6642.7 -39264 -39264 -0.00027621 -0.00036193 0.00011429 6.7774e+05 2024-05-08 22:11:34,650 INFO [main.py:798]
{rank 0/64} MD step = 388400 step time: 00:00:00.155809 Performance: 66.802 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:11:41,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388400 77680 59.065 -32774 6473.6 -39248 -39248 -0.00028573 -0.00052384 -0.00034288 6.7789e+05 2024-05-08 22:11:56,823 INFO [main.py:798]
{rank 0/64} MD step = 388500 step time: 00:00:00.155687 Performance: 66.805 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:12:03,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388500 77700 60.188 -32428 6596.7 -39025 -39025 -0.00020954 -0.00028573 -2.8573e-05 6.7809e+05 2024-05-08 22:12:18,098 INFO [main.py:798]
{rank 0/64} MD step = 388600 step time: 00:00:00.161079 Performance: 66.808 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:12:25,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388600 77720 59.762 -32604 6550 -39154 -39154 -0.00034288 -0.00051431 -0.00053336 6.7826e+05 2024-05-08 22:12:40,644 INFO [main.py:798]
{rank 0/64} MD step = 388700 step time: 00:00:00.166115 Performance: 66.810 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:12:47,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388700 77740 59.343 -32537 6504.1 -39041 -39041 -0.00027621 -0.00065718 -0.00033335 6.7844e+05 2024-05-08 22:13:03,447 INFO [main.py:798]
{rank 0/64} MD step = 388800 step time: 00:00:00.158319 Performance: 66.812 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-08 22:13:08,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388800 77760 60.5 -32705 6630.8 -39335 -39335 -0.00055241 -0.00064766 -0.00058099 6.786e+05 2024-05-08 22:13:26,161 INFO [main.py:798]
{rank 0/64} MD step = 388900 step time: 00:00:00.153886 Performance: 66.814 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:13:32,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388900 77780 59.595 -32624 6531.7 -39156 -39156 -0.00036193 -4.7622e-06 -0.00019049 6.7878e+05 2024-05-08 22:13:48,444 INFO [main.py:798]
{rank 0/64} MD step = 389000 step time: 00:00:00.177353 Performance: 66.816 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:13:53,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389000 77800 59.712 -32535 6544.5 -39079 -39079 -0.00059051 -0.00043812 -0.00033811 6.7895e+05 2024-05-08 22:14:10,004 INFO [main.py:798]
{rank 0/64} MD step = 389100 step time: 00:00:00.172091 Performance: 66.819 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:14:16,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389100 77820 59.901 -32555 6565.2 -39120 -39120 -0.00049527 -0.00041907 -0.00017144 6.7912e+05 2024-05-08 22:14:32,757 INFO [main.py:798]
{rank 0/64} MD step = 389200 step time: 00:00:00.171196 Performance: 66.821 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:14:39,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389200 77840 60.795 -32481 6663.3 -39144 -39144 -0.00023811 -0.00014287 -0.00068575 6.7931e+05 2024-05-08 22:14:54,811 INFO [main.py:798]
{rank 0/64} MD step = 389300 step time: 00:00:00.155088 Performance: 66.824 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:15:01,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389300 77860 59.156 -32626 6483.6 -39110 -39110 -0.00036193 -0.0003143 -0.00051431 6.7945e+05 2024-05-08 22:15:17,508 INFO [main.py:798]
{rank 0/64} MD step = 389400 step time: 00:00:00.157140 Performance: 66.826 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:15:26,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389400 77880 60.486 -32595 6629.4 -39224 -39224 -0.00045717 -0.00061908 -0.00068575 6.7962e+05 2024-05-08 22:15:41,408 INFO [main.py:798]
{rank 0/64} MD step = 389500 step time: 00:00:00.145831 Performance: 66.827 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:15:49,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389500 77900 60.336 -32700 6612.9 -39313 -39313 -0.0003143 -0.00060956 8.5719e-05 6.7977e+05 2024-05-08 22:16:05,017 INFO [main.py:798]
{rank 0/64} MD step = 389600 step time: 00:00:00.143289 Performance: 66.829 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:16:13,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389600 77920 59.68 -32628 6541 -39169 -39169 -0.00024763 -0.00023811 -0.00015239 6.7997e+05 2024-05-08 22:16:29,272 INFO [main.py:798]
{rank 0/64} MD step = 389700 step time: 00:00:00.151861 Performance: 66.830 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-08 22:16:36,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389700 77940 60.304 -32601 6609.4 -39211 -39211 -0.00010001 -0.00051431 -3.8097e-05 6.8014e+05 2024-05-08 22:16:52,175 INFO [main.py:798]
{rank 0/64} MD step = 389800 step time: 00:00:00.141525 Performance: 66.832 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:16:59,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389800 77960 59.956 -32592 6571.2 -39163 -39163 -0.00024287 -0.00036193 -0.00018096 6.8032e+05 2024-05-08 22:17:14,690 INFO [main.py:798]
{rank 0/64} MD step = 389900 step time: 00:00:00.154474 Performance: 66.834 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:17:22,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389900 77980 59.919 -32474 6567.2 -39041 -39041 -0.00026192 -0.00026668 -0.0007048 6.8052e+05 2024-05-08 22:17:38,925 INFO [main.py:798]
{rank 0/64} MD step = 390000 step time: 00:00:00.165417 Performance: 66.835 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:17:46,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390000 78000 60.165 -32505 6594.2 -39099 -39099 -0.00019049 -0.00043812 -0.00056194 6.8069e+05 2024-05-08 22:18:02,248 INFO [main.py:798]
{rank 0/64} MD step = 390100 step time: 00:00:00.157540 Performance: 66.837 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:18:08,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390100 78020 58.822 -32699 6447 -39146 -39146 -0.00032383 -0.00030478 -0.00034288 6.8085e+05 2024-05-08 22:18:25,015 INFO [main.py:798]
{rank 0/64} MD step = 390200 step time: 00:00:00.166729 Performance: 66.839 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:18:31,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390200 78040 60.413 -32567 6621.3 -39188 -39188 -0.00041907 -0.00046669 -0.00068575 6.81e+05 2024-05-08 22:18:47,958 INFO [main.py:798]
{rank 0/64} MD step = 390300 step time: 00:00:00.164788 Performance: 66.841 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:18:55,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390300 78060 60.184 -32645 6596.2 -39241 -39241 -0.00022858 -0.00048574 -9.5243e-05 6.812e+05 2024-05-08 22:19:10,741 INFO [main.py:798]
{rank 0/64} MD step = 390400 step time: 00:00:00.159920 Performance: 66.843 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:19:17,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390400 78080 59.474 -32696 6518.5 -39214 -39214 7.6195e-05 -0.00038097 -0.00041907 6.8136e+05 2024-05-08 22:19:33,678 INFO [main.py:798]
{rank 0/64} MD step = 390500 step time: 00:00:00.154579 Performance: 66.845 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:19:40,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390500 78100 60.718 -32373 6654.7 -39027 -39027 -0.00025716 -0.00051431 -0.00026668 6.8157e+05 2024-05-08 22:19:56,050 INFO [main.py:798]
{rank 0/64} MD step = 390600 step time: 00:00:00.157789 Performance: 66.847 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-08 22:20:01,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390600 78120 59.476 -32637 6518.6 -39155 -39155 9.5243e-06 -0.00041907 -0.00072385 6.8174e+05 2024-05-08 22:20:17,557 INFO [main.py:798]
{rank 0/64} MD step = 390700 step time: 00:00:00.153605 Performance: 66.850 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:20:28,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390700 78140 59.739 -32674 6547.5 -39221 -39221 3.8097e-05 -0.00047622 -0.0007048 6.819e+05 2024-05-08 22:20:44,921 INFO [main.py:798]
{rank 0/64} MD step = 390800 step time: 00:00:00.153676 Performance: 66.849 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:20:53,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390800 78160 60.414 -32552 6621.5 -39173 -39173 -0.0003905 -0.0003905 -0.00015239 6.821e+05 2024-05-08 22:21:09,254 INFO [main.py:798]
{rank 0/64} MD step = 390900 step time: 00:00:00.155391 Performance: 66.850 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:21:17,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390900 78180 59.686 -32664 6541.7 -39206 -39206 -0.00045717 -0.00062861 -6.667e-05 6.8225e+05 2024-05-08 22:21:33,464 INFO [main.py:798]
{rank 0/64} MD step = 391000 step time: 00:00:00.154330 Performance: 66.851 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:21:40,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391000 78200 59.768 -32703 6550.7 -39254 -39254 -0.00022858 0.00015239 -0.00040002 6.8246e+05 2024-05-08 22:21:56,849 INFO [main.py:798]
{rank 0/64} MD step = 391100 step time: 00:00:00.155968 Performance: 66.853 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:22:02,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391100 78220 60.078 -32608 6584.7 -39193 -39193 0.00045717 -0.00032383 -0.00064766 6.8265e+05 2024-05-08 22:22:19,440 INFO [main.py:798]
{rank 0/64} MD step = 391200 step time: 00:00:00.148501 Performance: 66.855 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:22:24,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391200 78240 60.196 -32508 6597.6 -39106 -39106 0.00036193 -0.00051431 -0.00057384 6.8285e+05 2024-05-08 22:22:41,184 INFO [main.py:798]
{rank 0/64} MD step = 391300 step time: 00:00:00.155859 Performance: 66.857 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:22:49,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391300 78260 59.781 -32502 6552 -39054 -39054 -0.00020954 -0.00044764 -2.8573e-05 6.8303e+05 2024-05-08 22:23:05,272 INFO [main.py:798]
{rank 0/64} MD step = 391400 step time: 00:00:00.155278 Performance: 66.859 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:23:09,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391400 78280 59.899 -32641 6565 -39206 -39206 -0.00017144 -0.00047622 -0.00064766 6.8319e+05 2024-05-08 22:23:27,122 INFO [main.py:798]
{rank 0/64} MD step = 391500 step time: 00:00:00.144562 Performance: 66.861 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:23:33,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391500 78300 61.244 -32359 6712.5 -39071 -39071 -0.00014763 -0.00041907 -0.00032383 6.8341e+05 2024-05-08 22:23:50,097 INFO [main.py:798]
{rank 0/64} MD step = 391600 step time: 00:00:00.152309 Performance: 66.863 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-08 22:23:56,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391600 78320 59.521 -32593 6523.6 -39117 -39117 -0.00015239 -0.00011429 -0.00040955 6.8357e+05 2024-05-08 22:24:12,072 INFO [main.py:798]
{rank 0/64} MD step = 391700 step time: 00:00:00.158444 Performance: 66.866 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:24:18,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391700 78340 59.623 -32635 6534.8 -39170 -39170 -0.00044764 -0.00051431 -0.00064766 6.8374e+05 2024-05-08 22:24:34,214 INFO [main.py:798]
{rank 0/64} MD step = 391800 step time: 00:00:00.162628 Performance: 66.868 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:24:40,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391800 78360 60.442 -32627 6624.6 -39251 -39251 -0.00023811 -0.00032383 -0.00060003 6.8392e+05 2024-05-08 22:24:55,939 INFO [main.py:798]
{rank 0/64} MD step = 391900 step time: 00:00:00.154785 Performance: 66.871 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:25:03,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391900 78380 59.322 -32577 6501.7 -39079 -39079 7.6195e-05 -0.00040002 -0.00045717 6.8407e+05 2024-05-08 22:25:19,205 INFO [main.py:798]
{rank 0/64} MD step = 392000 step time: 00:00:00.159292 Performance: 66.873 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:25:25,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392000 78400 60.606 -32383 6642.5 -39026 -39026 -0.00034288 -0.00040002 -0.00051431 6.8427e+05 2024-05-08 22:25:42,330 INFO [main.py:798]
{rank 0/64} MD step = 392100 step time: 00:00:00.164235 Performance: 66.874 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:25:51,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392100 78420 60.781 -32440 6661.7 -39102 -39102 -0.00026668 -0.00049527 -0.00038097 6.8445e+05 2024-05-08 22:26:06,247 INFO [main.py:798]
{rank 0/64} MD step = 392200 step time: 00:00:00.155467 Performance: 66.876 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:26:12,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392200 78440 59.305 -32732 6499.9 -39232 -39232 -0.00018572 -0.00034288 -0.00043812 6.8462e+05 2024-05-08 22:26:27,974 INFO [main.py:798]
{rank 0/64} MD step = 392300 step time: 00:00:00.148883 Performance: 66.878 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:26:35,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392300 78460 60.068 -32637 6583.5 -39221 -39221 -0.00036907 -0.00043812 -1.9049e-05 6.8482e+05 2024-05-08 22:26:52,068 INFO [main.py:798]
{rank 0/64} MD step = 392400 step time: 00:00:00.161515 Performance: 66.880 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:26:59,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392400 78480 59.421 -32698 6512.7 -39210 -39210 -0.00022858 -0.00055241 -0.00027621 6.8501e+05 2024-05-08 22:27:14,756 INFO [main.py:798]
{rank 0/64} MD step = 392500 step time: 00:00:00.150644 Performance: 66.882 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-08 22:27:22,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392500 78500 60.575 -32413 6639.1 -39052 -39052 -0.00041907 -0.00057146 -0.00016191 6.8519e+05 2024-05-08 22:27:38,097 INFO [main.py:798]
{rank 0/64} MD step = 392600 step time: 00:00:00.157216 Performance: 66.883 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:27:47,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392600 78520 60.588 -32536 6640.5 -39176 -39176 -0.0003143 -0.00053336 -0.00022858 6.8535e+05 2024-05-08 22:28:03,589 INFO [main.py:798]
{rank 0/64} MD step = 392700 step time: 00:00:00.152820 Performance: 66.883 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:28:10,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392700 78540 59.506 -32610 6521.9 -39132 -39132 -0.00045717 -0.00041907 -0.00045717 6.8553e+05 2024-05-08 22:28:27,019 INFO [main.py:798]
{rank 0/64} MD step = 392800 step time: 00:00:00.144378 Performance: 66.885 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:28:33,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392800 78560 60.675 -32481 6650.1 -39131 -39131 -0.00050479 -0.00034288 -0.00062861 6.857e+05 2024-05-08 22:28:48,875 INFO [main.py:798]
{rank 0/64} MD step = 392900 step time: 00:00:00.155879 Performance: 66.888 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:28:54,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392900 78580 60.782 -32640 6661.7 -39301 -39301 -3.8097e-05 -0.00037145 -0.00061908 6.8584e+05 2024-05-08 22:29:11,393 INFO [main.py:798]
{rank 0/64} MD step = 393000 step time: 00:00:00.151548 Performance: 66.890 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:29:17,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393000 78600 59.34 -32762 6503.7 -39266 -39266 -0.00034288 -0.00038097 -0.00059051 6.8602e+05 2024-05-08 22:29:33,833 INFO [main.py:798]
{rank 0/64} MD step = 393100 step time: 00:00:00.157015 Performance: 66.892 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:29:37,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393100 78620 60.291 -32490 6608 -39098 -39098 -0.00038097 4.286e-05 -0.00045717 6.8625e+05 2024-05-08 22:29:56,420 INFO [main.py:798]
{rank 0/64} MD step = 393200 step time: 00:00:00.164546 Performance: 66.894 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:30:02,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393200 78640 60.099 -32563 6587 -39150 -39150 -0.00028573 -0.00047622 -0.00034288 6.8641e+05 2024-05-08 22:30:18,773 INFO [main.py:798]
{rank 0/64} MD step = 393300 step time: 00:00:00.165128 Performance: 66.897 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:30:27,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393300 78660 59.726 -32525 6546.1 -39071 -39071 -0.00050479 -0.00028573 -0.00045717 6.866e+05 2024-05-08 22:30:43,425 INFO [main.py:798]
{rank 0/64} MD step = 393400 step time: 00:00:00.159535 Performance: 66.897 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:30:50,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393400 78680 59.959 -32605 6571.6 -39177 -39177 -0.0003905 -0.0006667 -0.00038097 6.8675e+05 2024-05-08 22:31:07,252 INFO [main.py:798]
{rank 0/64} MD step = 393500 step time: 00:00:00.154314 Performance: 66.899 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 22:31:13,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393500 78700 59.863 -32603 6561 -39164 -39164 -4.7622e-05 -0.00041907 -0.00021906 6.8692e+05 2024-05-08 22:31:30,071 INFO [main.py:798]
{rank 0/64} MD step = 393600 step time: 00:00:00.161996 Performance: 66.901 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:31:37,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393600 78720 60.044 -32529 6580.9 -39110 -39110 2.8573e-05 -0.00022858 -0.00057146 6.8706e+05 2024-05-08 22:31:52,477 INFO [main.py:798]
{rank 0/64} MD step = 393700 step time: 00:00:00.153340 Performance: 66.903 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:32:00,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393700 78740 60.1 -32597 6587 -39184 -39184 -0.00030954 -0.00049527 -0.00010477 6.8724e+05 2024-05-08 22:32:16,339 INFO [main.py:798]
{rank 0/64} MD step = 393800 step time: 00:00:00.165053 Performance: 66.904 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:32:22,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393800 78760 60.435 -32543 6623.7 -39167 -39167 -0.00029525 -0.00036193 -0.000781 6.8743e+05 2024-05-08 22:32:38,462 INFO [main.py:798]
{rank 0/64} MD step = 393900 step time: 00:00:00.143943 Performance: 66.907 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:32:45,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393900 78780 60.682 -32511 6650.9 -39162 -39162 -0.00034288 -0.00045717 -0.00064766 6.8757e+05 2024-05-08 22:33:01,129 INFO [main.py:798]
{rank 0/64} MD step = 394000 step time: 00:00:00.160793 Performance: 66.909 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:33:06,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394000 78800 59.602 -32694 6532.5 -39226 -39226 -0.00044764 -0.00041907 -0.00065718 6.8778e+05 2024-05-08 22:33:22,649 INFO [main.py:798]
{rank 0/64} MD step = 394100 step time: 00:00:00.154137 Performance: 66.911 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:33:28,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394100 78820 60.432 -32455 6623.4 -39078 -39078 -0.00030478 -0.00045717 -0.00054289 6.8799e+05 2024-05-08 22:33:45,956 INFO [main.py:798]
{rank 0/64} MD step = 394200 step time: 00:00:00.159756 Performance: 66.913 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:33:55,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394200 78840 60.681 -32588 6650.7 -39238 -39238 -0.00048574 -0.00030478 -0.00022858 6.8812e+05 2024-05-08 22:34:11,176 INFO [main.py:798]
{rank 0/64} MD step = 394300 step time: 00:00:00.158628 Performance: 66.914 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:34:17,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394300 78860 60.058 -32506 6582.4 -39088 -39088 -0.00041907 -0.00055241 -0.00055241 6.8834e+05 2024-05-08 22:34:33,480 INFO [main.py:798]
{rank 0/64} MD step = 394400 step time: 00:00:00.156636 Performance: 66.916 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-08 22:34:41,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394400 78880 60.936 -32402 6678.6 -39081 -39081 -0.00038097 -0.00044764 -0.0003143 6.8853e+05 2024-05-08 22:34:57,743 INFO [main.py:798]
{rank 0/64} MD step = 394500 step time: 00:00:00.148213 Performance: 66.917 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:35:03,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394500 78900 60.202 -32599 6598.2 -39197 -39197 -0.00029525 -0.00043812 -0.00060956 6.887e+05 2024-05-08 22:35:19,652 INFO [main.py:798]
{rank 0/64} MD step = 394600 step time: 00:00:00.160609 Performance: 66.919 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:35:25,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394600 78920 59.921 -32637 6567.4 -39204 -39204 -0.00022858 -0.00030478 -9.5243e-05 6.8886e+05 2024-05-08 22:35:43,301 INFO [main.py:798]
{rank 0/64} MD step = 394700 step time: 00:00:00.163219 Performance: 66.921 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:35:49,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394700 78940 59.613 -32512 6533.7 -39046 -39046 0.00017144 -0.00053336 3.8097e-05 6.8905e+05 2024-05-08 22:36:05,991 INFO [main.py:798]
{rank 0/64} MD step = 394800 step time: 00:00:00.154268 Performance: 66.923 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:36:10,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394800 78960 60.051 -32619 6581.7 -39201 -39201 -0.00034288 -0.00045717 -0.00062861 6.8921e+05 2024-05-08 22:36:27,850 INFO [main.py:798]
{rank 0/64} MD step = 394900 step time: 00:00:00.157893 Performance: 66.926 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:36:35,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394900 78980 60.894 -32445 6674 -39119 -39119 0.00017144 -0.00036193 -0.00051431 6.8938e+05 2024-05-08 22:36:51,178 INFO [main.py:798]
{rank 0/64} MD step = 395000 step time: 00:00:00.155812 Performance: 66.927 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:36:56,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395000 79000 59.173 -32661 6485.4 -39147 -39147 0.00053336 -0.00028097 -0.00062861 6.8955e+05 2024-05-08 22:37:12,355 INFO [main.py:798]
{rank 0/64} MD step = 395100 step time: 00:00:00.162493 Performance: 66.930 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:37:20,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395100 79020 60.652 -32611 6647.6 -39259 -39259 -0.00053336 -0.0007429 -0.00040955 6.8969e+05 2024-05-08 22:37:36,629 INFO [main.py:798]
{rank 0/64} MD step = 395200 step time: 00:00:00.157506 Performance: 66.931 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:37:42,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395200 79040 60.179 -32589 6595.7 -39185 -39185 0.00052384 -0.00049527 -0.00047622 6.899e+05 2024-05-08 22:37:58,726 INFO [main.py:798]
{rank 0/64} MD step = 395300 step time: 00:00:00.155334 Performance: 66.934 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-08 22:38:05,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395300 79060 61.23 -32367 6710.9 -39078 -39078 -0.00030478 -0.0006667 -0.00076195 6.9009e+05 2024-05-08 22:38:21,913 INFO [main.py:798]
{rank 0/64} MD step = 395400 step time: 00:00:00.158881 Performance: 66.935 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-08 22:38:28,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395400 79080 61.096 -32415 6696.2 -39111 -39111 -0.00038097 -0.00024763 0.00017144 6.9025e+05 2024-05-08 22:38:44,022 INFO [main.py:798]
{rank 0/64} MD step = 395500 step time: 00:00:00.161019 Performance: 66.938 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-08 22:38:51,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395500 79100 59.637 -32543 6536.3 -39080 -39080 -0.00021906 -0.00051431 -0.0002524 6.9045e+05 2024-05-08 22:39:07,245 INFO [main.py:798]
{rank 0/64} MD step = 395600 step time: 00:00:00.153463 Performance: 66.940 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-08 22:39:12,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395600 79120 59.952 -32499 6570.8 -39070 -39070 0.00029525 -0.00064766 -0.00054289 6.9061e+05 2024-05-08 22:39:30,207 INFO [main.py:798]
{rank 0/64} MD step = 395700 step time: 00:00:00.150998 Performance: 66.941 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-08 22:39:39,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395700 79140 59.13 -32587 6480.7 -39067 -39067 -9.5243e-05 -0.00041907 -0.000781 6.9079e+05 2024-05-08 22:39:55,717 INFO [main.py:798]
{rank 0/64} MD step = 395800 step time: 00:00:00.154880 Performance: 66.942 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-08 22:40:02,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395800 79160 59.417 -32587 6512.2 -39099 -39099 -0.00036193 -0.00058099 8.5719e-05 6.9096e+05 2024-05-08 22:40:17,935 INFO [main.py:798]
{rank 0/64} MD step = 395900 step time: 00:00:00.158164 Performance: 66.944 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-08 22:40:26,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395900 79180 59.871 -32580 6561.9 -39142 -39142 -0.0003905 -0.00029525 -0.00019049 6.9111e+05 2024-05-08 22:40:42,985 INFO [main.py:798]
{rank 0/64} MD step = 396000 step time: 00:00:00.164796 Performance: 66.944 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-08 22:40:49,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396000 79200 59.41 -32613 6511.4 -39125 -39125 -0.00033335 -0.00038097 -0.0007429 6.9125e+05 2024-05-08 22:41:06,970 INFO [main.py:798]
{rank 0/64} MD step = 396100 step time: 00:00:00.147702 Performance: 66.946 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-08 22:41:15,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396100 79220 60.56 -32464 6637.5 -39101 -39101 -0.00050003 -0.00040002 -0.00041907 6.9141e+05 2024-05-08 22:41:30,708 INFO [main.py:798]
{rank 0/64} MD step = 396200 step time: 00:00:00.147126 Performance: 66.947 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-08 22:41:36,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396200 79240 60.066 -32660 6583.3 -39243 -39243 -0.00027621 -0.00037145 -3.8097e-05 6.9158e+05 2024-05-08 22:41:52,632 INFO [main.py:798]
{rank 0/64} MD step = 396300 step time: 00:00:00.148801 Performance: 66.950 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-08 22:41:59,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396300 79260 59.707 -32560 6544 -39104 -39104 -0.00038097 -0.00041907 -0.00051431 6.9177e+05 2024-05-08 22:42:15,781 INFO [main.py:798]
{rank 0/64} MD step = 396400 step time: 00:00:00.151172 Performance: 66.951 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-08 22:42:23,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396400 79280 59.534 -32615 6525 -39140 -39140 -0.00036193 -0.00045717 -0.0006667 6.9192e+05 2024-05-08 22:42:39,155 INFO [main.py:798]
{rank 0/64} MD step = 396500 step time: 00:00:00.161050 Performance: 66.953 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:42:46,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396500 79300 60.342 -32521 6613.5 -39135 -39135 -0.00019049 -0.00037145 -0.00049527 6.921e+05 2024-05-08 22:43:02,706 INFO [main.py:798]
{rank 0/64} MD step = 396600 step time: 00:00:00.167100 Performance: 66.954 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:43:08,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396600 79320 60.124 -32534 6589.7 -39124 -39124 -0.00041907 -0.00064766 -0.0006667 6.9229e+05 2024-05-08 22:43:24,942 INFO [main.py:798]
{rank 0/64} MD step = 396700 step time: 00:00:00.149394 Performance: 66.957 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:43:31,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396700 79340 60.009 -32566 6577.1 -39143 -39143 -0.0004286 -0.00047622 -0.00056194 6.9246e+05 2024-05-08 22:43:47,375 INFO [main.py:798]
{rank 0/64} MD step = 396800 step time: 00:00:00.149695 Performance: 66.959 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:43:54,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396800 79360 59.828 -32519 6557.3 -39077 -39077 -0.00053336 -0.00030478 -0.00015239 6.9262e+05 2024-05-08 22:44:10,174 INFO [main.py:798]
{rank 0/64} MD step = 396900 step time: 00:00:00.156088 Performance: 66.961 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:44:21,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396900 79380 60.383 -32424 6618 -39042 -39042 -0.00026668 -0.00038097 -0.00064766 6.928e+05 2024-05-08 22:44:37,389 INFO [main.py:798]
{rank 0/64} MD step = 397000 step time: 00:00:00.155513 Performance: 66.960 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:44:41,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397000 79400 59.883 -32663 6563.2 -39226 -39226 -0.00013334 -0.0005286 -0.00068575 6.9296e+05 2024-05-08 22:44:58,433 INFO [main.py:798]
{rank 0/64} MD step = 397100 step time: 00:00:00.141564 Performance: 66.963 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:45:04,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397100 79420 60.135 -32471 6590.9 -39062 -39062 -0.00043812 -0.00060956 -0.00030478 6.9314e+05 2024-05-08 22:45:20,302 INFO [main.py:798]
{rank 0/64} MD step = 397200 step time: 00:00:00.147943 Performance: 66.966 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:45:26,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397200 79440 59.761 -32615 6549.9 -39165 -39165 -0.00032383 -0.00026668 -0.0007048 6.933e+05 2024-05-08 22:45:43,081 INFO [main.py:798]
{rank 0/64} MD step = 397300 step time: 00:00:00.157367 Performance: 66.968 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 22:45:49,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397300 79460 60.718 -32443 6654.8 -39098 -39098 0.00025716 -0.00041907 -0.00045717 6.9348e+05 2024-05-08 22:46:05,307 INFO [main.py:798]
{rank 0/64} MD step = 397400 step time: 00:00:00.154753 Performance: 66.970 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:46:12,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397400 79480 60.263 -32430 6604.9 -39034 -39034 -0.0004286 -0.00026668 -0.00024763 6.9364e+05 2024-05-08 22:46:27,856 INFO [main.py:798]
{rank 0/64} MD step = 397500 step time: 00:00:00.158081 Performance: 66.972 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:46:33,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397500 79500 60.442 -32511 6624.5 -39136 -39136 -0.0003143 -0.00049527 -0.00052384 6.938e+05 2024-05-08 22:46:49,787 INFO [main.py:798]
{rank 0/64} MD step = 397600 step time: 00:00:00.157490 Performance: 66.975 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:46:55,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397600 79520 60.253 -32470 6603.8 -39074 -39074 -0.00030478 -0.00027621 -0.00051431 6.94e+05 2024-05-08 22:47:11,315 INFO [main.py:798]
{rank 0/64} MD step = 397700 step time: 00:00:00.155356 Performance: 66.977 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:47:18,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397700 79540 60.529 -32533 6634.1 -39167 -39167 -7.6195e-05 -0.00043812 -0.00041907 6.9417e+05 2024-05-08 22:47:34,612 INFO [main.py:798]
{rank 0/64} MD step = 397800 step time: 00:00:00.159055 Performance: 66.979 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:47:44,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397800 79560 59.544 -32577 6526.1 -39103 -39103 -0.00020001 -0.00019049 -0.00032383 6.9435e+05 2024-05-08 22:48:00,616 INFO [main.py:798]
{rank 0/64} MD step = 397900 step time: 00:00:00.157027 Performance: 66.979 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:48:08,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397900 79580 59.383 -32505 6508.4 -39013 -39013 -0.00017144 -0.00044764 -0.00041907 6.9457e+05 2024-05-08 22:48:26,718 INFO [main.py:798]
{rank 0/64} MD step = 398000 step time: 00:00:00.162441 Performance: 66.979 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:48:35,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398000 79600 60.815 -32437 6665.4 -39102 -39102 -0.00027621 -0.00053336 -0.00038097 6.9471e+05 2024-05-08 22:48:50,992 INFO [main.py:798]
{rank 0/64} MD step = 398100 step time: 00:00:00.163131 Performance: 66.980 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:48:57,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398100 79620 60.285 -32777 6607.3 -39384 -39384 -0.0001762 -0.00030478 -0.00038097 6.9488e+05 2024-05-08 22:49:13,529 INFO [main.py:798]
{rank 0/64} MD step = 398200 step time: 00:00:00.162140 Performance: 66.982 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:49:20,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398200 79640 60.061 -32520 6582.8 -39102 -39102 -0.00041907 -0.00017144 -0.00036193 6.951e+05 2024-05-08 22:49:36,223 INFO [main.py:798]
{rank 0/64} MD step = 398300 step time: 00:00:00.156411 Performance: 66.984 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-08 22:49:43,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398300 79660 59.743 -32514 6547.9 -39062 -39062 -0.00041907 -0.00036669 -0.00059051 6.9525e+05 2024-05-08 22:49:58,564 INFO [main.py:798]
{rank 0/64} MD step = 398400 step time: 00:00:00.144969 Performance: 66.986 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-08 22:50:04,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398400 79680 60.831 -32520 6667.2 -39187 -39187 -0.00045717 -0.00055241 -0.00068575 6.9538e+05 2024-05-08 22:50:19,915 INFO [main.py:798]
{rank 0/64} MD step = 398500 step time: 00:00:00.149776 Performance: 66.989 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-08 22:50:25,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398500 79700 59.598 -32644 6532 -39176 -39176 -0.00020954 -0.00049527 -0.00045717 6.9561e+05 2024-05-08 22:50:41,293 INFO [main.py:798]
{rank 0/64} MD step = 398600 step time: 00:00:00.163097 Performance: 66.992 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-08 22:50:47,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398600 79720 59.772 -32661 6551.1 -39212 -39212 -0.00022858 -0.00053336 -3.8097e-05 6.9573e+05 2024-05-08 22:51:03,954 INFO [main.py:798]
{rank 0/64} MD step = 398700 step time: 00:00:00.158365 Performance: 66.994 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-08 22:51:11,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398700 79740 59.863 -32558 6561.1 -39119 -39119 -0.00040955 -0.00028573 -0.00062861 6.959e+05 2024-05-08 22:51:26,836 INFO [main.py:798]
{rank 0/64} MD step = 398800 step time: 00:00:00.153970 Performance: 66.996 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-08 22:51:33,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398800 79760 60.06 -32447 6582.6 -39030 -39030 -0.00011429 -0.00043812 -0.00012382 6.961e+05 2024-05-08 22:51:49,888 INFO [main.py:798]
{rank 0/64} MD step = 398900 step time: 00:00:00.174970 Performance: 66.998 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-08 22:51:56,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398900 79780 59.086 -32809 6475.9 -39285 -39285 -0.00032383 -0.00043812 -0.00033335 6.9621e+05 2024-05-08 22:52:11,717 INFO [main.py:798]
{rank 0/64} MD step = 399000 step time: 00:00:00.168982 Performance: 67.000 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-08 22:52:15,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399000 79800 58.844 -32745 6449.4 -39195 -39195 -5.7146e-05 -0.00024763 -0.00072385 6.9642e+05 2024-05-08 22:52:33,100 INFO [main.py:798]
{rank 0/64} MD step = 399100 step time: 00:00:00.171836 Performance: 67.003 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-08 22:52:39,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399100 79820 60.608 -32560 6642.7 -39203 -39203 -0.00026668 -0.00054289 -0.00026668 6.9661e+05 2024-05-08 22:52:54,636 INFO [main.py:798]
{rank 0/64} MD step = 399200 step time: 00:00:00.160077 Performance: 67.006 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:53:01,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399200 79840 61.009 -32469 6686.7 -39156 -39156 -0.00012382 -0.00030478 -0.00072385 6.968e+05 2024-05-08 22:53:16,718 INFO [main.py:798]
{rank 0/64} MD step = 399300 step time: 00:00:00.158143 Performance: 67.008 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:53:22,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399300 79860 59.984 -32520 6574.4 -39094 -39094 -0.0003524 -0.00049527 -0.00063337 6.9699e+05 2024-05-08 22:53:37,912 INFO [main.py:798]
{rank 0/64} MD step = 399400 step time: 00:00:00.150073 Performance: 67.011 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:53:50,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399400 79880 59.284 -32735 6497.6 -39233 -39233 -0.00032383 -0.00053336 -0.00029525 6.9713e+05 2024-05-08 22:54:05,404 INFO [main.py:798]
{rank 0/64} MD step = 399500 step time: 00:00:00.153084 Performance: 67.010 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:54:12,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399500 79900 59.258 -32668 6494.7 -39163 -39163 -0.00040002 -0.00034288 -0.00011429 6.9733e+05 2024-05-08 22:54:28,113 INFO [main.py:798]
{rank 0/64} MD step = 399600 step time: 00:00:00.155656 Performance: 67.012 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:54:34,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399600 79920 60.017 -32454 6578 -39032 -39032 -0.00012382 -0.00032383 0.00010477 6.9752e+05 2024-05-08 22:54:50,322 INFO [main.py:798]
{rank 0/64} MD step = 399700 step time: 00:00:00.155228 Performance: 67.014 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:54:56,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399700 79940 59.798 -32529 6553.9 -39083 -39083 -0.00024763 -0.00041907 -0.00055241 6.9768e+05 2024-05-08 22:55:12,154 INFO [main.py:798]
{rank 0/64} MD step = 399800 step time: 00:00:00.161422 Performance: 67.017 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:55:18,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399800 79960 60.742 -32389 6657.4 -39047 -39047 -0.00036669 -0.0004286 -0.00038097 6.9783e+05 2024-05-08 22:55:34,201 INFO [main.py:798]
{rank 0/64} MD step = 399900 step time: 00:00:00.162192 Performance: 67.019 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:55:43,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399900 79980 59.843 -32611 6558.9 -39170 -39170 -0.00033335 -0.00030478 -0.00052384 6.9802e+05 2024-05-08 22:55:59,793 INFO [main.py:798]
{rank 0/64} MD step = 400000 step time: 00:00:00.156874 Performance: 67.020 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-08 22:56:06,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400000 80000 59.967 -32511 6572.5 -39083 -39083 -0.00040002 -0.00033335 -0.00064766 6.9821e+05 2024-05-08 22:56:22,174 INFO [main.py:798]
{rank 0/64} MD step = 400100 step time: 00:00:00.163371 Performance: 67.022 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:56:27,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400100 80020 60.619 -32467 6643.9 -39111 -39111 -0.00029525 -0.00030478 -0.00076195 6.9837e+05 2024-05-08 22:56:43,809 INFO [main.py:798]
{rank 0/64} MD step = 400200 step time: 00:00:00.147321 Performance: 67.024 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:56:49,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400200 80040 59.671 -32683 6540 -39223 -39223 -0.00030002 -0.00037145 -0.0003905 6.9848e+05 2024-05-08 22:57:06,161 INFO [main.py:798]
{rank 0/64} MD step = 400300 step time: 00:00:00.152677 Performance: 67.027 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:57:12,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400300 80060 59.808 -32621 6555 -39176 -39176 -0.00022858 -0.00043812 -0.00062384 6.9868e+05 2024-05-08 22:57:29,315 INFO [main.py:798]
{rank 0/64} MD step = 400400 step time: 00:00:00.155786 Performance: 67.028 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:57:36,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400400 80080 59.475 -32636 6518.5 -39154 -39154 -0.00034288 -0.00026668 -0.00043812 6.9887e+05 2024-05-08 22:57:51,980 INFO [main.py:798]
{rank 0/64} MD step = 400500 step time: 00:00:00.153455 Performance: 67.030 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:58:05,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400500 80100 60.145 -32526 6592 -39118 -39118 -0.00012382 -0.00032383 -3.8097e-05 6.9906e+05 2024-05-08 22:58:21,593 INFO [main.py:798]
{rank 0/64} MD step = 400600 step time: 00:00:00.156681 Performance: 67.028 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:58:27,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400600 80120 59.545 -32678 6526.2 -39205 -39205 -0.00045717 -0.00057146 -0.00064766 6.9922e+05 2024-05-08 22:58:43,481 INFO [main.py:798]
{rank 0/64} MD step = 400700 step time: 00:00:00.154805 Performance: 67.030 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:58:49,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400700 80140 60.546 -32528 6636 -39164 -39164 -0.00021906 -0.00051431 -0.0003524 6.9939e+05 2024-05-08 22:59:05,096 INFO [main.py:798]
{rank 0/64} MD step = 400800 step time: 00:00:00.157774 Performance: 67.033 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:59:11,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400800 80160 60.205 -32579 6598.6 -39178 -39178 -0.00015239 -0.00025716 -3.8097e-05 6.9955e+05 2024-05-08 22:59:27,571 INFO [main.py:798]
{rank 0/64} MD step = 400900 step time: 00:00:00.155558 Performance: 67.035 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 22:59:35,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400900 80180 59.914 -32680 6566.7 -39247 -39247 -0.00012382 -0.00051908 -0.00068575 6.9974e+05 2024-05-08 22:59:51,590 INFO [main.py:798]
{rank 0/64} MD step = 401000 step time: 00:00:00.158672 Performance: 67.036 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 23:00:01,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401000 80200 60.254 -32597 6603.9 -39200 -39200 -0.00010477 -0.00030478 -0.00022858 6.999e+05 2024-05-08 23:00:17,348 INFO [main.py:798]
{rank 0/64} MD step = 401100 step time: 00:00:00.161415 Performance: 67.036 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-08 23:00:23,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401100 80220 59.866 -32579 6561.3 -39140 -39140 -0.00050479 -0.00035716 -0.00043812 7.001e+05 2024-05-08 23:00:40,325 INFO [main.py:798]
{rank 0/64} MD step = 401200 step time: 00:00:00.165535 Performance: 67.038 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:00:46,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401200 80240 59.759 -32633 6549.7 -39182 -39182 -0.00027621 -0.00038097 -9.5243e-05 7.0028e+05 2024-05-08 23:01:01,529 INFO [main.py:798]
{rank 0/64} MD step = 401300 step time: 00:00:00.149639 Performance: 67.041 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:01:12,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401300 80260 59.07 -32675 6474.1 -39149 -39149 -0.00015239 -0.00051431 -0.00057146 7.0045e+05 2024-05-08 23:01:29,171 INFO [main.py:798]
{rank 0/64} MD step = 401400 step time: 00:00:00.168463 Performance: 67.040 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:01:35,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401400 80280 60.604 -32500 6642.2 -39143 -39143 -0.00024763 -0.00055241 -0.00077147 7.0063e+05 2024-05-08 23:01:52,484 INFO [main.py:798]
{rank 0/64} MD step = 401500 step time: 00:00:00.180108 Performance: 67.042 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:01:59,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401500 80300 60.483 -32588 6629 -39217 -39217 0.00015239 -0.00040002 -0.00045717 7.0079e+05 2024-05-08 23:02:14,599 INFO [main.py:798]
{rank 0/64} MD step = 401600 step time: 00:00:00.162872 Performance: 67.044 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:02:20,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401600 80320 60.895 -32529 6674.2 -39203 -39203 -0.00034288 -0.00073814 -9.5243e-05 7.0096e+05 2024-05-08 23:02:36,373 INFO [main.py:798]
{rank 0/64} MD step = 401700 step time: 00:00:00.159248 Performance: 67.047 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:02:42,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401700 80340 59.955 -32697 6571.1 -39268 -39268 0.00019049 -0.00034288 -0.0004405 7.0113e+05 2024-05-08 23:02:57,715 INFO [main.py:798]
{rank 0/64} MD step = 401800 step time: 00:00:00.143917 Performance: 67.049 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:03:10,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401800 80360 60.279 -32633 6606.6 -39240 -39240 -0.00036193 -0.00054289 -0.00045717 7.0129e+05 2024-05-08 23:03:29,066 INFO [main.py:798]
{rank 0/64} MD step = 401900 step time: 00:00:00.150589 Performance: 67.046 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:03:36,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401900 80380 59.711 -32698 6544.4 -39242 -39242 -0.00018096 -0.00022858 -0.00022858 7.0147e+05 2024-05-08 23:03:51,955 INFO [main.py:798]
{rank 0/64} MD step = 402000 step time: 00:00:00.157417 Performance: 67.048 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:04:00,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402000 80400 60.451 -32495 6625.5 -39120 -39120 -0.00023811 -0.0003524 -0.00045717 7.0163e+05 2024-05-08 23:04:16,209 INFO [main.py:798]
{rank 0/64} MD step = 402100 step time: 00:00:00.157875 Performance: 67.049 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:04:21,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402100 80420 59.429 -32582 6513.5 -39096 -39096 -0.00030478 -0.00043812 -0.00046669 7.0181e+05 2024-05-08 23:04:36,692 INFO [main.py:798]
{rank 0/64} MD step = 402200 step time: 00:00:00.158835 Performance: 67.052 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-08 23:04:42,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402200 80440 59.916 -32541 6566.9 -39108 -39108 -0.00030478 -0.00041907 -9.5243e-06 7.0196e+05 2024-05-08 23:04:57,813 INFO [main.py:798]
{rank 0/64} MD step = 402300 step time: 00:00:00.157296 Performance: 67.055 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:05:07,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402300 80460 59.704 -32646 6543.7 -39190 -39190 -0.00024763 -0.0004905 -0.00072385 7.0214e+05 2024-05-08 23:05:22,743 INFO [main.py:798]
{rank 0/64} MD step = 402400 step time: 00:00:00.168113 Performance: 67.056 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:05:31,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402400 80480 60.613 -32384 6643.3 -39027 -39027 -0.00017144 -0.00040002 -0.00055241 7.0233e+05 2024-05-08 23:05:47,303 INFO [main.py:798]
{rank 0/64} MD step = 402500 step time: 00:00:00.170863 Performance: 67.056 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:05:53,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402500 80500 59.663 -32585 6539.1 -39124 -39124 -0.00029049 -0.00049527 -0.00015239 7.0248e+05 2024-05-08 23:06:08,100 INFO [main.py:798]
{rank 0/64} MD step = 402600 step time: 00:00:00.152246 Performance: 67.060 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:06:18,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402600 80520 59.711 -32616 6544.4 -39160 -39160 -0.00045717 -0.00045717 -0.00026668 7.0268e+05 2024-05-08 23:06:33,804 INFO [main.py:798]
{rank 0/64} MD step = 402700 step time: 00:00:00.165170 Performance: 67.060 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:06:40,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402700 80540 59.61 -32491 6533.4 -39025 -39025 -0.0003143 -0.00041907 -0.0003905 7.0289e+05 2024-05-08 23:06:55,548 INFO [main.py:798]
{rank 0/64} MD step = 402800 step time: 00:00:00.191465 Performance: 67.062 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:07:03,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402800 80560 60.975 -32481 6682.9 -39164 -39164 -0.00034288 -0.00052384 -1.9049e-05 7.0305e+05 2024-05-08 23:07:18,959 INFO [main.py:798]
{rank 0/64} MD step = 402900 step time: 00:00:00.156522 Performance: 67.064 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:07:25,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402900 80580 59.553 -32598 6527.1 -39125 -39125 -0.00030954 -0.00041907 -0.00057146 7.0321e+05 2024-05-08 23:07:41,591 INFO [main.py:798]
{rank 0/64} MD step = 403000 step time: 00:00:00.155039 Performance: 67.066 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:07:47,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403000 80600 60.639 -32503 6646.1 -39150 -39150 -0.00017144 -0.00044764 -0.00048574 7.0338e+05 2024-05-08 23:08:03,386 INFO [main.py:798]
{rank 0/64} MD step = 403100 step time: 00:00:00.160077 Performance: 67.068 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:08:11,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403100 80620 60.453 -32272 6625.7 -38898 -38898 -0.00013334 -0.00038097 -7.6195e-05 7.0364e+05 2024-05-08 23:08:27,026 INFO [main.py:798]
{rank 0/64} MD step = 403200 step time: 00:00:00.156503 Performance: 67.070 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:08:37,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403200 80640 59.181 -32546 6486.4 -39032 -39032 -0.00022858 -0.00026668 -0.00040002 7.0379e+05 2024-05-08 23:08:53,003 INFO [main.py:798]
{rank 0/64} MD step = 403300 step time: 00:00:00.155250 Performance: 67.070 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:08:59,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403300 80660 59.601 -32656 6532.4 -39188 -39188 0.00028573 -0.00053336 -0.00064766 7.0395e+05 2024-05-08 23:09:14,991 INFO [main.py:798]
{rank 0/64} MD step = 403400 step time: 00:00:00.155528 Performance: 67.072 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 23:09:20,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403400 80680 60.158 -32587 6593.4 -39180 -39180 -0.00048574 -0.00040955 -0.00058099 7.0413e+05 2024-05-08 23:09:38,509 INFO [main.py:798]
{rank 0/64} MD step = 403500 step time: 00:00:00.168374 Performance: 67.074 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:09:46,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403500 80700 58.643 -32790 6427.4 -39217 -39217 -0.00026668 -0.00041907 -0.00059051 7.0429e+05 2024-05-08 23:10:02,060 INFO [main.py:798]
{rank 0/64} MD step = 403600 step time: 00:00:00.156402 Performance: 67.075 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:10:08,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403600 80720 60.499 -32495 6630.7 -39125 -39125 0.00016191 -0.00056194 -0.00068575 7.045e+05 2024-05-08 23:10:24,525 INFO [main.py:798]
{rank 0/64} MD step = 403700 step time: 00:00:00.151122 Performance: 67.077 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:10:34,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403700 80740 59.926 -32468 6567.9 -39036 -39036 -0.00041907 -0.00025716 -0.00059051 7.0469e+05 2024-05-08 23:10:50,377 INFO [main.py:798]
{rank 0/64} MD step = 403800 step time: 00:00:00.155860 Performance: 67.077 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:10:56,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403800 80760 60.466 -32427 6627.1 -39054 -39054 -0.00045717 -0.00060956 -0.00045717 7.0485e+05 2024-05-08 23:11:12,337 INFO [main.py:798]
{rank 0/64} MD step = 403900 step time: 00:00:00.160536 Performance: 67.079 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:11:19,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403900 80780 59.665 -32571 6539.3 -39110 -39110 -0.00020954 -0.00049527 0 7.0504e+05 2024-05-08 23:11:36,299 INFO [main.py:798]
{rank 0/64} MD step = 404000 step time: 00:00:00.196772 Performance: 67.081 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:11:44,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404000 80800 58.828 -32457 6447.6 -38905 -38905 -0.00030478 -0.00055241 -0.00045717 7.0524e+05 2024-05-08 23:12:02,921 INFO [main.py:798]
{rank 0/64} MD step = 404100 step time: 00:00:00.151372 Performance: 67.080 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:12:08,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404100 80820 60.556 -32428 6637 -39065 -39065 -0.00013334 -0.00011429 -0.00053336 7.0538e+05 2024-05-08 23:12:24,870 INFO [main.py:798]
{rank 0/64} MD step = 404200 step time: 00:00:00.154059 Performance: 67.083 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:12:32,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404200 80840 60.884 -32512 6672.9 -39185 -39185 -0.00045717 -0.00040955 -0.00030002 7.0557e+05 2024-05-08 23:12:48,289 INFO [main.py:798]
{rank 0/64} MD step = 404300 step time: 00:00:00.151453 Performance: 67.084 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:12:55,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404300 80860 59.981 -32472 6574 -39046 -39046 -0.00014287 -0.00032383 -0.0003905 7.0577e+05 2024-05-08 23:13:11,399 INFO [main.py:798]
{rank 0/64} MD step = 404400 step time: 00:00:00.162504 Performance: 67.086 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:13:19,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404400 80880 59.882 -32366 6563.2 -38929 -38929 -0.0003905 -0.00036193 -0.00032383 7.0595e+05 2024-05-08 23:13:35,440 INFO [main.py:798]
{rank 0/64} MD step = 404500 step time: 00:00:00.159334 Performance: 67.087 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:13:45,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404500 80900 59.522 -32565 6523.7 -39089 -39089 -0.00049527 -0.00040002 -0.00045717 7.0612e+05 2024-05-08 23:14:00,996 INFO [main.py:798]
{rank 0/64} MD step = 404600 step time: 00:00:00.160375 Performance: 67.087 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:14:09,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404600 80920 60.402 -32456 6620.1 -39076 -39076 -0.00022858 -0.00026668 -0.00024763 7.0629e+05 2024-05-08 23:14:25,010 INFO [main.py:798]
{rank 0/64} MD step = 404700 step time: 00:00:00.151267 Performance: 67.088 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:14:34,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404700 80940 60.883 -32447 6672.9 -39120 -39120 -5.7146e-05 -0.00027621 -0.00071433 7.0646e+05 2024-05-08 23:14:50,021 INFO [main.py:798]
{rank 0/64} MD step = 404800 step time: 00:00:00.148098 Performance: 67.089 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-08 23:14:55,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404800 80960 60.245 -32612 6602.9 -39214 -39214 -0.00047146 -0.00036193 -0.00060956 7.0662e+05 2024-05-08 23:15:14,033 INFO [main.py:798]
{rank 0/64} MD step = 404900 step time: 00:00:00.155620 Performance: 67.090 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-08 23:15:19,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404900 80980 60.12 -32609 6589.3 -39198 -39198 -0.00055241 -0.00041907 -0.00060956 7.0681e+05 2024-05-08 23:15:35,010 INFO [main.py:798]
{rank 0/64} MD step = 405000 step time: 00:00:00.156547 Performance: 67.093 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-08 23:15:41,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405000 81000 59.382 -32562 6508.3 -39070 -39070 -0.00026668 -0.0007048 -0.00058099 7.07e+05 2024-05-08 23:15:57,149 INFO [main.py:798]
{rank 0/64} MD step = 405100 step time: 00:00:00.155188 Performance: 67.095 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-08 23:16:02,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405100 81020 61.342 -32539 6723.2 -39262 -39262 -0.00022858 -0.00061432 -0.00072385 7.0713e+05 2024-05-08 23:16:18,784 INFO [main.py:798]
{rank 0/64} MD step = 405200 step time: 00:00:00.158635 Performance: 67.098 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-08 23:16:25,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405200 81040 60.574 -32476 6639 -39115 -39115 -0.00032383 -0.00038097 -0.00053336 7.0735e+05 2024-05-08 23:16:40,820 INFO [main.py:798]
{rank 0/64} MD step = 405300 step time: 00:00:00.158648 Performance: 67.100 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-08 23:16:47,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405300 81060 59.926 -32594 6567.9 -39162 -39162 -0.00030954 -0.00052384 -0.00030478 7.075e+05 2024-05-08 23:17:03,258 INFO [main.py:798]
{rank 0/64} MD step = 405400 step time: 00:00:00.155069 Performance: 67.102 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-08 23:17:09,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405400 81080 60.46 -32450 6626.4 -39076 -39076 -0.00019049 -0.00033335 -0.00047622 7.0765e+05 2024-05-08 23:17:25,750 INFO [main.py:798]
{rank 0/64} MD step = 405500 step time: 00:00:00.156537 Performance: 67.104 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-08 23:17:31,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405500 81100 59.64 -32645 6536.6 -39182 -39182 -0.00034288 -0.00045717 -0.00056194 7.0785e+05 2024-05-08 23:17:46,884 INFO [main.py:798]
{rank 0/64} MD step = 405600 step time: 00:00:00.141231 Performance: 67.107 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-08 23:17:55,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405600 81120 60.199 -32625 6597.9 -39223 -39223 -0.00040002 -0.00041907 -0.00057146 7.08e+05 2024-05-08 23:18:11,206 INFO [main.py:798]
{rank 0/64} MD step = 405700 step time: 00:00:00.157617 Performance: 67.108 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-08 23:18:18,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405700 81140 60.593 -32514 6641.1 -39155 -39155 6.667e-05 3.8097e-05 -0.00050479 7.0819e+05 2024-05-08 23:18:34,103 INFO [main.py:798]
{rank 0/64} MD step = 405800 step time: 00:00:00.150687 Performance: 67.110 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-08 23:18:39,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405800 81160 60.085 -32702 6585.4 -39287 -39287 -0.00026668 -0.00036193 -0.00060956 7.0832e+05 2024-05-08 23:18:55,777 INFO [main.py:798]
{rank 0/64} MD step = 405900 step time: 00:00:00.159427 Performance: 67.113 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-08 23:18:59,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405900 81180 60.418 -32628 6621.9 -39250 -39250 -0.00030478 -0.00047622 -0.00049527 7.0849e+05 2024-05-08 23:19:17,038 INFO [main.py:798]
{rank 0/64} MD step = 406000 step time: 00:00:00.157986 Performance: 67.116 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-08 23:19:23,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406000 81200 60.052 -32657 6581.8 -39239 -39239 -0.00043812 -0.0003905 -0.00060956 7.0866e+05 2024-05-08 23:19:39,382 INFO [main.py:798]
{rank 0/64} MD step = 406100 step time: 00:00:00.173731 Performance: 67.118 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-08 23:19:43,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406100 81220 60.478 -32480 6628.5 -39109 -39109 -0.00027621 -0.00043812 -0.00049527 7.0886e+05 2024-05-08 23:20:00,491 INFO [main.py:798]
{rank 0/64} MD step = 406200 step time: 00:00:00.157280 Performance: 67.121 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-08 23:20:07,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406200 81240 59.992 -32689 6575.2 -39264 -39264 -0.00049527 -0.00030478 -0.00036193 7.0901e+05 2024-05-08 23:20:23,147 INFO [main.py:798]
{rank 0/64} MD step = 406300 step time: 00:00:00.156407 Performance: 67.123 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-08 23:20:30,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406300 81260 60.725 -32481 6655.5 -39136 -39136 -0.00032383 -3.5716e-05 -0.00060956 7.0919e+05 2024-05-08 23:20:46,574 INFO [main.py:798]
{rank 0/64} MD step = 406400 step time: 00:00:00.168566 Performance: 67.124 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-08 23:20:53,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406400 81280 59.531 -32634 6524.7 -39159 -39159 -0.00020001 -0.00045717 -0.0003143 7.0936e+05 2024-05-08 23:21:10,228 INFO [main.py:798]
{rank 0/64} MD step = 406500 step time: 00:00:00.168654 Performance: 67.126 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-08 23:21:17,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406500 81300 59.606 -32520 6532.9 -39053 -39053 -0.00026668 -0.0006667 -0.00047622 7.0953e+05 2024-05-08 23:21:33,739 INFO [main.py:798]
{rank 0/64} MD step = 406600 step time: 00:00:00.174132 Performance: 67.127 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-08 23:21:43,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406600 81320 60 -32564 6576.1 -39140 -39140 -0.00032383 -0.00024763 -0.00028573 7.0968e+05 2024-05-08 23:21:59,509 INFO [main.py:798]
{rank 0/64} MD step = 406700 step time: 00:00:00.141128 Performance: 67.127 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-08 23:22:06,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406700 81340 60.002 -32631 6576.3 -39207 -39207 -0.00026668 -0.00038097 -0.00053336 7.0987e+05 2024-05-08 23:22:23,245 INFO [main.py:798]
{rank 0/64} MD step = 406800 step time: 00:00:00.151869 Performance: 67.128 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-08 23:22:31,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406800 81360 60.038 -32586 6580.3 -39166 -39166 -0.00047622 -0.00055241 -0.00051431 7.1006e+05 2024-05-08 23:22:47,576 INFO [main.py:798]
{rank 0/64} MD step = 406900 step time: 00:00:00.145281 Performance: 67.129 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-08 23:22:53,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406900 81380 60.228 -32398 6601.1 -38999 -38999 0.00012382 -0.00024763 0.00015239 7.1028e+05 2024-05-08 23:23:11,574 INFO [main.py:798]
{rank 0/64} MD step = 407000 step time: 00:00:00.144818 Performance: 67.130 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-08 23:23:18,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407000 81400 59.963 -32561 6572 -39133 -39133 -0.00026668 -0.00076195 -0.00024763 7.104e+05 2024-05-08 23:23:34,877 INFO [main.py:798]
{rank 0/64} MD step = 407100 step time: 00:00:00.162037 Performance: 67.132 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-08 23:23:41,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407100 81420 59.957 -32468 6571.3 -39040 -39040 -0.00045717 -7.6195e-05 -0.00043812 7.1059e+05 2024-05-08 23:23:57,168 INFO [main.py:798]
{rank 0/64} MD step = 407200 step time: 00:00:00.144966 Performance: 67.134 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-08 23:24:04,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407200 81440 60.877 -32390 6672.2 -39062 -39062 -4.7622e-05 -0.00032383 -0.00045717 7.1076e+05 2024-05-08 23:24:20,136 INFO [main.py:798]
{rank 0/64} MD step = 407300 step time: 00:00:00.157040 Performance: 67.136 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-08 23:24:27,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407300 81460 59.639 -32613 6536.5 -39150 -39150 -0.00048574 -0.00031907 0.00011905 7.109e+05 2024-05-08 23:24:42,924 INFO [main.py:798]
{rank 0/64} MD step = 407400 step time: 00:00:00.147635 Performance: 67.138 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-08 23:24:48,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407400 81480 60.137 -32616 6591.1 -39207 -39207 -0.0003143 -0.00068575 -0.00045717 7.1109e+05 2024-05-08 23:25:04,586 INFO [main.py:798]
{rank 0/64} MD step = 407500 step time: 00:00:00.165998 Performance: 67.140 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-08 23:25:10,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407500 81500 59.98 -32706 6573.9 -39280 -39280 -0.00040002 -0.00037145 -0.00056194 7.1126e+05 2024-05-08 23:25:27,682 INFO [main.py:798]
{rank 0/64} MD step = 407600 step time: 00:00:00.154512 Performance: 67.142 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:25:39,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407600 81520 60.192 -32528 6597.1 -39125 -39125 -0.00015239 1.9049e-05 -0.00060956 7.1142e+05 2024-05-08 23:25:55,344 INFO [main.py:798]
{rank 0/64} MD step = 407700 step time: 00:00:00.158525 Performance: 67.141 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-08 23:26:02,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407700 81540 59.668 -32494 6539.7 -39034 -39034 -0.0003524 -0.00045717 -0.00053336 7.1165e+05 2024-05-08 23:26:17,745 INFO [main.py:798]
{rank 0/64} MD step = 407800 step time: 00:00:00.171918 Performance: 67.143 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:26:25,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407800 81560 60.345 -32517 6613.9 -39131 -39131 -0.00027621 -3.8097e-05 -0.00015239 7.1178e+05 2024-05-08 23:26:41,234 INFO [main.py:798]
{rank 0/64} MD step = 407900 step time: 00:00:00.158229 Performance: 67.144 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:26:47,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407900 81580 60.118 -32494 6589 -39083 -39083 -0.00026668 -0.00041907 -0.00030478 7.1199e+05 2024-05-08 23:27:03,871 INFO [main.py:798]
{rank 0/64} MD step = 408000 step time: 00:00:00.169438 Performance: 67.146 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:27:09,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408000 81600 60.422 -32375 6622.3 -38998 -38998 4.7622e-05 -0.0003143 7.6195e-05 7.1219e+05 2024-05-08 23:27:24,390 INFO [main.py:798]
{rank 0/64} MD step = 408100 step time: 00:00:00.141856 Performance: 67.150 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:27:30,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408100 81620 59.637 -32568 6536.3 -39104 -39104 -0.00024763 -0.00034288 -0.00036193 7.1233e+05 2024-05-08 23:27:46,631 INFO [main.py:798]
{rank 0/64} MD step = 408200 step time: 00:00:00.152279 Performance: 67.152 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:27:53,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408200 81640 60.835 -32425 6667.6 -39092 -39092 0.00011429 -0.0004286 -0.00061908 7.1251e+05 2024-05-08 23:28:08,875 INFO [main.py:798]
{rank 0/64} MD step = 408300 step time: 00:00:00.158883 Performance: 67.154 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:28:14,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408300 81660 59.448 -32688 6515.6 -39204 -39204 -0.00026668 -0.00039526 -0.00033811 7.1267e+05 2024-05-08 23:28:29,361 INFO [main.py:798]
{rank 0/64} MD step = 408400 step time: 00:00:00.137908 Performance: 67.157 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:28:37,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408400 81680 59.729 -32661 6546.4 -39207 -39207 -7.6195e-05 -0.00028573 -0.00019049 7.1284e+05 2024-05-08 23:28:53,621 INFO [main.py:798]
{rank 0/64} MD step = 408500 step time: 00:00:00.146004 Performance: 67.158 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-08 23:28:59,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408500 81700 59.779 -32488 6551.9 -39040 -39040 -0.00022858 -0.00043812 -0.00067028 7.1303e+05 2024-05-08 23:29:17,224 INFO [main.py:798]
{rank 0/64} MD step = 408600 step time: 00:00:00.158401 Performance: 67.160 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:29:24,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408600 81720 60.786 -32505 6662.2 -39167 -39167 -0.00036193 5.7146e-05 -0.00015239 7.132e+05 2024-05-08 23:29:39,832 INFO [main.py:798]
{rank 0/64} MD step = 408700 step time: 00:00:00.155750 Performance: 67.162 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:29:46,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408700 81740 60.47 -32549 6627.6 -39177 -39177 -0.00034288 -0.00045717 -0.00060003 7.1338e+05 2024-05-08 23:30:02,426 INFO [main.py:798]
{rank 0/64} MD step = 408800 step time: 00:00:00.160476 Performance: 67.164 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:30:08,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408800 81760 60.076 -32581 6584.5 -39165 -39165 0 -0.00034288 -0.00080005 7.1353e+05 2024-05-08 23:30:23,751 INFO [main.py:798]
{rank 0/64} MD step = 408900 step time: 00:00:00.159148 Performance: 67.167 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:30:33,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408900 81780 59.197 -32707 6488.1 -39196 -39196 0.0002143 -0.00043812 -0.00073337 7.137e+05 2024-05-08 23:30:49,278 INFO [main.py:798]
{rank 0/64} MD step = 409000 step time: 00:00:00.155521 Performance: 67.167 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:30:56,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409000 81800 59.759 -32629 6549.7 -39178 -39178 -0.00026668 -0.00026668 9.5243e-06 7.1389e+05 2024-05-08 23:31:12,039 INFO [main.py:798]
{rank 0/64} MD step = 409100 step time: 00:00:00.156613 Performance: 67.169 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:31:18,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409100 81820 60.133 -32593 6590.7 -39184 -39184 -0.00025716 -0.00036193 5.7146e-05 7.1408e+05 2024-05-08 23:31:36,386 INFO [main.py:798]
{rank 0/64} MD step = 409200 step time: 00:00:00.147106 Performance: 67.169 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:31:44,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409200 81840 60.912 -32407 6676.1 -39083 -39083 0.00019049 -0.00044764 -0.00020954 7.1427e+05 2024-05-08 23:31:59,773 INFO [main.py:798]
{rank 0/64} MD step = 409300 step time: 00:00:00.147741 Performance: 67.171 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:32:06,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409300 81860 59.203 -32527 6488.8 -39016 -39016 -0.00049527 -0.00072385 -0.000781 7.1445e+05 2024-05-08 23:32:21,837 INFO [main.py:798]
{rank 0/64} MD step = 409400 step time: 00:00:00.155550 Performance: 67.173 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:32:29,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409400 81880 60.203 -32522 6598.3 -39121 -39121 -0.00030478 -0.00024763 -0.00029525 7.1462e+05 2024-05-08 23:32:44,629 INFO [main.py:798]
{rank 0/64} MD step = 409500 step time: 00:00:00.142934 Performance: 67.175 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:32:57,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409500 81900 60.977 -32457 6683.2 -39140 -39140 -0.00014763 -0.00032383 -0.00013334 7.1481e+05 2024-05-08 23:33:12,889 INFO [main.py:798]
{rank 0/64} MD step = 409600 step time: 00:00:00.138653 Performance: 67.174 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:33:22,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409600 81920 59.581 -32624 6530.1 -39154 -39154 -0.00026668 -0.00048574 -0.00030478 7.1498e+05 2024-05-08 23:33:38,008 INFO [main.py:798]
{rank 0/64} MD step = 409700 step time: 00:00:00.146474 Performance: 67.174 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:33:44,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409700 81940 60.569 -32417 6638.5 -39056 -39056 -0.00050479 -0.00026668 -0.00059051 7.1518e+05 2024-05-08 23:34:00,123 INFO [main.py:798]
{rank 0/64} MD step = 409800 step time: 00:00:00.151089 Performance: 67.176 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:34:09,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409800 81960 60.515 -32668 6632.6 -39300 -39300 -0.00026668 -0.00036193 -0.00053336 7.1533e+05 2024-05-08 23:34:27,500 INFO [main.py:798]
{rank 0/64} MD step = 409900 step time: 00:00:00.149771 Performance: 67.175 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:34:44,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409900 81980 59.849 -32680 6559.5 -39239 -39239 -0.00027621 -0.00020954 -2.3811e-05 7.1551e+05 2024-05-08 23:35:00,472 INFO [main.py:798]
{rank 0/64} MD step = 410000 step time: 00:00:00.146381 Performance: 67.171 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:35:10,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410000 82000 60.067 -32610 6583.5 -39193 -39193 0.00029525 -0.00026668 -0.00026668 7.1569e+05 2024-05-08 23:35:26,629 INFO [main.py:798]
{rank 0/64} MD step = 410100 step time: 00:00:00.152946 Performance: 67.170 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:35:35,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410100 82020 59.664 -32678 6539.2 -39217 -39217 -0.00020954 -0.0003143 -0.00060956 7.1586e+05 2024-05-08 23:35:52,775 INFO [main.py:798]
{rank 0/64} MD step = 410200 step time: 00:00:00.148830 Performance: 67.170 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:36:06,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410200 82040 59.624 -32563 6534.9 -39098 -39098 -0.00022858 -0.00052384 -0.00041907 7.1602e+05 2024-05-08 23:36:22,341 INFO [main.py:798]
{rank 0/64} MD step = 410300 step time: 00:00:00.141894 Performance: 67.168 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:36:30,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410300 82060 59.919 -32499 6567.2 -39066 -39066 -0.00045717 -0.00053336 -7.6195e-05 7.162e+05 2024-05-08 23:36:45,315 INFO [main.py:798]
{rank 0/64} MD step = 410400 step time: 00:00:00.141309 Performance: 67.169 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:36:51,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410400 82080 60.27 -32543 6605.7 -39149 -39149 -0.00026668 -0.00041907 -0.00044764 7.1638e+05 2024-05-08 23:37:07,467 INFO [main.py:798]
{rank 0/64} MD step = 410500 step time: 00:00:00.140463 Performance: 67.172 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:37:14,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410500 82100 59.613 -32621 6533.7 -39154 -39154 -0.0003905 -0.00032383 -0.00051431 7.1651e+05 2024-05-08 23:37:30,632 INFO [main.py:798]
{rank 0/64} MD step = 410600 step time: 00:00:00.137032 Performance: 67.173 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:37:37,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410600 82120 60.542 -32638 6635.4 -39273 -39273 -0.00019049 -0.00022858 -0.00049527 7.1667e+05 2024-05-08 23:37:53,262 INFO [main.py:798]
{rank 0/64} MD step = 410700 step time: 00:00:00.135424 Performance: 67.175 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 23:37:59,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410700 82140 60.093 -32676 6586.2 -39262 -39262 -0.00015239 -0.0004286 -0.00047146 7.1683e+05 2024-05-08 23:38:14,962 INFO [main.py:798]
{rank 0/64} MD step = 410800 step time: 00:00:00.155483 Performance: 67.178 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:38:20,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410800 82160 60.262 -32492 6604.8 -39096 -39096 -0.00055241 -0.00037145 -0.00046669 7.1703e+05 2024-05-08 23:38:36,229 INFO [main.py:798]
{rank 0/64} MD step = 410900 step time: 00:00:00.152350 Performance: 67.181 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:38:43,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410900 82180 59.767 -32636 6550.5 -39186 -39186 -0.00053336 -0.00036193 -0.00047622 7.1717e+05 2024-05-08 23:38:58,727 INFO [main.py:798]
{rank 0/64} MD step = 411000 step time: 00:00:00.146986 Performance: 67.183 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:39:05,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411000 82200 60.331 -32521 6612.4 -39133 -39133 -0.00038574 -0.00054289 -0.00040002 7.1735e+05 2024-05-08 23:39:21,176 INFO [main.py:798]
{rank 0/64} MD step = 411100 step time: 00:00:00.149685 Performance: 67.185 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:39:26,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411100 82220 60.372 -32576 6616.8 -39193 -39193 -0.00041907 -0.00017144 -0.00068575 7.1752e+05 2024-05-08 23:39:42,584 INFO [main.py:798]
{rank 0/64} MD step = 411200 step time: 00:00:00.157235 Performance: 67.187 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:39:50,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411200 82240 60.131 -32618 6590.5 -39208 -39208 -0.00028573 -0.00064766 -0.00020954 7.1767e+05 2024-05-08 23:40:05,932 INFO [main.py:798]
{rank 0/64} MD step = 411300 step time: 00:00:00.161167 Performance: 67.189 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:40:12,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411300 82260 59.477 -32602 6518.7 -39121 -39121 -0.00040002 -0.00032383 -0.00064766 7.1789e+05 2024-05-08 23:40:28,357 INFO [main.py:798]
{rank 0/64} MD step = 411400 step time: 00:00:00.153367 Performance: 67.191 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:40:35,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411400 82280 59.242 -32713 6493 -39206 -39206 -0.00040002 -0.00075242 -0.00067147 7.1809e+05 2024-05-08 23:40:52,673 INFO [main.py:798]
{rank 0/64} MD step = 411500 step time: 00:00:00.168865 Performance: 67.192 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-08 23:41:00,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411500 82300 59.895 -32563 6564.6 -39128 -39128 -0.0004286 -0.00015239 -0.00060956 7.1828e+05 2024-05-08 23:41:15,817 INFO [main.py:798]
{rank 0/64} MD step = 411600 step time: 00:00:00.169699 Performance: 67.194 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-08 23:41:22,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411600 82320 60.302 -32495 6609.2 -39104 -39104 -0.00044288 -0.00038097 0.00014287 7.1845e+05 2024-05-08 23:41:40,512 INFO [main.py:798]
{rank 0/64} MD step = 411700 step time: 00:00:00.170972 Performance: 67.194 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-08 23:41:47,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411700 82340 60.773 -32461 6660.8 -39122 -39122 0 -0.00027621 -0.00027621 7.1867e+05 2024-05-08 23:42:02,408 INFO [main.py:798]
{rank 0/64} MD step = 411800 step time: 00:00:00.163673 Performance: 67.197 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-08 23:42:07,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411800 82360 59.251 -32565 6494 -39059 -39059 0.00038097 -0.00028573 -0.00029525 7.1881e+05 2024-05-08 23:42:23,086 INFO [main.py:798]
{rank 0/64} MD step = 411900 step time: 00:00:00.165983 Performance: 67.200 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-08 23:42:30,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411900 82380 60.101 -32613 6587.1 -39200 -39200 -0.00040002 -0.00015239 -0.00065718 7.1895e+05 2024-05-08 23:42:45,854 INFO [main.py:798]
{rank 0/64} MD step = 412000 step time: 00:00:00.157587 Performance: 67.202 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-08 23:42:52,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412000 82400 60.444 -32532 6624.8 -39157 -39157 -0.00034288 -0.00057146 -0.00060956 7.191e+05 2024-05-08 23:43:07,885 INFO [main.py:798]
{rank 0/64} MD step = 412100 step time: 00:00:00.160112 Performance: 67.204 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-08 23:43:13,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412100 82420 61.029 -32451 6688.8 -39139 -39139 -0.00045717 -0.00024763 -0.00030478 7.1927e+05 2024-05-08 23:43:29,492 INFO [main.py:798]
{rank 0/64} MD step = 412200 step time: 00:00:00.164614 Performance: 67.207 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-08 23:43:35,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412200 82440 60.239 -32365 6602.3 -38968 -38968 -0.00041907 -0.00051431 -0.00044764 7.1948e+05 2024-05-08 23:43:50,377 INFO [main.py:798]
{rank 0/64} MD step = 412300 step time: 00:00:00.168842 Performance: 67.210 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-08 23:43:56,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412300 82460 60.128 -32667 6590.1 -39258 -39258 -0.00030478 -0.00030478 -0.00043812 7.1962e+05 2024-05-08 23:44:12,804 INFO [main.py:798]
{rank 0/64} MD step = 412400 step time: 00:00:00.183527 Performance: 67.212 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:44:21,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412400 82480 60.597 -32557 6641.5 -39199 -39199 -0.00032383 -0.00043812 -0.00051908 7.1981e+05 2024-05-08 23:44:37,774 INFO [main.py:798]
{rank 0/64} MD step = 412500 step time: 00:00:00.158846 Performance: 67.212 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:44:45,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412500 82500 60.344 -32573 6613.8 -39187 -39187 -0.00038097 -0.00058099 0.00014287 7.1999e+05 2024-05-08 23:45:02,699 INFO [main.py:798]
{rank 0/64} MD step = 412600 step time: 00:00:00.160787 Performance: 67.213 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:45:13,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412600 82520 60.018 -32566 6578.1 -39144 -39144 -0.00024763 -0.00026668 -0.0006667 7.2018e+05 2024-05-08 23:45:30,270 INFO [main.py:798]
{rank 0/64} MD step = 412700 step time: 00:00:00.152734 Performance: 67.212 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:45:37,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412700 82540 60.931 -32509 6678.1 -39187 -39187 -5.7146e-05 -0.00051431 -0.00036193 7.2033e+05 2024-05-08 23:45:54,268 INFO [main.py:798]
{rank 0/64} MD step = 412800 step time: 00:00:00.160995 Performance: 67.213 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:46:01,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412800 82560 60.313 -32666 6610.4 -39277 -39277 -0.00013334 -0.00060956 -0.00068575 7.205e+05 2024-05-08 23:46:19,793 INFO [main.py:798]
{rank 0/64} MD step = 412900 step time: 00:00:00.158879 Performance: 67.213 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:46:24,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412900 82580 60.323 -32608 6611.5 -39219 -39219 -0.00038097 -0.00054289 -0.00045717 7.2068e+05 2024-05-08 23:46:42,042 INFO [main.py:798]
{rank 0/64} MD step = 413000 step time: 00:00:00.149647 Performance: 67.215 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:46:49,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413000 82600 59.238 -32706 6492.5 -39199 -39199 -0.00030478 -0.00024763 -0.0002524 7.2085e+05 2024-05-08 23:47:05,894 INFO [main.py:798]
{rank 0/64} MD step = 413100 step time: 00:00:00.147082 Performance: 67.216 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:47:12,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413100 82620 59.777 -32384 6551.6 -38936 -38936 -0.00016191 -0.00055241 -0.00055717 7.2103e+05 2024-05-08 23:47:28,251 INFO [main.py:798]
{rank 0/64} MD step = 413200 step time: 00:00:00.152256 Performance: 67.218 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:47:37,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413200 82640 59.515 -32449 6522.9 -38972 -38972 3.8097e-05 -0.00043812 -0.00010477 7.2123e+05 2024-05-08 23:47:52,850 INFO [main.py:798]
{rank 0/64} MD step = 413300 step time: 00:00:00.151240 Performance: 67.219 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:48:01,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413300 82660 59.637 -32703 6536.3 -39240 -39240 -0.00041907 -0.00032383 -0.00051431 7.2137e+05 2024-05-08 23:48:17,290 INFO [main.py:798]
{rank 0/64} MD step = 413400 step time: 00:00:00.150042 Performance: 67.220 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:48:22,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413400 82680 60.671 -32513 6649.6 -39163 -39163 -0.00032621 0.00017144 -0.00029525 7.2156e+05 2024-05-08 23:48:40,649 INFO [main.py:798]
{rank 0/64} MD step = 413500 step time: 00:00:00.144549 Performance: 67.221 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:48:51,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413500 82700 59.063 -32709 6473.4 -39182 -39182 -0.00024763 -0.00049527 -0.00041907 7.2171e+05 2024-05-08 23:49:07,363 INFO [main.py:798]
{rank 0/64} MD step = 413600 step time: 00:00:00.150982 Performance: 67.221 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:49:17,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413600 82720 60.048 -32635 6581.3 -39216 -39216 -0.00050479 -0.00049527 -3.8097e-05 7.219e+05 2024-05-08 23:49:32,887 INFO [main.py:798]
{rank 0/64} MD step = 413700 step time: 00:00:00.159001 Performance: 67.221 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:49:40,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413700 82740 59.652 -32655 6538 -39193 -39193 -0.00020954 -0.00041907 -0.0006667 7.2205e+05 2024-05-08 23:49:55,850 INFO [main.py:798]
{rank 0/64} MD step = 413800 step time: 00:00:00.152967 Performance: 67.222 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:50:04,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413800 82760 59.587 -32523 6530.8 -39054 -39054 -0.00017144 -0.00043812 -0.00055241 7.2222e+05 2024-05-08 23:50:20,124 INFO [main.py:798]
{rank 0/64} MD step = 413900 step time: 00:00:00.168857 Performance: 67.223 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:50:26,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413900 82780 59.626 -32532 6535.1 -39067 -39067 -0.00026668 -0.00019049 -0.00051431 7.2242e+05 2024-05-08 23:50:40,475 INFO [main.py:798]
{rank 0/64} MD step = 414000 step time: 00:00:00.150740 Performance: 67.227 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:50:54,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414000 82800 60.412 -32486 6621.3 -39107 -39107 -0.00028573 -0.00054289 -0.00030478 7.2259e+05 2024-05-08 23:51:09,557 INFO [main.py:798]
{rank 0/64} MD step = 414100 step time: 00:00:00.157436 Performance: 67.225 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:51:14,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414100 82820 60.529 -32633 6634 -39267 -39267 -0.00030478 -0.00069528 -0.00044764 7.2273e+05 2024-05-08 23:51:32,197 INFO [main.py:798]
{rank 0/64} MD step = 414200 step time: 00:00:00.159163 Performance: 67.227 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-08 23:51:39,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414200 82840 59.859 -32499 6560.6 -39059 -39059 9.0481e-05 -0.00026668 -0.00062384 7.2296e+05 2024-05-08 23:51:54,724 INFO [main.py:798]
{rank 0/64} MD step = 414300 step time: 00:00:00.166950 Performance: 67.229 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:52:00,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414300 82860 59.797 -32617 6553.9 -39171 -39171 -9.5243e-05 -0.0007048 -0.00024763 7.2312e+05 2024-05-08 23:52:16,363 INFO [main.py:798]
{rank 0/64} MD step = 414400 step time: 00:00:00.165503 Performance: 67.231 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:52:24,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414400 82880 60.249 -32799 6603.4 -39402 -39402 -0.00040002 -0.00060956 -0.00060956 7.2328e+05 2024-05-08 23:52:39,835 INFO [main.py:798]
{rank 0/64} MD step = 414500 step time: 00:00:00.160643 Performance: 67.233 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:52:46,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414500 82900 60.425 -32555 6622.6 -39177 -39177 -0.00015239 -0.0003524 -0.00068575 7.2348e+05 2024-05-08 23:53:02,733 INFO [main.py:798]
{rank 0/64} MD step = 414600 step time: 00:00:00.160609 Performance: 67.234 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:53:08,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414600 82920 59.619 -32669 6534.3 -39203 -39203 -0.00016429 -0.00047622 -0.00036193 7.2365e+05 2024-05-08 23:53:24,974 INFO [main.py:798]
{rank 0/64} MD step = 414700 step time: 00:00:00.153711 Performance: 67.236 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:53:31,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414700 82940 59.84 -32684 6558.6 -39243 -39243 -0.00011429 -0.00043812 -0.00037145 7.2385e+05 2024-05-08 23:53:47,662 INFO [main.py:798]
{rank 0/64} MD step = 414800 step time: 00:00:00.159689 Performance: 67.238 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:53:54,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414800 82960 59.755 -32666 6549.2 -39215 -39215 -0.00040955 -0.00034288 -0.00047622 7.2405e+05 2024-05-08 23:54:09,862 INFO [main.py:798]
{rank 0/64} MD step = 414900 step time: 00:00:00.158156 Performance: 67.241 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:54:17,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414900 82980 59.746 -32708 6548.3 -39256 -39256 -0.00030478 -0.00036193 -0.00063099 7.242e+05 2024-05-08 23:54:32,787 INFO [main.py:798]
{rank 0/64} MD step = 415000 step time: 00:00:00.154203 Performance: 67.242 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:54:39,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415000 83000 60.165 -32510 6594.2 -39104 -39104 -0.00040955 -0.00049527 -0.00051431 7.2441e+05 2024-05-08 23:54:55,912 INFO [main.py:798]
{rank 0/64} MD step = 415100 step time: 00:00:00.156069 Performance: 67.244 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-08 23:55:03,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415100 83020 59.441 -32598 6514.8 -39113 -39113 -0.00041907 -0.00017144 -0.00040955 7.2456e+05 2024-05-08 23:55:19,524 INFO [main.py:798]
{rank 0/64} MD step = 415200 step time: 00:00:00.153821 Performance: 67.245 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:55:27,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415200 83040 59.606 -32578 6532.9 -39111 -39111 -0.00033335 -0.00024763 -0.00062861 7.2474e+05 2024-05-08 23:55:42,541 INFO [main.py:798]
{rank 0/64} MD step = 415300 step time: 00:00:00.147458 Performance: 67.247 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:55:48,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415300 83060 60.049 -32473 6581.4 -39055 -39055 -0.00026668 -0.00034288 -0.00011429 7.2491e+05 2024-05-08 23:56:08,685 INFO [main.py:798]
{rank 0/64} MD step = 415400 step time: 00:00:00.155487 Performance: 67.247 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:56:18,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415400 83080 59.217 -32696 6490.2 -39186 -39186 -0.00021906 -0.00034288 -9.0481e-05 7.2507e+05 2024-05-08 23:56:34,011 INFO [main.py:798]
{rank 0/64} MD step = 415500 step time: 00:00:00.152989 Performance: 67.247 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:56:40,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415500 83100 59.57 -32644 6528.9 -39173 -39173 -0.00047146 -0.00030954 -0.00058099 7.2526e+05 2024-05-08 23:56:56,558 INFO [main.py:798]
{rank 0/64} MD step = 415600 step time: 00:00:00.152163 Performance: 67.249 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:57:04,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415600 83120 59.897 -32682 6564.8 -39247 -39247 -0.00019049 -0.00022858 -0.00044764 7.2544e+05 2024-05-08 23:57:20,442 INFO [main.py:798]
{rank 0/64} MD step = 415700 step time: 00:00:00.161986 Performance: 67.250 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:57:27,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415700 83140 59.666 -32715 6539.4 -39254 -39254 -0.00024763 -0.00037145 -0.00026668 7.2566e+05 2024-05-08 23:57:43,608 INFO [main.py:798]
{rank 0/64} MD step = 415800 step time: 00:00:00.170104 Performance: 67.252 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:57:49,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415800 83160 59.552 -32515 6526.9 -39042 -39042 -0.00015239 -0.00024763 -0.00018096 7.2588e+05 2024-05-08 23:58:04,908 INFO [main.py:798]
{rank 0/64} MD step = 415900 step time: 00:00:00.157980 Performance: 67.254 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:58:10,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415900 83180 61.286 -32567 6717 -39284 -39284 -0.00041907 -0.00045717 -0.00051431 7.2603e+05 2024-05-08 23:58:26,783 INFO [main.py:798]
{rank 0/64} MD step = 416000 step time: 00:00:00.157711 Performance: 67.257 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:58:33,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416000 83200 60.336 -32543 6612.9 -39156 -39156 -0.00026668 -0.00032383 -0.00072385 7.2621e+05 2024-05-08 23:58:49,324 INFO [main.py:798]
{rank 0/64} MD step = 416100 step time: 00:00:00.158353 Performance: 67.259 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:58:56,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416100 83220 60.06 -32741 6582.7 -39324 -39324 -0.00032383 -0.00045717 -0.00051431 7.2636e+05 2024-05-08 23:59:12,266 INFO [main.py:798]
{rank 0/64} MD step = 416200 step time: 00:00:00.162574 Performance: 67.261 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-08 23:59:18,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416200 83240 60.469 -32468 6627.5 -39096 -39096 -0.00043812 -0.00038097 -0.00049527 7.2656e+05 2024-05-08 23:59:33,501 INFO [main.py:798]
{rank 0/64} MD step = 416300 step time: 00:00:00.161120 Performance: 67.263 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-08 23:59:39,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416300 83260 60.029 -32644 6579.2 -39223 -39223 -0.00036193 -0.00041907 -3.8097e-05 7.2673e+05 2024-05-08 23:59:54,858 INFO [main.py:798]
{rank 0/64} MD step = 416400 step time: 00:00:00.154495 Performance: 67.266 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:00:00,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416400 83280 59.403 -32706 6510.6 -39217 -39217 -0.0003524 -0.00047622 -0.00053336 7.269e+05 2024-05-09 00:00:16,445 INFO [main.py:798]
{rank 0/64} MD step = 416500 step time: 00:00:00.149044 Performance: 67.269 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:00:27,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416500 83300 61.279 -32523 6716.2 -39240 -39240 -0.00030478 -0.00043812 -0.00063813 7.2704e+05 2024-05-09 00:00:43,222 INFO [main.py:798]
{rank 0/64} MD step = 416600 step time: 00:00:00.161795 Performance: 67.268 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:00:50,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416600 83320 60.273 -32560 6606 -39166 -39166 -0.00049527 -0.00043812 -3.8097e-05 7.2717e+05 2024-05-09 00:01:05,833 INFO [main.py:798]
{rank 0/64} MD step = 416700 step time: 00:00:00.162746 Performance: 67.270 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:01:12,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416700 83340 60.205 -32537 6598.6 -39136 -39136 -0.00034288 -0.00027621 -0.00075242 7.2735e+05 2024-05-09 00:01:30,327 INFO [main.py:798]
{rank 0/64} MD step = 416800 step time: 00:00:00.163181 Performance: 67.271 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:01:39,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416800 83360 59.415 -32658 6512 -39170 -39170 -0.00038097 -0.00046669 -0.00056194 7.2752e+05 2024-05-09 00:01:54,375 INFO [main.py:798]
{rank 0/64} MD step = 416900 step time: 00:00:00.162355 Performance: 67.272 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:02:00,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416900 83380 60.009 -32826 6577.1 -39403 -39403 -0.00011429 -0.0003905 -0.00022858 7.2768e+05 2024-05-09 00:02:16,180 INFO [main.py:798]
{rank 0/64} MD step = 417000 step time: 00:00:00.158580 Performance: 67.274 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:02:22,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417000 83400 59.529 -32736 6524.5 -39261 -39261 -0.00038097 -0.00032383 -0.00064766 7.2788e+05 2024-05-09 00:02:38,395 INFO [main.py:798]
{rank 0/64} MD step = 417100 step time: 00:00:00.149349 Performance: 67.276 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:02:45,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417100 83420 60.012 -32634 6577.4 -39212 -39212 -0.00040002 -0.00068575 -0.00034288 7.2805e+05 2024-05-09 00:03:05,191 INFO [main.py:798]
{rank 0/64} MD step = 417200 step time: 00:00:00.156631 Performance: 67.276 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:03:14,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417200 83440 59.881 -32701 6563.1 -39264 -39264 -0.00012858 -0.00040002 -0.00041907 7.2821e+05 2024-05-09 00:03:30,751 INFO [main.py:798]
{rank 0/64} MD step = 417300 step time: 00:00:00.160373 Performance: 67.276 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:03:39,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417300 83460 59.582 -32553 6530.2 -39083 -39083 -0.00040002 -0.00051431 -0.00048098 7.2841e+05 2024-05-09 00:03:55,761 INFO [main.py:798]
{rank 0/64} MD step = 417400 step time: 00:00:00.166349 Performance: 67.276 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:04:01,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417400 83480 60.16 -32636 6593.6 -39230 -39230 -0.00017144 -0.0003524 -0.00080957 7.2857e+05 2024-05-09 00:04:16,217 INFO [main.py:798]
{rank 0/64} MD step = 417500 step time: 00:00:00.161145 Performance: 67.279 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 00:04:21,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417500 83500 61.052 -32521 6691.3 -39212 -39212 -0.00041907 -0.00047622 -0.00032383 7.2872e+05 2024-05-09 00:04:36,971 INFO [main.py:798]
{rank 0/64} MD step = 417600 step time: 00:00:00.159390 Performance: 67.282 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:04:47,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417600 83520 60.176 -32477 6595.4 -39073 -39073 0.00020954 -0.00020954 -0.00030478 7.2889e+05 2024-05-09 00:05:04,268 INFO [main.py:798]
{rank 0/64} MD step = 417700 step time: 00:00:00.145772 Performance: 67.281 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:05:10,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417700 83540 60.077 -32435 6584.5 -39020 -39020 -0.00013334 -0.00040955 -2.3811e-05 7.2905e+05 2024-05-09 00:05:27,283 INFO [main.py:798]
{rank 0/64} MD step = 417800 step time: 00:00:00.159154 Performance: 67.283 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:05:32,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417800 83560 59.358 -32603 6505.7 -39109 -39109 -0.00011429 -0.00058099 -0.00049527 7.2923e+05 2024-05-09 00:05:49,984 INFO [main.py:798]
{rank 0/64} MD step = 417900 step time: 00:00:00.148738 Performance: 67.285 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:05:55,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417900 83580 59.648 -32588 6537.5 -39125 -39125 -0.00038097 -0.00038097 -0.00053336 7.2941e+05 2024-05-09 00:06:12,693 INFO [main.py:798]
{rank 0/64} MD step = 418000 step time: 00:00:00.140257 Performance: 67.287 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:06:21,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418000 83600 59.791 -32573 6553.2 -39126 -39126 -0.00035716 -0.00027621 -0.00068575 7.2957e+05 2024-05-09 00:06:37,666 INFO [main.py:798]
{rank 0/64} MD step = 418100 step time: 00:00:00.140373 Performance: 67.287 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:06:44,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418100 83620 59.724 -32716 6545.8 -39262 -39262 -0.00028573 -0.00038097 2.3811e-05 7.2973e+05 2024-05-09 00:07:00,361 INFO [main.py:798]
{rank 0/64} MD step = 418200 step time: 00:00:00.155153 Performance: 67.289 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:07:06,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418200 83640 59.957 -32631 6571.3 -39203 -39203 -0.00033811 -0.00038097 0.00011429 7.299e+05 2024-05-09 00:07:22,696 INFO [main.py:798]
{rank 0/64} MD step = 418300 step time: 00:00:00.145009 Performance: 67.291 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:07:29,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418300 83660 59.491 -32541 6520.3 -39061 -39061 -0.00022858 -0.00038097 -0.00055241 7.3009e+05 2024-05-09 00:07:45,423 INFO [main.py:798]
{rank 0/64} MD step = 418400 step time: 00:00:00.151424 Performance: 67.293 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:08:14,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418400 83680 60.229 -32440 6601.2 -39041 -39041 -0.00026668 -0.00037621 -0.00034288 7.3028e+05 2024-05-09 00:08:31,921 INFO [main.py:798]
{rank 0/64} MD step = 418500 step time: 00:00:00.155709 Performance: 67.280 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:08:40,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418500 83700 59.897 -32596 6564.8 -39161 -39161 -0.00054289 -0.00055241 -0.00062861 7.3045e+05 2024-05-09 00:08:56,694 INFO [main.py:798]
{rank 0/64} MD step = 418600 step time: 00:00:00.159260 Performance: 67.281 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:09:02,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418600 83720 60.274 -32529 6606.1 -39135 -39135 -0.00018096 0.00015239 -0.00026668 7.3063e+05 2024-05-09 00:09:18,411 INFO [main.py:798]
{rank 0/64} MD step = 418700 step time: 00:00:00.153309 Performance: 67.283 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:09:24,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418700 83740 60.151 -32562 6592.6 -39154 -39154 -0.00045717 -0.00051431 -0.00034288 7.3078e+05 2024-05-09 00:09:40,537 INFO [main.py:798]
{rank 0/64} MD step = 418800 step time: 00:00:00.146327 Performance: 67.285 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:09:45,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418800 83760 60.058 -32671 6582.4 -39254 -39254 -0.00040002 -0.00030478 -0.00068575 7.3093e+05 2024-05-09 00:10:03,359 INFO [main.py:798]
{rank 0/64} MD step = 418900 step time: 00:00:00.154736 Performance: 67.287 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:10:09,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418900 83780 60.088 -32553 6585.7 -39139 -39139 -0.00019049 -0.00036193 0 7.3111e+05 2024-05-09 00:10:25,699 INFO [main.py:798]
{rank 0/64} MD step = 419000 step time: 00:00:00.164690 Performance: 67.289 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:10:31,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419000 83800 60.283 -32653 6607.1 -39260 -39260 0.00030478 -0.00041907 -0.0006667 7.3132e+05 2024-05-09 00:10:47,806 INFO [main.py:798]
{rank 0/64} MD step = 419100 step time: 00:00:00.158888 Performance: 67.291 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:10:57,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419100 83820 59.796 -32519 6553.7 -39072 -39072 -0.00049527 -0.00040955 -0.0006667 7.3149e+05 2024-05-09 00:11:13,525 INFO [main.py:798]
{rank 0/64} MD step = 419200 step time: 00:00:00.157949 Performance: 67.291 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:11:21,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419200 83840 60.503 -32602 6631.3 -39234 -39234 -0.00045717 -0.00041907 -0.00060956 7.3166e+05 2024-05-09 00:11:50,619 INFO [main.py:798]
{rank 0/64} MD step = 419300 step time: 00:00:00.163813 Performance: 67.284 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:11:57,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419300 83860 60.337 -32637 6613 -39250 -39250 -0.00034288 -0.00049527 -3.3335e-05 7.318e+05 2024-05-09 00:12:12,230 INFO [main.py:798]
{rank 0/64} MD step = 419400 step time: 00:00:00.156071 Performance: 67.287 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:12:19,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419400 83880 60.572 -32516 6638.8 -39155 -39155 -0.00043574 -0.00040002 -3.8097e-05 7.32e+05 2024-05-09 00:12:34,800 INFO [main.py:798]
{rank 0/64} MD step = 419500 step time: 00:00:00.160197 Performance: 67.289 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:12:42,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419500 83900 60.523 -32575 6633.4 -39209 -39209 0.00028573 -0.00026668 3.8097e-05 7.3216e+05 2024-05-09 00:12:57,694 INFO [main.py:798]
{rank 0/64} MD step = 419600 step time: 00:00:00.159038 Performance: 67.291 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:13:04,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419600 83920 59.873 -32624 6562.1 -39186 -39186 -0.00045717 -0.00060003 -0.00013334 7.3229e+05 2024-05-09 00:13:21,242 INFO [main.py:798]
{rank 0/64} MD step = 419700 step time: 00:00:00.167129 Performance: 67.292 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:13:27,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419700 83940 60.635 -32625 6645.6 -39271 -39271 -0.00044764 -0.00024763 -0.00011429 7.3248e+05 2024-05-09 00:13:42,829 INFO [main.py:798]
{rank 0/64} MD step = 419800 step time: 00:00:00.160938 Performance: 67.294 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 00:13:46,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419800 83960 60.412 -32595 6621.3 -39217 -39217 -0.00041907 -0.00063813 -0.00022858 7.3262e+05 2024-05-09 00:14:04,139 INFO [main.py:798]
{rank 0/64} MD step = 419900 step time: 00:00:00.177585 Performance: 67.297 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 00:14:10,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419900 83980 60.244 -32576 6602.8 -39179 -39179 9.5243e-06 0.00022858 -0.00061908 7.3282e+05 2024-05-09 00:14:26,744 INFO [main.py:798]
{rank 0/64} MD step = 420000 step time: 00:00:00.169063 Performance: 67.299 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 00:14:32,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420000 84000 59.324 -32677 6502 -39179 -39179 -0.00045717 -0.00026668 -0.00013334 7.33e+05 2024-05-09 00:14:47,679 INFO [main.py:798]
{rank 0/64} MD step = 420100 step time: 00:00:00.161770 Performance: 67.302 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 00:14:53,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420100 84020 60.363 -32675 6615.8 -39291 -39291 -0.00038097 -0.00060003 -0.00064766 7.3315e+05 2024-05-09 00:15:10,083 INFO [main.py:798]
{rank 0/64} MD step = 420200 step time: 00:00:00.172548 Performance: 67.304 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 00:15:16,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420200 84040 60.014 -32645 6577.6 -39223 -39223 -0.00040955 -0.00058575 -0.00020001 7.3337e+05 2024-05-09 00:15:32,394 INFO [main.py:798]
{rank 0/64} MD step = 420300 step time: 00:00:00.173407 Performance: 67.306 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 00:15:37,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420300 84060 60.095 -32590 6586.5 -39176 -39176 -0.00018096 -0.00040955 -0.00051431 7.3354e+05 2024-05-09 00:15:53,777 INFO [main.py:798]
{rank 0/64} MD step = 420400 step time: 00:00:00.172133 Performance: 67.309 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 00:15:59,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420400 84080 60.374 -32409 6617 -39026 -39026 -0.00028573 -0.00034288 -0.00063337 7.3372e+05 2024-05-09 00:16:15,014 INFO [main.py:798]
{rank 0/64} MD step = 420500 step time: 00:00:00.165466 Performance: 67.312 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 00:16:20,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420500 84100 59.616 -32500 6534 -39034 -39034 -0.00026668 -0.00040478 -0.00020954 7.3391e+05 2024-05-09 00:16:37,194 INFO [main.py:798]
{rank 0/64} MD step = 420600 step time: 00:00:00.167339 Performance: 67.314 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 00:16:42,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420600 84120 60.003 -32580 6576.4 -39156 -39156 -0.00026668 -0.00049527 -0.00072385 7.3408e+05 2024-05-09 00:16:58,556 INFO [main.py:798]
{rank 0/64} MD step = 420700 step time: 00:00:00.168562 Performance: 67.316 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 00:17:04,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420700 84140 59.492 -32775 6520.4 -39295 -39295 -0.00020001 -0.00040002 -0.00026668 7.3423e+05 2024-05-09 00:17:19,732 INFO [main.py:798]
{rank 0/64} MD step = 420800 step time: 00:00:00.168229 Performance: 67.319 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 00:17:23,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420800 84160 60.75 -32361 6658.2 -39020 -39020 0.00016191 -0.0004286 -0.00068575 7.3445e+05 2024-05-09 00:17:40,777 INFO [main.py:798]
{rank 0/64} MD step = 420900 step time: 00:00:00.170755 Performance: 67.322 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 00:17:46,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420900 84180 60.648 -32531 6647.1 -39178 -39178 -0.00028573 -0.00043812 -0.00062861 7.3459e+05 2024-05-09 00:18:01,326 INFO [main.py:798]
{rank 0/64} MD step = 421000 step time: 00:00:00.155322 Performance: 67.325 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 00:18:10,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421000 84200 59.783 -32674 6552.3 -39226 -39226 -0.00019049 -0.00030478 -0.00068575 7.3478e+05 2024-05-09 00:18:25,400 INFO [main.py:798]
{rank 0/64} MD step = 421100 step time: 00:00:00.141705 Performance: 67.326 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 00:18:31,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421100 84220 59.655 -32695 6538.2 -39233 -39233 0.00019049 -0.00039764 3.8097e-05 7.3497e+05 2024-05-09 00:18:47,242 INFO [main.py:798]
{rank 0/64} MD step = 421200 step time: 00:00:00.158639 Performance: 67.329 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 00:18:53,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421200 84240 59.714 -32567 6544.8 -39111 -39111 -0.00049527 -0.00027621 -0.00043812 7.3516e+05 2024-05-09 00:19:08,976 INFO [main.py:798]
{rank 0/64} MD step = 421300 step time: 00:00:00.156156 Performance: 67.331 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 00:19:13,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421300 84260 60.017 -32555 6577.9 -39133 -39133 -8.5719e-05 -0.00038097 -0.00064289 7.3534e+05 2024-05-09 00:19:30,362 INFO [main.py:798]
{rank 0/64} MD step = 421400 step time: 00:00:00.154637 Performance: 67.334 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:19:35,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421400 84280 59.656 -32660 6538.3 -39198 -39198 9.5243e-05 -0.00073337 -0.00057622 7.3548e+05 2024-05-09 00:19:51,505 INFO [main.py:798]
{rank 0/64} MD step = 421500 step time: 00:00:00.145946 Performance: 67.337 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:19:57,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421500 84300 59.019 -32849 6468.6 -39318 -39318 -0.00022858 -0.00051431 -0.00044764 7.3564e+05 2024-05-09 00:20:13,863 INFO [main.py:798]
{rank 0/64} MD step = 421600 step time: 00:00:00.146115 Performance: 67.339 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:20:20,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421600 84320 59.997 -32591 6575.8 -39166 -39166 -0.00057146 -0.00053336 -0.00054289 7.3581e+05 2024-05-09 00:20:36,435 INFO [main.py:798]
{rank 0/64} MD step = 421700 step time: 00:00:00.164414 Performance: 67.341 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:20:42,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421700 84340 59.835 -32495 6558 -39053 -39053 -0.00038097 -0.00047622 -0.00054289 7.3599e+05 2024-05-09 00:20:58,628 INFO [main.py:798]
{rank 0/64} MD step = 421800 step time: 00:00:00.158596 Performance: 67.343 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:21:07,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421800 84360 60.312 -32594 6610.3 -39204 -39204 -0.00024763 -0.00048574 -0.00053336 7.3614e+05 2024-05-09 00:21:28,600 INFO [main.py:798]
{rank 0/64} MD step = 421900 step time: 00:00:00.148628 Performance: 67.340 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:21:34,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421900 84380 60.431 -32535 6623.3 -39158 -39158 -0.00036193 -0.00047622 -0.00064766 7.3634e+05 2024-05-09 00:21:50,196 INFO [main.py:798]
{rank 0/64} MD step = 422000 step time: 00:00:00.152059 Performance: 67.343 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:21:57,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422000 84400 61.57 -32223 6748.2 -38971 -38971 -4.7622e-06 -0.00026668 -0.00053574 7.3656e+05 2024-05-09 00:22:13,728 INFO [main.py:798]
{rank 0/64} MD step = 422100 step time: 00:00:00.158084 Performance: 67.344 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:22:20,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422100 84420 61.127 -32482 6699.6 -39182 -39182 -3.8097e-05 -0.00052384 -0.00062861 7.3668e+05 2024-05-09 00:22:35,682 INFO [main.py:798]
{rank 0/64} MD step = 422200 step time: 00:00:00.171911 Performance: 67.346 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:22:42,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422200 84440 60.568 -32564 6638.3 -39202 -39202 -0.00023811 -0.00046669 -0.00026668 7.3686e+05 2024-05-09 00:22:57,845 INFO [main.py:798]
{rank 0/64} MD step = 422300 step time: 00:00:00.155532 Performance: 67.348 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 00:23:03,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422300 84460 60.446 -32506 6625 -39131 -39131 -0.00043812 -0.00049527 -0.00055241 7.3704e+05 2024-05-09 00:23:19,423 INFO [main.py:798]
{rank 0/64} MD step = 422400 step time: 00:00:00.164361 Performance: 67.351 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:23:25,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422400 84480 60.482 -32519 6628.9 -39147 -39147 0.00011429 -0.0003905 -0.00017144 7.372e+05 2024-05-09 00:23:41,509 INFO [main.py:798]
{rank 0/64} MD step = 422500 step time: 00:00:00.160333 Performance: 67.353 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:23:49,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422500 84500 59.433 -32676 6513.9 -39190 -39190 -0.00026668 -0.00046669 -0.00051431 7.3737e+05 2024-05-09 00:24:04,752 INFO [main.py:798]
{rank 0/64} MD step = 422600 step time: 00:00:00.154869 Performance: 67.355 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:24:09,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422600 84520 58.937 -32634 6459.5 -39094 -39094 -0.00013334 -0.00027144 -0.00062861 7.3758e+05 2024-05-09 00:24:28,258 INFO [main.py:798]
{rank 0/64} MD step = 422700 step time: 00:00:00.156154 Performance: 67.356 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:24:34,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422700 84540 59.556 -32684 6527.4 -39211 -39211 -5.7146e-05 -0.00041907 -0.00053336 7.3772e+05 2024-05-09 00:24:50,868 INFO [main.py:798]
{rank 0/64} MD step = 422800 step time: 00:00:00.162441 Performance: 67.358 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:24:56,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422800 84560 60.325 -32633 6611.6 -39244 -39244 -0.00028573 -0.00046669 -0.0006667 7.379e+05 2024-05-09 00:25:12,467 INFO [main.py:798]
{rank 0/64} MD step = 422900 step time: 00:00:00.158789 Performance: 67.360 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:25:19,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422900 84580 60.862 -32443 6670.5 -39113 -39113 -0.00047622 -0.00034288 -0.0006048 7.3808e+05 2024-05-09 00:25:35,118 INFO [main.py:798]
{rank 0/64} MD step = 423000 step time: 00:00:00.158015 Performance: 67.362 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:25:41,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423000 84600 60.238 -32558 6602.2 -39160 -39160 -0.00019049 -0.00046669 -0.00026668 7.3828e+05 2024-05-09 00:25:57,869 INFO [main.py:798]
{rank 0/64} MD step = 423100 step time: 00:00:00.164140 Performance: 67.364 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:26:03,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423100 84620 60.739 -32472 6657.1 -39129 -39129 -0.00021906 -0.00055241 -3.8097e-05 7.3842e+05 2024-05-09 00:26:22,252 INFO [main.py:798]
{rank 0/64} MD step = 423200 step time: 00:00:00.151189 Performance: 67.365 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 00:26:29,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423200 84640 60.434 -32546 6623.6 -39169 -39169 0.00011429 -0.00032383 -0.00057146 7.3861e+05 2024-05-09 00:26:45,511 INFO [main.py:798]
{rank 0/64} MD step = 423300 step time: 00:00:00.172060 Performance: 67.366 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 00:26:51,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423300 84660 60.005 -32554 6576.6 -39130 -39130 -0.00026668 -0.00051908 -0.00056194 7.3879e+05 2024-05-09 00:27:06,779 INFO [main.py:798]
{rank 0/64} MD step = 423400 step time: 00:00:00.148725 Performance: 67.369 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 00:27:13,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423400 84680 59.447 -32776 6515.5 -39292 -39292 0.00013334 -0.00047622 -0.00045717 7.3893e+05 2024-05-09 00:27:29,374 INFO [main.py:798]
{rank 0/64} MD step = 423500 step time: 00:00:00.147472 Performance: 67.371 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 00:27:35,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423500 84700 60.393 -32514 6619.2 -39133 -39133 -0.00024763 -0.00049527 -0.00049527 7.3915e+05 2024-05-09 00:27:51,805 INFO [main.py:798]
{rank 0/64} MD step = 423600 step time: 00:00:00.157327 Performance: 67.373 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 00:27:57,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423600 84720 60.044 -32722 6580.8 -39303 -39303 8.5719e-05 -0.00044764 -0.00055241 7.3929e+05 2024-05-09 00:28:13,839 INFO [main.py:798]
{rank 0/64} MD step = 423700 step time: 00:00:00.153703 Performance: 67.375 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 00:28:19,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423700 84740 60.091 -32678 6586 -39264 -39264 0.00030478 -0.00038097 -0.00019049 7.3949e+05 2024-05-09 00:28:35,196 INFO [main.py:798]
{rank 0/64} MD step = 423800 step time: 00:00:00.149658 Performance: 67.378 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 00:28:40,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423800 84760 59.184 -32656 6486.7 -39143 -39143 -0.00026668 -0.00045717 -0.00068575 7.3968e+05 2024-05-09 00:28:57,227 INFO [main.py:798]
{rank 0/64} MD step = 423900 step time: 00:00:00.153681 Performance: 67.380 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 00:29:03,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423900 84780 60.607 -32482 6642.6 -39125 -39125 -0.00027621 -0.00036193 -0.00062861 7.3986e+05 2024-05-09 00:29:19,656 INFO [main.py:798]
{rank 0/64} MD step = 424000 step time: 00:00:00.155322 Performance: 67.382 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 00:29:25,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424000 84800 59.199 -32608 6488.3 -39096 -39096 -0.00038097 -0.00030478 -0.00034288 7.4004e+05 2024-05-09 00:29:41,995 INFO [main.py:798]
{rank 0/64} MD step = 424100 step time: 00:00:00.150223 Performance: 67.384 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:29:48,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424100 84820 59.962 -32602 6571.9 -39174 -39174 -0.00026668 -0.00034288 -0.00022858 7.4022e+05 2024-05-09 00:30:04,411 INFO [main.py:798]
{rank 0/64} MD step = 424200 step time: 00:00:00.151429 Performance: 67.386 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:30:09,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424200 84840 60.469 -32641 6627.5 -39268 -39268 -0.00016668 -0.00030478 -1.9049e-05 7.4034e+05 2024-05-09 00:30:28,053 INFO [main.py:798]
{rank 0/64} MD step = 424300 step time: 00:00:00.168834 Performance: 67.387 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:30:33,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424300 84860 59.83 -32498 6557.4 -39056 -39056 0.00010477 -0.00041907 -0.00036193 7.4055e+05 2024-05-09 00:30:49,683 INFO [main.py:798]
{rank 0/64} MD step = 424400 step time: 00:00:00.160612 Performance: 67.390 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:30:56,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424400 84880 60.35 -32583 6614.4 -39198 -39198 -0.00022858 -0.00038097 -0.00055241 7.407e+05 2024-05-09 00:31:11,289 INFO [main.py:798]
{rank 0/64} MD step = 424500 step time: 00:00:00.158242 Performance: 67.392 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:31:18,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424500 84900 60.368 -32474 6616.4 -39090 -39090 -0.00051431 -0.00037145 -0.00022858 7.4087e+05 2024-05-09 00:31:37,466 INFO [main.py:798]
{rank 0/64} MD step = 424600 step time: 00:00:00.158290 Performance: 67.392 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:31:44,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424600 84920 59.543 -32608 6526 -39134 -39134 0.00011429 -0.00043812 -0.00022858 7.4107e+05 2024-05-09 00:32:02,357 INFO [main.py:798]
{rank 0/64} MD step = 424700 step time: 00:00:00.150229 Performance: 67.392 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:32:08,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424700 84940 59.515 -32607 6522.9 -39130 -39130 -0.00026668 -0.00038097 -3.8097e-05 7.4124e+05 2024-05-09 00:32:24,918 INFO [main.py:798]
{rank 0/64} MD step = 424800 step time: 00:00:00.150134 Performance: 67.394 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:32:31,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424800 84960 59.544 -32582 6526.1 -39108 -39108 -0.00049527 -0.00038097 -0.0007429 7.414e+05 2024-05-09 00:32:47,126 INFO [main.py:798]
{rank 0/64} MD step = 424900 step time: 00:00:00.146070 Performance: 67.397 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:32:54,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424900 84980 60.116 -32566 6588.8 -39154 -39154 -0.00023811 -0.00040002 -0.00051431 7.4158e+05 2024-05-09 00:33:10,437 INFO [main.py:798]
{rank 0/64} MD step = 425000 step time: 00:00:00.148048 Performance: 67.398 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:33:16,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425000 85000 60.128 -32430 6590.1 -39020 -39020 -0.00045717 -0.00045717 -0.00032383 7.4179e+05 2024-05-09 00:33:32,939 INFO [main.py:798]
{rank 0/64} MD step = 425100 step time: 00:00:00.149244 Performance: 67.400 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 00:33:40,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425100 85020 59.703 -32661 6543.5 -39205 -39205 -0.00015715 -0.00046669 -0.00060956 7.4195e+05 2024-05-09 00:33:57,060 INFO [main.py:798]
{rank 0/64} MD step = 425200 step time: 00:00:00.154790 Performance: 67.401 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:34:05,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425200 85040 61.295 -32493 6718 -39211 -39211 -0.00037145 -0.00059051 -7.6195e-05 7.4212e+05 2024-05-09 00:34:20,982 INFO [main.py:798]
{rank 0/64} MD step = 425300 step time: 00:00:00.152895 Performance: 67.402 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:34:32,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425300 85060 60.597 -32518 6641.5 -39160 -39160 -0.00051431 -0.00023811 -7.6195e-05 7.4233e+05 2024-05-09 00:34:48,322 INFO [main.py:798]
{rank 0/64} MD step = 425400 step time: 00:00:00.137924 Performance: 67.401 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:34:57,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425400 85080 60.232 -32478 6601.5 -39079 -39079 6.667e-05 -0.00043812 -0.00015239 7.4252e+05 2024-05-09 00:35:13,470 INFO [main.py:798]
{rank 0/64} MD step = 425500 step time: 00:00:00.149262 Performance: 67.401 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:35:22,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425500 85100 60.733 -32512 6656.5 -39168 -39168 -0.00028573 4.7622e-06 -4.7622e-05 7.4268e+05 2024-05-09 00:35:37,932 INFO [main.py:798]
{rank 0/64} MD step = 425600 step time: 00:00:00.168809 Performance: 67.402 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:35:44,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425600 85120 60.583 -32629 6639.9 -39269 -39269 0.00011429 -0.00034288 0.00017144 7.4284e+05 2024-05-09 00:36:00,523 INFO [main.py:798]
{rank 0/64} MD step = 425700 step time: 00:00:00.160298 Performance: 67.404 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:36:05,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425700 85140 60.234 -32593 6601.8 -39195 -39195 -0.00020954 -0.00011429 -0.00014287 7.4301e+05 2024-05-09 00:36:21,853 INFO [main.py:798]
{rank 0/64} MD step = 425800 step time: 00:00:00.161637 Performance: 67.406 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:36:28,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425800 85160 60.365 -32519 6616.1 -39135 -39135 -0.00032383 -0.00041907 -0.00053336 7.4321e+05 2024-05-09 00:36:44,947 INFO [main.py:798]
{rank 0/64} MD step = 425900 step time: 00:00:00.168267 Performance: 67.408 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:36:51,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425900 85180 60.975 -32467 6682.9 -39150 -39150 -0.00023335 -0.00041907 -0.00048098 7.4337e+05 2024-05-09 00:37:07,208 INFO [main.py:798]
{rank 0/64} MD step = 426000 step time: 00:00:00.157211 Performance: 67.410 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:37:11,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426000 85200 60.073 -32462 6584.1 -39046 -39046 -5.7146e-05 -0.00062861 -0.00072385 7.4357e+05 2024-05-09 00:37:28,823 INFO [main.py:798]
{rank 0/64} MD step = 426100 step time: 00:00:00.168232 Performance: 67.413 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:37:34,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426100 85220 60.401 -32543 6620.1 -39163 -39163 -0.00033335 -0.00024763 -0.00011429 7.4372e+05 2024-05-09 00:37:50,393 INFO [main.py:798]
{rank 0/64} MD step = 426200 step time: 00:00:00.168097 Performance: 67.415 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:37:57,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426200 85240 59.882 -32732 6563.1 -39295 -39295 -0.00013334 -0.00037145 -0.0007429 7.4387e+05 2024-05-09 00:38:13,291 INFO [main.py:798]
{rank 0/64} MD step = 426300 step time: 00:00:00.169691 Performance: 67.417 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 00:38:19,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426300 85260 60.833 -32455 6667.4 -39123 -39123 -0.00022858 -0.00024763 9.5243e-06 7.4408e+05 2024-05-09 00:38:35,091 INFO [main.py:798]
{rank 0/64} MD step = 426400 step time: 00:00:00.156249 Performance: 67.419 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:38:42,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426400 85280 60.068 -32524 6583.5 -39108 -39108 -7.6195e-05 -0.00057146 -0.00047622 7.4425e+05 2024-05-09 00:38:58,659 INFO [main.py:798]
{rank 0/64} MD step = 426500 step time: 00:00:00.158614 Performance: 67.420 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:39:05,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426500 85300 60.332 -32516 6612.5 -39128 -39128 -0.00028573 -0.00057146 -0.00053336 7.4445e+05 2024-05-09 00:39:20,635 INFO [main.py:798]
{rank 0/64} MD step = 426600 step time: 00:00:00.161437 Performance: 67.423 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:39:27,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426600 85320 60.496 -32423 6630.5 -39054 -39054 -0.00046193 -0.00030478 -0.00065718 7.4464e+05 2024-05-09 00:39:42,999 INFO [main.py:798]
{rank 0/64} MD step = 426700 step time: 00:00:00.157282 Performance: 67.425 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:39:49,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426700 85340 60.892 -32512 6673.8 -39186 -39186 -0.00041907 -0.00038097 -0.00076195 7.448e+05 2024-05-09 00:40:05,076 INFO [main.py:798]
{rank 0/64} MD step = 426800 step time: 00:00:00.153699 Performance: 67.427 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:40:13,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426800 85360 60.75 -32580 6658.3 -39239 -39239 -0.00027621 -0.00076195 -0.00064766 7.4497e+05 2024-05-09 00:40:29,115 INFO [main.py:798]
{rank 0/64} MD step = 426900 step time: 00:00:00.155851 Performance: 67.428 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:40:38,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426900 85380 60.625 -32663 6644.6 -39308 -39308 -0.00017144 -0.00055241 -0.00015239 7.4513e+05 2024-05-09 00:40:54,976 INFO [main.py:798]
{rank 0/64} MD step = 427000 step time: 00:00:00.167625 Performance: 67.428 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:41:01,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427000 85400 59.247 -32667 6493.5 -39160 -39160 -0.00030478 -0.00030478 -0.00046669 7.4533e+05 2024-05-09 00:41:16,913 INFO [main.py:798]
{rank 0/64} MD step = 427100 step time: 00:00:00.165390 Performance: 67.430 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:41:23,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427100 85420 58.728 -32824 6436.7 -39260 -39260 -3.8097e-05 -0.00041907 -0.00047622 7.455e+05 2024-05-09 00:41:38,856 INFO [main.py:798]
{rank 0/64} MD step = 427200 step time: 00:00:00.149854 Performance: 67.432 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:41:45,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427200 85440 60.132 -32343 6590.5 -38933 -38933 0.00022858 -0.00049527 -0.00026668 7.457e+05 2024-05-09 00:42:00,921 INFO [main.py:798]
{rank 0/64} MD step = 427300 step time: 00:00:00.138695 Performance: 67.434 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:42:16,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427300 85460 60.253 -32563 6603.8 -39167 -39167 -9.5243e-05 -1.9049e-05 -0.00019049 7.4584e+05 2024-05-09 00:42:32,073 INFO [main.py:798]
{rank 0/64} MD step = 427400 step time: 00:00:00.144619 Performance: 67.431 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:42:41,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427400 85480 59.235 -32802 6492.2 -39294 -39294 0.00022858 -0.00028573 -3.8097e-05 7.4601e+05 2024-05-09 00:42:57,895 INFO [main.py:798]
{rank 0/64} MD step = 427500 step time: 00:00:00.151778 Performance: 67.431 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:43:06,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427500 85500 60.603 -32602 6642.2 -39244 -39244 -0.00040002 -0.00038097 -0.0007048 7.4617e+05 2024-05-09 00:43:22,474 INFO [main.py:798]
{rank 0/64} MD step = 427600 step time: 00:00:00.145527 Performance: 67.432 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:43:32,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427600 85520 59.967 -32641 6572.4 -39213 -39213 -9.5243e-05 -0.00045717 -0.00068575 7.4634e+05 2024-05-09 00:43:47,980 INFO [main.py:798]
{rank 0/64} MD step = 427700 step time: 00:00:00.158251 Performance: 67.432 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:43:53,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427700 85540 59.298 -32690 6499.1 -39189 -39189 -0.00040002 -0.00048574 -0.00063813 7.4654e+05 2024-05-09 00:44:08,842 INFO [main.py:798]
{rank 0/64} MD step = 427800 step time: 00:00:00.169209 Performance: 67.435 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 00:44:12,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427800 85560 59.705 -32588 6543.7 -39132 -39132 -0.00055241 -0.00028573 -3.8097e-05 7.4671e+05 2024-05-09 00:44:30,637 INFO [main.py:798]
{rank 0/64} MD step = 427900 step time: 00:00:00.156536 Performance: 67.437 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 00:44:36,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427900 85580 59.792 -32575 6553.3 -39128 -39128 0.00011429 -0.00043812 0.00015239 7.4691e+05 2024-05-09 00:44:52,358 INFO [main.py:798]
{rank 0/64} MD step = 428000 step time: 00:00:00.158988 Performance: 67.439 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 00:44:58,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428000 85600 60.292 -32543 6608 -39151 -39151 -0.00047146 -0.00043812 -0.00049527 7.4709e+05 2024-05-09 00:45:14,459 INFO [main.py:798]
{rank 0/64} MD step = 428100 step time: 00:00:00.149226 Performance: 67.441 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 00:45:19,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428100 85620 59.327 -32571 6502.4 -39073 -39073 -5.7146e-05 -0.00028573 -0.00036193 7.4725e+05 2024-05-09 00:45:35,849 INFO [main.py:798]
{rank 0/64} MD step = 428200 step time: 00:00:00.158610 Performance: 67.444 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 00:45:44,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428200 85640 60.376 -32558 6617.3 -39175 -39175 -0.00034288 -0.00038574 -0.00057146 7.4745e+05 2024-05-09 00:45:59,757 INFO [main.py:798]
{rank 0/64} MD step = 428300 step time: 00:00:00.164956 Performance: 67.445 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 00:46:06,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428300 85660 59.69 -32601 6542.1 -39144 -39144 0.00015239 -0.00047622 1.9049e-05 7.4763e+05 2024-05-09 00:46:22,446 INFO [main.py:798]
{rank 0/64} MD step = 428400 step time: 00:00:00.160161 Performance: 67.447 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 00:46:27,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428400 85680 59.919 -32653 6567.2 -39220 -39220 -0.00049527 -0.00045955 -5.7146e-05 7.4782e+05 2024-05-09 00:46:43,774 INFO [main.py:798]
{rank 0/64} MD step = 428500 step time: 00:00:00.153295 Performance: 67.450 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 00:46:49,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428500 85700 59.636 -32608 6536.2 -39144 -39144 -0.00024287 -0.0003143 -0.00040002 7.4799e+05 2024-05-09 00:47:05,091 INFO [main.py:798]
{rank 0/64} MD step = 428600 step time: 00:00:00.158202 Performance: 67.452 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 00:47:10,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428600 85720 58.838 -32611 6448.7 -39059 -39059 -0.00040002 -0.00038097 -0.00053813 7.4816e+05 2024-05-09 00:47:26,633 INFO [main.py:798]
{rank 0/64} MD step = 428700 step time: 00:00:00.157068 Performance: 67.455 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:47:33,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428700 85740 59.92 -32543 6567.3 -39110 -39110 -7.6195e-05 -0.00044764 -0.00045717 7.483e+05 2024-05-09 00:47:48,507 INFO [main.py:798]
{rank 0/64} MD step = 428800 step time: 00:00:00.159228 Performance: 67.457 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:47:55,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428800 85760 60.48 -32434 6628.7 -39063 -39063 -0.00036193 -0.00040002 -0.00034288 7.4848e+05 2024-05-09 00:48:11,702 INFO [main.py:798]
{rank 0/64} MD step = 428900 step time: 00:00:00.162061 Performance: 67.458 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:48:17,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428900 85780 60.403 -32420 6620.2 -39040 -39040 -0.00038097 -0.00057146 -0.00069528 7.4866e+05 2024-05-09 00:48:32,969 INFO [main.py:798]
{rank 0/64} MD step = 429000 step time: 00:00:00.161855 Performance: 67.461 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:48:38,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429000 85800 60.14 -32538 6591.4 -39130 -39130 -0.00032383 -0.0004286 -0.00026668 7.488e+05 2024-05-09 00:48:54,408 INFO [main.py:798]
{rank 0/64} MD step = 429100 step time: 00:00:00.152794 Performance: 67.464 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:49:01,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429100 85820 60.426 -32518 6622.8 -39141 -39141 -0.00028573 -0.00040002 -0.0004286 7.4899e+05 2024-05-09 00:49:17,140 INFO [main.py:798]
{rank 0/64} MD step = 429200 step time: 00:00:00.151308 Performance: 67.465 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:49:24,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429200 85840 60.328 -32584 6612 -39196 -39196 -0.00020954 -0.00034288 -0.00030478 7.4913e+05 2024-05-09 00:49:40,189 INFO [main.py:798]
{rank 0/64} MD step = 429300 step time: 00:00:00.155580 Performance: 67.467 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:49:47,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429300 85860 60.234 -32516 6601.7 -39118 -39118 -0.00064766 -0.00040002 -0.00048574 7.493e+05 2024-05-09 00:50:03,153 INFO [main.py:798]
{rank 0/64} MD step = 429400 step time: 00:00:00.154190 Performance: 67.469 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:50:16,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429400 85880 59.809 -32616 6555.1 -39171 -39171 -0.00028573 -0.00020954 -0.00034288 7.4949e+05 2024-05-09 00:50:31,864 INFO [main.py:798]
{rank 0/64} MD step = 429500 step time: 00:00:00.162577 Performance: 67.467 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:50:38,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429500 85900 60.082 -32555 6585.1 -39140 -39140 -0.00034764 -0.00060956 9.5243e-05 7.4967e+05 2024-05-09 00:50:54,660 INFO [main.py:798]
{rank 0/64} MD step = 429600 step time: 00:00:00.165934 Performance: 67.468 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 00:51:00,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429600 85920 60.724 -32439 6655.4 -39095 -39095 -0.00038097 -0.00013334 -0.00041907 7.4986e+05 2024-05-09 00:51:16,272 INFO [main.py:798]
{rank 0/64} MD step = 429700 step time: 00:00:00.158009 Performance: 67.471 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:51:22,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429700 85940 60.102 -32533 6587.3 -39121 -39121 -0.00021906 -0.00034288 -0.00043812 7.5003e+05 2024-05-09 00:51:38,016 INFO [main.py:798]
{rank 0/64} MD step = 429800 step time: 00:00:00.158045 Performance: 67.473 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:51:44,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429800 85960 61.007 -32418 6686.4 -39104 -39104 -0.00023811 -0.00030954 -0.00030478 7.5022e+05 2024-05-09 00:52:02,601 INFO [main.py:798]
{rank 0/64} MD step = 429900 step time: 00:00:00.148569 Performance: 67.474 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:52:08,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429900 85980 59.623 -32602 6534.8 -39137 -39137 -0.00026668 -0.00051431 -0.00076195 7.5042e+05 2024-05-09 00:52:23,705 INFO [main.py:798]
{rank 0/64} MD step = 430000 step time: 00:00:00.170606 Performance: 67.477 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:52:30,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430000 86000 60.424 -32609 6622.5 -39232 -39232 -0.00051908 -0.00057146 -3.8097e-05 7.5057e+05 2024-05-09 00:52:46,328 INFO [main.py:798]
{rank 0/64} MD step = 430100 step time: 00:00:00.157892 Performance: 67.479 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:52:54,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430100 86020 60.349 -32510 6614.3 -39124 -39124 -0.00015239 -0.00012382 -0.00051431 7.5073e+05 2024-05-09 00:53:10,638 INFO [main.py:798]
{rank 0/64} MD step = 430200 step time: 00:00:00.143129 Performance: 67.479 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:53:16,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430200 86040 59.636 -32676 6536.2 -39212 -39212 -0.00026668 -0.0003524 -0.00057146 7.5091e+05 2024-05-09 00:53:33,176 INFO [main.py:798]
{rank 0/64} MD step = 430300 step time: 00:00:00.151737 Performance: 67.481 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:53:38,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430300 86060 59.875 -32475 6562.4 -39037 -39037 -7.6195e-05 -0.00030002 -0.00060956 7.511e+05 2024-05-09 00:53:54,988 INFO [main.py:798]
{rank 0/64} MD step = 430400 step time: 00:00:00.161700 Performance: 67.484 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:54:00,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430400 86080 59.848 -32582 6559.5 -39141 -39141 -0.00024763 -0.0007048 -0.0007429 7.5125e+05 2024-05-09 00:54:16,810 INFO [main.py:798]
{rank 0/64} MD step = 430500 step time: 00:00:00.151332 Performance: 67.486 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 00:54:24,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430500 86100 60.135 -32670 6590.9 -39261 -39261 -0.00020954 -0.00044764 -0.00041431 7.5142e+05 2024-05-09 00:54:40,403 INFO [main.py:798]
{rank 0/64} MD step = 430600 step time: 00:00:00.155192 Performance: 67.487 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:54:46,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430600 86120 60.218 -32564 6599.9 -39164 -39164 -0.00024763 -0.00065718 1.9049e-05 7.5161e+05 2024-05-09 00:55:02,646 INFO [main.py:798]
{rank 0/64} MD step = 430700 step time: 00:00:00.150071 Performance: 67.489 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:55:08,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430700 86140 60.758 -32589 6659.2 -39248 -39248 -0.00020954 -0.00030478 -0.00041907 7.5177e+05 2024-05-09 00:55:24,475 INFO [main.py:798]
{rank 0/64} MD step = 430800 step time: 00:00:00.156980 Performance: 67.491 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:55:30,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430800 86160 58.845 -32753 6449.5 -39203 -39203 -0.00049527 -0.00037145 -0.00045717 7.5193e+05 2024-05-09 00:55:47,070 INFO [main.py:798]
{rank 0/64} MD step = 430900 step time: 00:00:00.162353 Performance: 67.493 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:55:52,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430900 86180 59.889 -32533 6563.9 -39097 -39097 -0.00030478 -0.00058099 -0.00026668 7.5213e+05 2024-05-09 00:56:09,012 INFO [main.py:798]
{rank 0/64} MD step = 431000 step time: 00:00:00.157634 Performance: 67.496 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:56:14,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431000 86200 60.081 -32565 6584.9 -39150 -39150 -0.00037145 -0.00049527 -0.00026192 7.5227e+05 2024-05-09 00:56:31,229 INFO [main.py:798]
{rank 0/64} MD step = 431100 step time: 00:00:00.156485 Performance: 67.498 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:56:38,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431100 86220 59.738 -32700 6547.4 -39248 -39248 -0.00020954 -0.00031907 1.9049e-05 7.5245e+05 2024-05-09 00:56:54,188 INFO [main.py:798]
{rank 0/64} MD step = 431200 step time: 00:00:00.154342 Performance: 67.499 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:56:59,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431200 86240 60.831 -32486 6667.2 -39153 -39153 -0.00040955 -0.00083814 -0.00068575 7.5263e+05 2024-05-09 00:57:15,801 INFO [main.py:798]
{rank 0/64} MD step = 431300 step time: 00:00:00.159285 Performance: 67.502 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:57:22,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431300 86260 60.442 -32420 6624.6 -39044 -39044 -0.00017144 -0.00064766 -0.00053336 7.5279e+05 2024-05-09 00:57:39,216 INFO [main.py:798]
{rank 0/64} MD step = 431400 step time: 00:00:00.155559 Performance: 67.503 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 00:57:44,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431400 86280 59.876 -32442 6562.5 -39005 -39005 -0.00045717 -0.0003905 -0.00022858 7.5301e+05 2024-05-09 00:58:00,753 INFO [main.py:798]
{rank 0/64} MD step = 431500 step time: 00:00:00.149238 Performance: 67.505 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-09 00:58:06,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431500 86300 60.375 -32603 6617.2 -39220 -39220 -0.00043812 -0.00050479 -0.00038097 7.5315e+05 2024-05-09 00:58:22,359 INFO [main.py:798]
{rank 0/64} MD step = 431600 step time: 00:00:00.149447 Performance: 67.508 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-09 00:58:27,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431600 86320 59.958 -32501 6571.4 -39072 -39072 -0.00016191 -0.00057146 -0.00072385 7.5338e+05 2024-05-09 00:58:43,814 INFO [main.py:798]
{rank 0/64} MD step = 431700 step time: 00:00:00.151486 Performance: 67.510 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-09 00:58:51,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431700 86340 59.546 -32634 6526.3 -39160 -39160 0.00017144 -0.00040002 -0.00028573 7.5356e+05 2024-05-09 00:59:07,324 INFO [main.py:798]
{rank 0/64} MD step = 431800 step time: 00:00:00.142367 Performance: 67.512 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 00:59:13,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431800 86360 60.477 -32439 6628.3 -39067 -39067 -0.00021906 -0.00041907 -0.00045717 7.5374e+05 2024-05-09 00:59:29,745 INFO [main.py:798]
{rank 0/64} MD step = 431900 step time: 00:00:00.148561 Performance: 67.514 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 00:59:34,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431900 86380 60.239 -32574 6602.3 -39177 -39177 -3.8097e-05 -0.0004405 -0.00062861 7.5389e+05 2024-05-09 00:59:50,776 INFO [main.py:798]
{rank 0/64} MD step = 432000 step time: 00:00:00.145036 Performance: 67.516 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 00:59:56,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432000 86400 61.095 -32414 6696.1 -39110 -39110 -0.00022858 -0.00053813 -8.0957e-05 7.5406e+05 2024-05-09 01:00:12,042 INFO [main.py:798]
{rank 0/64} MD step = 432100 step time: 00:00:00.142701 Performance: 67.519 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 01:00:18,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432100 86420 59.298 -32712 6499.1 -39211 -39211 -0.00024763 -0.00013334 -0.00034288 7.542e+05 2024-05-09 01:00:34,589 INFO [main.py:798]
{rank 0/64} MD step = 432200 step time: 00:00:00.158946 Performance: 67.521 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 01:00:40,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432200 86440 60.773 -32581 6660.8 -39242 -39242 -0.00011429 -0.00036669 -0.00064766 7.5437e+05 2024-05-09 01:00:56,779 INFO [main.py:798]
{rank 0/64} MD step = 432300 step time: 00:00:00.156162 Performance: 67.523 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:01:02,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432300 86460 60.958 -32556 6681.1 -39237 -39237 -0.00036193 -0.00037383 -0.00020954 7.5454e+05 2024-05-09 01:01:17,326 INFO [main.py:798]
{rank 0/64} MD step = 432400 step time: 00:00:00.143902 Performance: 67.526 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:01:23,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432400 86480 59.865 -32628 6561.3 -39190 -39190 -0.00027621 -0.00033573 -0.00062861 7.5472e+05 2024-05-09 01:01:39,813 INFO [main.py:798]
{rank 0/64} MD step = 432500 step time: 00:00:00.148886 Performance: 67.528 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:01:46,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432500 86500 60.148 -32512 6592.2 -39104 -39104 -0.0003143 -0.00027621 -0.00012382 7.5493e+05 2024-05-09 01:02:04,188 INFO [main.py:798]
{rank 0/64} MD step = 432600 step time: 00:00:00.153065 Performance: 67.529 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:02:15,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432600 86520 60.378 -32601 6617.5 -39219 -39219 -0.00022382 -0.00041907 -0.00020954 7.5507e+05 2024-05-09 01:02:33,054 INFO [main.py:798]
{rank 0/64} MD step = 432700 step time: 00:00:00.154014 Performance: 67.527 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:02:39,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432700 86540 59.995 -32625 6575.5 -39201 -39201 -0.00028573 -0.00043812 -0.00052384 7.5525e+05 2024-05-09 01:02:55,629 INFO [main.py:798]
{rank 0/64} MD step = 432800 step time: 00:00:00.179034 Performance: 67.529 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:03:01,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432800 86560 59.914 -32645 6566.7 -39212 -39212 -0.00041907 -0.0003143 -0.00061908 7.5539e+05 2024-05-09 01:03:17,597 INFO [main.py:798]
{rank 0/64} MD step = 432900 step time: 00:00:00.154096 Performance: 67.531 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:03:23,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432900 86580 59.487 -32560 6519.8 -39080 -39080 -0.00032383 -0.00047622 -0.00015239 7.5561e+05 2024-05-09 01:03:39,275 INFO [main.py:798]
{rank 0/64} MD step = 433000 step time: 00:00:00.147412 Performance: 67.533 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:03:44,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433000 86600 59.546 -32527 6526.3 -39053 -39053 -0.00034288 -0.00044764 -0.00038097 7.5579e+05 2024-05-09 01:04:00,732 INFO [main.py:798]
{rank 0/64} MD step = 433100 step time: 00:00:00.147440 Performance: 67.536 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:04:06,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433100 86620 59.844 -32741 6559 -39300 -39300 -0.00030478 -0.00080005 -4.7622e-05 7.5594e+05 2024-05-09 01:04:22,714 INFO [main.py:798]
{rank 0/64} MD step = 433200 step time: 00:00:00.154536 Performance: 67.538 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:04:27,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433200 86640 58.94 -32648 6459.9 -39108 -39108 -0.00022858 -0.00027621 -0.0007429 7.5617e+05 2024-05-09 01:04:44,570 INFO [main.py:798]
{rank 0/64} MD step = 433300 step time: 00:00:00.144615 Performance: 67.540 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:04:50,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433300 86660 60.754 -32578 6658.7 -39236 -39236 -0.00045717 -0.00027621 0 7.5634e+05 2024-05-09 01:05:06,748 INFO [main.py:798]
{rank 0/64} MD step = 433400 step time: 00:00:00.148394 Performance: 67.542 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:05:12,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433400 86680 59.803 -32590 6554.4 -39145 -39145 -0.00041907 -0.00057146 -0.00055241 7.5655e+05 2024-05-09 01:05:28,937 INFO [main.py:798]
{rank 0/64} MD step = 433500 step time: 00:00:00.153633 Performance: 67.544 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:05:35,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433500 86700 59.992 -32537 6575.2 -39112 -39112 -0.00011429 -0.00055241 -0.00019049 7.5669e+05 2024-05-09 01:05:51,386 INFO [main.py:798]
{rank 0/64} MD step = 433600 step time: 00:00:00.150298 Performance: 67.546 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:05:57,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433600 86720 59.413 -32712 6511.8 -39224 -39224 -0.00037145 -0.00049527 -0.00057146 7.5686e+05 2024-05-09 01:06:13,814 INFO [main.py:798]
{rank 0/64} MD step = 433700 step time: 00:00:00.145869 Performance: 67.548 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:06:19,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433700 86740 59.879 -32657 6562.9 -39220 -39220 -0.00011429 -0.00029525 -8.5719e-05 7.5703e+05 2024-05-09 01:06:36,057 INFO [main.py:798]
{rank 0/64} MD step = 433800 step time: 00:00:00.145710 Performance: 67.550 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:06:43,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433800 86760 60.598 -32560 6641.6 -39201 -39201 -0.00036193 -0.00043812 -0.00064766 7.572e+05 2024-05-09 01:06:59,710 INFO [main.py:798]
{rank 0/64} MD step = 433900 step time: 00:00:00.150802 Performance: 67.551 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:07:06,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433900 86780 60.313 -32480 6610.3 -39090 -39090 -5.7146e-05 -0.00036193 -0.00041907 7.5738e+05 2024-05-09 01:07:21,957 INFO [main.py:798]
{rank 0/64} MD step = 434000 step time: 00:00:00.161438 Performance: 67.553 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:07:27,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434000 86800 60.022 -32671 6578.5 -39249 -39249 -0.00019287 -0.00055241 -0.00041907 7.5751e+05 2024-05-09 01:07:43,562 INFO [main.py:798]
{rank 0/64} MD step = 434100 step time: 00:00:00.144186 Performance: 67.556 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:07:48,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434100 86820 59.938 -32698 6569.3 -39267 -39267 0.00011429 -0.00038097 -0.00036193 7.5768e+05 2024-05-09 01:08:04,159 INFO [main.py:798]
{rank 0/64} MD step = 434200 step time: 00:00:00.147630 Performance: 67.559 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 01:08:09,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434200 86840 59.669 -32688 6539.8 -39228 -39228 -0.00021906 -0.00038097 -0.00075719 7.5785e+05 2024-05-09 01:08:26,948 INFO [main.py:798]
{rank 0/64} MD step = 434300 step time: 00:00:00.158367 Performance: 67.560 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 01:08:35,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434300 86860 60.439 -32563 6624.2 -39188 -39188 -0.00032383 -0.00024763 -0.00045717 7.5801e+05 2024-05-09 01:08:50,831 INFO [main.py:798]
{rank 0/64} MD step = 434400 step time: 00:00:00.159476 Performance: 67.562 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 01:08:58,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434400 86880 59.188 -32575 6487.1 -39062 -39062 -0.00011429 -0.00049527 -0.00043812 7.5821e+05 2024-05-09 01:09:15,665 INFO [main.py:798]
{rank 0/64} MD step = 434500 step time: 00:00:00.179700 Performance: 67.562 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 01:09:22,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434500 86900 60.547 -32546 6636 -39182 -39182 -0.00053336 5.7146e-05 -0.00062861 7.5837e+05 2024-05-09 01:09:38,900 INFO [main.py:798]
{rank 0/64} MD step = 434600 step time: 00:00:00.160018 Performance: 67.563 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 01:09:45,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434600 86920 58.824 -32733 6447.2 -39180 -39180 -0.00049527 -0.00038097 -0.00064766 7.5855e+05 2024-05-09 01:10:01,149 INFO [main.py:798]
{rank 0/64} MD step = 434700 step time: 00:00:00.158556 Performance: 67.565 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 01:10:06,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434700 86940 59.783 -32716 6552.3 -39269 -39269 -0.00055241 -0.00041907 -0.00055241 7.5872e+05 2024-05-09 01:10:22,273 INFO [main.py:798]
{rank 0/64} MD step = 434800 step time: 00:00:00.162432 Performance: 67.568 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 01:10:26,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434800 86960 59.806 -32548 6554.8 -39103 -39103 -0.00028573 -0.00053336 -0.00075004 7.5891e+05 2024-05-09 01:10:43,544 INFO [main.py:798]
{rank 0/64} MD step = 434900 step time: 00:00:00.159829 Performance: 67.571 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 01:10:48,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434900 86980 60.95 -32363 6680.2 -39043 -39043 -0.00026668 -0.00043812 -0.00057146 7.5911e+05 2024-05-09 01:11:04,434 INFO [main.py:798]
{rank 0/64} MD step = 435000 step time: 00:00:00.149620 Performance: 67.574 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-09 01:11:09,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435000 87000 59.983 -32520 6574.2 -39095 -39095 -0.00051431 -0.00049527 -0.00048574 7.5928e+05 2024-05-09 01:11:27,011 INFO [main.py:798]
{rank 0/64} MD step = 435100 step time: 00:00:00.158022 Performance: 67.575 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-09 01:11:32,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435100 87020 60.455 -32565 6625.9 -39191 -39191 -0.00036193 -0.00022858 -0.00049527 7.5944e+05 2024-05-09 01:11:47,430 INFO [main.py:798]
{rank 0/64} MD step = 435200 step time: 00:00:00.157098 Performance: 67.579 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-09 01:11:53,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435200 87040 59.808 -32613 6555 -39168 -39168 -0.00022858 -0.00020001 -0.0006667 7.5962e+05 2024-05-09 01:12:09,343 INFO [main.py:798]
{rank 0/64} MD step = 435300 step time: 00:00:00.140713 Performance: 67.581 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-09 01:12:16,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435300 87060 59.682 -32608 6541.2 -39150 -39150 -0.00026668 -0.00047622 -0.00051431 7.598e+05 2024-05-09 01:12:33,527 INFO [main.py:798]
{rank 0/64} MD step = 435400 step time: 00:00:00.148869 Performance: 67.582 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-09 01:13:31,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435400 87080 60.462 -32453 6626.7 -39080 -39080 -0.00034288 -0.00034288 -0.00057146 7.5998e+05 2024-05-09 01:13:47,712 INFO [main.py:798]
{rank 0/64} MD step = 435500 step time: 00:00:00.158476 Performance: 67.552 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 01:14:23,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435500 87100 60.435 -32499 6623.8 -39123 -39123 -0.00019049 -0.0003143 -0.00034288 7.6015e+05 2024-05-09 01:14:39,431 INFO [main.py:798]
{rank 0/64} MD step = 435600 step time: 00:00:00.166055 Performance: 67.536 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 01:15:15,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435600 87120 59.913 -32470 6566.5 -39037 -39037 -0.00045717 -0.00038097 -0.00044288 7.6035e+05 2024-05-09 01:15:31,989 INFO [main.py:798]
{rank 0/64} MD step = 435700 step time: 00:00:00.168211 Performance: 67.520 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 01:16:39,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435700 87140 59.83 -32603 6557.5 -39161 -39161 6.667e-05 -0.00038097 0 7.6051e+05 2024-05-09 01:16:56,197 INFO [main.py:798]
{rank 0/64} MD step = 435800 step time: 00:00:00.150705 Performance: 67.484 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 01:18:06,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435800 87160 60.672 -32576 6649.8 -39226 -39226 -0.00045003 -0.00014287 -1.9049e-05 7.6067e+05 2024-05-09 01:18:24,647 INFO [main.py:798]
{rank 0/64} MD step = 435900 step time: 00:00:00.153079 Performance: 67.446 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 01:19:14,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435900 87180 60.356 -32508 6615.1 -39123 -39123 -0.00020954 -0.00030478 -0.00049527 7.6084e+05 2024-05-09 01:19:34,574 INFO [main.py:798]
{rank 0/64} MD step = 436000 step time: 00:00:00.158504 Performance: 67.420 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 01:21:32,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436000 87200 59.893 -32632 6564.4 -39197 -39197 -0.00038097 -0.00024287 -0.00040002 7.6099e+05 2024-05-09 01:22:05,862 INFO [main.py:798]
{rank 0/64} MD step = 436100 step time: 00:00:00.157821 Performance: 67.344 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 01:23:09,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436100 87220 60.593 -32580 6641.1 -39221 -39221 -0.00034288 -0.00040002 -0.00047622 7.6117e+05 2024-05-09 01:23:24,764 INFO [main.py:798]
{rank 0/64} MD step = 436200 step time: 00:00:00.155082 Performance: 67.312 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 01:24:30,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436200 87240 60.112 -32504 6588.4 -39092 -39092 -0.00015239 -0.00041907 -0.00045717 7.6134e+05 2024-05-09 01:24:45,621 INFO [main.py:798]
{rank 0/64} MD step = 436300 step time: 00:00:00.172219 Performance: 67.279 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 01:25:56,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436300 87260 60.175 -32509 6595.2 -39104 -39104 -0.00038097 -0.00047622 -0.00068575 7.6151e+05 2024-05-09 01:26:25,783 INFO [main.py:798]
{rank 0/64} MD step = 436400 step time: 00:00:00.141933 Performance: 67.234 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 01:28:58,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436400 87280 60.146 -32426 6592 -39018 -39018 -0.00030478 -0.00036193 -0.00011429 7.6169e+05 2024-05-09 01:29:17,761 INFO [main.py:798]
{rank 0/64} MD step = 436500 step time: 00:00:00.155598 Performance: 67.147 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 01:29:59,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436500 87300 61.131 -32453 6700 -39153 -39153 -0.00034764 -0.00064766 -0.00023335 7.6183e+05 2024-05-09 01:30:55,889 INFO [main.py:798]
{rank 0/64} MD step = 436600 step time: 00:00:00.163910 Performance: 67.103 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 01:32:02,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436600 87320 60.117 -32495 6588.9 -39084 -39084 -0.00030478 -0.00049527 -0.0007048 7.6202e+05 2024-05-09 01:32:27,869 INFO [main.py:798]
{rank 0/64} MD step = 436700 step time: 00:00:00.151701 Performance: 67.064 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 01:34:01,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436700 87340 59.015 -32668 6468.1 -39136 -39136 -0.00019525 -0.00022858 -0.00065718 7.6217e+05 2024-05-09 01:34:21,301 INFO [main.py:798]
{rank 0/64} MD step = 436800 step time: 00:00:00.157094 Performance: 67.012 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 01:34:54,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436800 87360 59.69 -32650 6542.1 -39192 -39192 0.00021906 -0.00038097 -0.00061908 7.6232e+05 2024-05-09 01:35:12,025 INFO [main.py:798]
{rank 0/64} MD step = 436900 step time: 00:00:00.151325 Performance: 66.997 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 01:35:56,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436900 87380 60.191 -32555 6597 -39152 -39152 -0.00022858 -0.00029525 -0.00027621 7.6252e+05 2024-05-09 01:36:16,131 INFO [main.py:798]
{rank 0/64} MD step = 437000 step time: 00:00:00.165757 Performance: 66.974 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 01:36:44,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437000 87400 60.256 -32571 6604.2 -39175 -39175 -0.00047622 -0.00038097 1.9049e-05 7.627e+05 2024-05-09 01:37:00,366 INFO [main.py:798]
{rank 0/64} MD step = 437100 step time: 00:00:00.154702 Performance: 66.963 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 01:37:24,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437100 87420 60.481 -32499 6628.8 -39128 -39128 -0.00041907 -0.00046669 0 7.6289e+05 2024-05-09 01:37:50,703 INFO [main.py:798]
{rank 0/64} MD step = 437200 step time: 00:00:00.142414 Performance: 66.949 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-09 01:38:59,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437200 87440 59.599 -32664 6532.1 -39196 -39196 -0.00026668 0.00010477 -0.00059051 7.6306e+05 2024-05-09 01:39:14,826 INFO [main.py:798]
{rank 0/64} MD step = 437300 step time: 00:00:00.156559 Performance: 66.914 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 01:40:42,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437300 87460 59.39 -32663 6509.2 -39172 -39172 -0.00025716 -0.0004286 -0.00045717 7.6324e+05 2024-05-09 01:41:25,914 INFO [main.py:798]
{rank 0/64} MD step = 437400 step time: 00:00:00.149061 Performance: 66.852 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 01:42:26,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437400 87480 60.249 -32570 6603.3 -39173 -39173 -0.00030478 -0.00032383 -0.00049527 7.6342e+05 2024-05-09 01:42:40,861 INFO [main.py:798]
{rank 0/64} MD step = 437500 step time: 00:00:00.139424 Performance: 66.823 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 01:43:20,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437500 87500 59.316 -32584 6501.1 -39086 -39086 -0.00058099 -0.00038097 -0.00029525 7.6361e+05 2024-05-09 01:43:35,731 INFO [main.py:798]
{rank 0/64} MD step = 437600 step time: 00:00:00.158813 Performance: 66.806 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 01:44:01,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437600 87520 59.448 -32692 6515.6 -39208 -39208 -0.00040002 -0.00034288 -0.00060003 7.6377e+05 2024-05-09 01:44:19,018 INFO [main.py:798]
{rank 0/64} MD step = 437700 step time: 00:00:00.160298 Performance: 66.795 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 01:44:39,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437700 87540 60.218 -32605 6600 -39206 -39206 0.00015239 -0.00041907 -0.00038097 7.6396e+05 2024-05-09 01:44:55,779 INFO [main.py:798]
{rank 0/64} MD step = 437800 step time: 00:00:00.160295 Performance: 66.789 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 01:46:03,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437800 87560 60.774 -32556 6660.9 -39217 -39217 -0.00037145 -0.00022858 -9.5243e-05 7.6412e+05 2024-05-09 01:46:18,764 INFO [main.py:798]
{rank 0/64} MD step = 437900 step time: 00:00:00.141115 Performance: 66.755 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:46:46,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437900 87580 60.74 -32475 6657.1 -39132 -39132 -0.00041669 -0.00038097 -0.00048574 7.643e+05 2024-05-09 01:47:03,029 INFO [main.py:798]
{rank 0/64} MD step = 438000 step time: 00:00:00.165245 Performance: 66.744 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:47:10,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438000 87600 60.12 -32456 6589.2 -39045 -39045 0.00011429 -0.00033335 -0.00072385 7.6449e+05 2024-05-09 01:47:26,260 INFO [main.py:798]
{rank 0/64} MD step = 438100 step time: 00:00:00.155764 Performance: 66.746 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:47:32,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438100 87620 59.661 -32501 6538.9 -39040 -39040 -0.00056194 -0.00028573 -0.00043812 7.6467e+05 2024-05-09 01:47:47,773 INFO [main.py:798]
{rank 0/64} MD step = 438200 step time: 00:00:00.165198 Performance: 66.749 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:47:57,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438200 87640 58.871 -32688 6452.3 -39141 -39141 -0.00051431 -0.00043812 -0.00048574 7.6487e+05 2024-05-09 01:48:12,360 INFO [main.py:798]
{rank 0/64} MD step = 438300 step time: 00:00:00.157743 Performance: 66.749 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:48:16,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438300 87660 60.015 -32624 6577.7 -39202 -39202 -0.00038097 -0.00050479 -0.0003524 7.6501e+05 2024-05-09 01:48:33,797 INFO [main.py:798]
{rank 0/64} MD step = 438400 step time: 00:00:00.160273 Performance: 66.752 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:48:39,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438400 87680 59.223 -32540 6490.9 -39031 -39031 -0.00038097 -0.00044764 -0.0007048 7.6519e+05 2024-05-09 01:48:55,564 INFO [main.py:798]
{rank 0/64} MD step = 438500 step time: 00:00:00.190443 Performance: 66.754 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:49:02,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438500 87700 60.335 -32496 6612.8 -39109 -39109 -0.00034288 -0.00049527 -0.00040955 7.6535e+05 2024-05-09 01:49:17,916 INFO [main.py:798]
{rank 0/64} MD step = 438600 step time: 00:00:00.150868 Performance: 66.756 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:49:24,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438600 87720 59.777 -32485 6551.6 -39037 -39037 -0.00046193 -0.0003143 -0.00053336 7.6551e+05 2024-05-09 01:49:40,165 INFO [main.py:798]
{rank 0/64} MD step = 438700 step time: 00:00:00.161381 Performance: 66.759 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 01:49:46,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438700 87740 60.523 -32579 6633.4 -39213 -39213 -0.00036193 -0.00028573 -4.7622e-05 7.6567e+05 2024-05-09 01:50:01,729 INFO [main.py:798]
{rank 0/64} MD step = 438800 step time: 00:00:00.153522 Performance: 66.761 ns/day 0.359 hours/ns 3.863 steps/s 2024-05-09 01:50:08,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438800 87760 59.486 -32736 6519.7 -39256 -39256 -0.0003143 -0.00040002 -0.00053336 7.6586e+05 2024-05-09 01:50:24,140 INFO [main.py:798]
{rank 0/64} MD step = 438900 step time: 00:00:00.139446 Performance: 66.763 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:50:30,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438900 87780 60.219 -32647 6600.1 -39247 -39247 -0.00013334 -0.00049527 -0.00045717 7.6603e+05 2024-05-09 01:50:46,590 INFO [main.py:798]
{rank 0/64} MD step = 439000 step time: 00:00:00.155909 Performance: 66.765 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:50:53,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439000 87800 58.736 -32750 6437.5 -39188 -39188 -0.00032383 -0.00063813 -0.00047622 7.6622e+05 2024-05-09 01:51:08,633 INFO [main.py:798]
{rank 0/64} MD step = 439100 step time: 00:00:00.156184 Performance: 66.767 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:51:15,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439100 87820 60.933 -32442 6678.4 -39121 -39121 -0.00033335 -0.00028097 -0.00076195 7.6643e+05 2024-05-09 01:51:30,708 INFO [main.py:798]
{rank 0/64} MD step = 439200 step time: 00:00:00.152174 Performance: 66.770 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:51:34,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439200 87840 60.665 -32491 6648.9 -39140 -39140 -0.00038097 7.6195e-05 -7.6195e-05 7.6658e+05 2024-05-09 01:51:52,518 INFO [main.py:798]
{rank 0/64} MD step = 439300 step time: 00:00:00.161771 Performance: 66.772 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:52:01,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439300 87860 59.449 -32643 6515.7 -39158 -39158 -0.00024763 -0.00045717 -1.9049e-05 7.6678e+05 2024-05-09 01:52:17,315 INFO [main.py:798]
{rank 0/64} MD step = 439400 step time: 00:00:00.154683 Performance: 66.773 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:52:25,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439400 87880 59.353 -32539 6505.1 -39044 -39044 -0.00045717 -0.00053336 -0.00053336 7.6695e+05 2024-05-09 01:52:41,667 INFO [main.py:798]
{rank 0/64} MD step = 439500 step time: 00:00:00.152747 Performance: 66.774 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:52:52,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439500 87900 60.391 -32582 6618.9 -39201 -39201 -0.00024763 -0.00036193 -6.667e-05 7.671e+05 2024-05-09 01:53:08,018 INFO [main.py:798]
{rank 0/64} MD step = 439600 step time: 00:00:00.157197 Performance: 66.773 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:53:13,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439600 87920 59.636 -32686 6536.1 -39222 -39222 -0.00028573 -0.00022858 -0.0002143 7.6727e+05 2024-05-09 01:53:32,557 INFO [main.py:798]
{rank 0/64} MD step = 439700 step time: 00:00:00.156247 Performance: 66.774 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:53:38,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439700 87940 60.184 -32595 6596.3 -39191 -39191 -0.00026668 -0.00045717 -0.00087624 7.6744e+05 2024-05-09 01:53:54,211 INFO [main.py:798]
{rank 0/64} MD step = 439800 step time: 00:00:00.160006 Performance: 66.777 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:54:02,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439800 87960 59.72 -32608 6545.4 -39154 -39154 -0.00024763 -0.00049527 3.8097e-05 7.6759e+05 2024-05-09 01:54:21,118 INFO [main.py:798]
{rank 0/64} MD step = 439900 step time: 00:00:00.161395 Performance: 66.776 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:54:26,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439900 87980 60.497 -32507 6630.5 -39138 -39138 -0.00011191 -0.00040002 0 7.6777e+05 2024-05-09 01:54:42,179 INFO [main.py:798]
{rank 0/64} MD step = 440000 step time: 00:00:00.151856 Performance: 66.779 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 01:54:48,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440000 88000 59.602 -32598 6532.4 -39131 -39131 -0.00043812 -0.00062384 1.9049e-05 7.6794e+05 2024-05-09 01:55:04,634 INFO [main.py:798]
{rank 0/64} MD step = 440100 step time: 00:00:00.156565 Performance: 66.781 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 01:55:10,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440100 88020 60.159 -32526 6593.5 -39120 -39120 -0.00045241 -0.00028573 3.8097e-05 7.6811e+05 2024-05-09 01:55:26,065 INFO [main.py:798]
{rank 0/64} MD step = 440200 step time: 00:00:00.157005 Performance: 66.783 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 01:55:33,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440200 88040 59.98 -32585 6573.8 -39158 -39158 -0.00013334 -0.00044764 -0.00068575 7.6833e+05 2024-05-09 01:55:49,748 INFO [main.py:798]
{rank 0/64} MD step = 440300 step time: 00:00:00.157278 Performance: 66.785 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 01:56:06,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440300 88060 60.123 -32504 6589.6 -39094 -39094 -0.00034288 -0.00068575 -0.00045717 7.6849e+05 2024-05-09 01:56:22,233 INFO [main.py:798]
{rank 0/64} MD step = 440400 step time: 00:00:00.157512 Performance: 66.781 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 01:56:26,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440400 88080 60.084 -32621 6585.3 -39207 -39207 -0.00045717 -0.00020001 -0.00036193 7.6864e+05 2024-05-09 01:56:43,203 INFO [main.py:798]
{rank 0/64} MD step = 440500 step time: 00:00:00.137145 Performance: 66.784 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 01:57:05,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440500 88100 60.424 -32506 6622.5 -39128 -39128 -0.00038097 -0.00034288 -0.00055241 7.6882e+05 2024-05-09 01:57:21,717 INFO [main.py:798]
{rank 0/64} MD step = 440600 step time: 00:00:00.155282 Performance: 66.776 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:57:39,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440600 88120 60.587 -32541 6640.4 -39182 -39182 -0.00026668 -0.0004286 -0.00015239 7.6901e+05 2024-05-09 01:57:56,529 INFO [main.py:798]
{rank 0/64} MD step = 440700 step time: 00:00:00.162792 Performance: 66.771 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:58:03,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440700 88140 60.347 -32565 6614.1 -39179 -39179 0.00038097 -0.00060956 -0.00020954 7.6919e+05 2024-05-09 01:58:18,856 INFO [main.py:798]
{rank 0/64} MD step = 440800 step time: 00:00:00.165886 Performance: 66.773 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:58:25,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440800 88160 60.219 -32550 6600 -39150 -39150 -0.00030478 -0.00028573 3.8097e-05 7.6937e+05 2024-05-09 01:58:40,784 INFO [main.py:798]
{rank 0/64} MD step = 440900 step time: 00:00:00.157766 Performance: 66.775 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:58:47,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440900 88180 60.379 -32642 6617.7 -39259 -39259 -0.00024763 -0.00041907 -0.00048574 7.6954e+05 2024-05-09 01:59:02,350 INFO [main.py:798]
{rank 0/64} MD step = 441000 step time: 00:00:00.154175 Performance: 66.778 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:59:17,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441000 88200 59.438 -32732 6514.5 -39247 -39247 -0.00030478 -0.00049527 -0.00022858 7.6971e+05 2024-05-09 01:59:34,341 INFO [main.py:798]
{rank 0/64} MD step = 441100 step time: 00:00:00.155081 Performance: 66.774 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 01:59:42,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441100 88220 60.059 -32582 6582.5 -39164 -39164 -0.0003905 -0.00020954 -0.00036193 7.6993e+05 2024-05-09 01:59:58,746 INFO [main.py:798]
{rank 0/64} MD step = 441200 step time: 00:00:00.145237 Performance: 66.775 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:00:05,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441200 88240 59.588 -32634 6530.9 -39165 -39165 -0.00042383 -0.00024763 -0.00041907 7.7013e+05 2024-05-09 02:00:22,568 INFO [main.py:798]
{rank 0/64} MD step = 441300 step time: 00:00:00.145139 Performance: 66.776 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:00:30,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441300 88260 60.44 -32503 6624.3 -39127 -39127 -7.6195e-05 -0.00054765 -0.00017144 7.7026e+05 2024-05-09 02:00:46,560 INFO [main.py:798]
{rank 0/64} MD step = 441400 step time: 00:00:00.160458 Performance: 66.778 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:00:53,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441400 88280 59.941 -32567 6569.6 -39137 -39137 -0.00027144 -0.00055241 -0.00041907 7.7045e+05 2024-05-09 02:01:10,124 INFO [main.py:798]
{rank 0/64} MD step = 441500 step time: 00:00:00.146506 Performance: 66.779 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:01:17,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441500 88300 60.12 -32528 6589.2 -39117 -39117 -4.7622e-05 -0.00026668 -0.00054765 7.7065e+05 2024-05-09 02:01:33,429 INFO [main.py:798]
{rank 0/64} MD step = 441600 step time: 00:00:00.144966 Performance: 66.780 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:01:40,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441600 88320 59.52 -32602 6523.4 -39126 -39126 -0.0004286 -0.00026668 -0.00059051 7.7083e+05 2024-05-09 02:01:57,895 INFO [main.py:798]
{rank 0/64} MD step = 441700 step time: 00:00:00.140414 Performance: 66.781 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:02:04,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441700 88340 59.831 -32663 6557.6 -39221 -39221 -0.00026668 -0.00043812 -0.00040955 7.7098e+05 2024-05-09 02:02:20,734 INFO [main.py:798]
{rank 0/64} MD step = 441800 step time: 00:00:00.151112 Performance: 66.783 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:02:32,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441800 88360 59.944 -32614 6569.9 -39184 -39184 -0.00053336 -0.00048574 -0.00086672 7.7116e+05 2024-05-09 02:02:47,767 INFO [main.py:798]
{rank 0/64} MD step = 441900 step time: 00:00:00.135880 Performance: 66.782 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:03:23,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441900 88380 60.161 -32577 6593.7 -39171 -39171 -0.00040955 -0.00055241 3.3335e-05 7.7135e+05 2024-05-09 02:03:41,346 INFO [main.py:798]
{rank 0/64} MD step = 442000 step time: 00:00:00.166542 Performance: 66.766 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:04:07,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442000 88400 60.444 -32485 6624.8 -39109 -39109 -0.0003143 -0.00057146 -0.00053336 7.7154e+05 2024-05-09 02:04:24,009 INFO [main.py:798]
{rank 0/64} MD step = 442100 step time: 00:00:00.160408 Performance: 66.756 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:04:35,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442100 88420 60.211 -32548 6599.2 -39147 -39147 -0.00028573 -0.00038097 -0.00029525 7.7169e+05 2024-05-09 02:04:51,199 INFO [main.py:798]
{rank 0/64} MD step = 442200 step time: 00:00:00.155736 Performance: 66.756 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:05:01,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442200 88440 60.85 -32491 6669.2 -39160 -39160 -0.00020954 -0.00051431 -0.00041907 7.7188e+05 2024-05-09 02:05:19,479 INFO [main.py:798]
{rank 0/64} MD step = 442300 step time: 00:00:00.144453 Performance: 66.754 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:05:36,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442300 88460 60.396 -32639 6619.5 -39258 -39258 -0.00015239 -0.00022858 -9.5243e-05 7.7206e+05 2024-05-09 02:05:51,883 INFO [main.py:798]
{rank 0/64} MD step = 442400 step time: 00:00:00.146015 Performance: 66.750 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:06:08,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442400 88480 59.915 -32757 6566.8 -39324 -39324 -0.00045717 -0.00041907 -0.0006048 7.722e+05 2024-05-09 02:06:24,010 INFO [main.py:798]
{rank 0/64} MD step = 442500 step time: 00:00:00.150819 Performance: 66.747 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:06:44,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442500 88500 60.28 -32650 6606.7 -39257 -39257 -0.00032383 -0.00032383 -0.00057146 7.7241e+05 2024-05-09 02:07:01,440 INFO [main.py:798]
{rank 0/64} MD step = 442600 step time: 00:00:00.147959 Performance: 66.740 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 02:07:16,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442600 88520 60.831 -32511 6667.1 -39178 -39178 -0.00027144 -0.00015239 -0.00012382 7.7258e+05 2024-05-09 02:07:31,843 INFO [main.py:798]
{rank 0/64} MD step = 442700 step time: 00:00:00.162066 Performance: 66.737 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 02:07:38,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442700 88540 60.615 -32484 6643.5 -39127 -39127 0 -0.00027621 -6.667e-05 7.7275e+05 2024-05-09 02:07:53,726 INFO [main.py:798]
{rank 0/64} MD step = 442800 step time: 00:00:00.155181 Performance: 66.740 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 02:07:57,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442800 88560 60.542 -32493 6635.5 -39128 -39128 -0.00028573 -0.00034288 -0.00023811 7.7293e+05 2024-05-09 02:08:16,096 INFO [main.py:798]
{rank 0/64} MD step = 442900 step time: 00:00:00.147924 Performance: 66.742 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 02:08:28,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442900 88580 60.101 -32496 6587.1 -39084 -39084 0.00015239 -0.00030478 -0.00045717 7.7311e+05 2024-05-09 02:08:43,876 INFO [main.py:798]
{rank 0/64} MD step = 443000 step time: 00:00:00.166704 Performance: 66.741 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 02:08:50,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443000 88600 59.941 -32497 6569.6 -39066 -39066 0.00032383 -0.00036193 -0.00060956 7.733e+05 2024-05-09 02:09:06,117 INFO [main.py:798]
{rank 0/64} MD step = 443100 step time: 00:00:00.162777 Performance: 66.743 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 02:09:13,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443100 88620 60.231 -32522 6601.4 -39123 -39123 -0.00014287 -0.00045717 0.00015239 7.7347e+05 2024-05-09 02:09:29,274 INFO [main.py:798]
{rank 0/64} MD step = 443200 step time: 00:00:00.165854 Performance: 66.744 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:09:33,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443200 88640 59.956 -32615 6571.2 -39187 -39187 -0.0003143 -0.0003143 -0.00057146 7.7363e+05 2024-05-09 02:09:50,824 INFO [main.py:798]
{rank 0/64} MD step = 443300 step time: 00:00:00.160567 Performance: 66.747 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:10:00,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443300 88660 60.983 -32395 6683.9 -39079 -39079 -6.667e-05 -0.00072385 -0.00064766 7.7385e+05 2024-05-09 02:10:16,090 INFO [main.py:798]
{rank 0/64} MD step = 443400 step time: 00:00:00.156834 Performance: 66.747 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:10:22,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443400 88680 59.382 -32590 6508.3 -39098 -39098 -0.00024763 -0.00046669 -0.00051431 7.7396e+05 2024-05-09 02:10:38,481 INFO [main.py:798]
{rank 0/64} MD step = 443500 step time: 00:00:00.157612 Performance: 66.749 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:10:43,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443500 88700 59.698 -32597 6543 -39140 -39140 -0.00026668 -0.00060956 -0.00024763 7.7415e+05 2024-05-09 02:11:01,018 INFO [main.py:798]
{rank 0/64} MD step = 443600 step time: 00:00:00.165597 Performance: 66.751 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:11:10,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443600 88720 60.724 -32531 6655.5 -39186 -39186 -0.00038097 -0.00034288 -0.00024763 7.7432e+05 2024-05-09 02:11:25,785 INFO [main.py:798]
{rank 0/64} MD step = 443700 step time: 00:00:00.156303 Performance: 66.752 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:11:34,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443700 88740 60.458 -32577 6626.3 -39203 -39203 -0.00034288 -0.00041907 -0.00038097 7.7448e+05 2024-05-09 02:11:50,045 INFO [main.py:798]
{rank 0/64} MD step = 443800 step time: 00:00:00.155397 Performance: 66.753 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:11:59,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443800 88760 59.68 -32755 6541 -39296 -39296 -0.00036193 -0.00031907 -0.0004286 7.7465e+05 2024-05-09 02:12:15,356 INFO [main.py:798]
{rank 0/64} MD step = 443900 step time: 00:00:00.144949 Performance: 66.753 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:12:21,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443900 88780 59.288 -32623 6498.1 -39121 -39121 -0.00043812 -0.00041907 -0.00041907 7.749e+05 2024-05-09 02:12:37,488 INFO [main.py:798]
{rank 0/64} MD step = 444000 step time: 00:00:00.142256 Performance: 66.755 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:12:43,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444000 88800 60.349 -32533 6614.4 -39147 -39147 -0.00062861 -0.00056194 -0.00026668 7.7505e+05 2024-05-09 02:12:59,626 INFO [main.py:798]
{rank 0/64} MD step = 444100 step time: 00:00:00.141343 Performance: 66.758 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:13:06,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444100 88820 59.805 -32571 6554.7 -39126 -39126 -0.00041907 -0.00041907 -0.00055241 7.7523e+05 2024-05-09 02:13:22,543 INFO [main.py:798]
{rank 0/64} MD step = 444200 step time: 00:00:00.146478 Performance: 66.759 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 02:13:27,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444200 88840 60.226 -32508 6600.8 -39109 -39109 -0.00022858 -0.00040002 -0.00063813 7.7541e+05 2024-05-09 02:13:45,515 INFO [main.py:798]
{rank 0/64} MD step = 444300 step time: 00:00:00.175954 Performance: 66.761 ns/day 0.359 hours/ns 3.863 steps/s 2024-05-09 02:13:52,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444300 88860 59.078 -32699 6475 -39174 -39174 -0.00038097 -0.00053336 -0.00068575 7.756e+05 2024-05-09 02:14:10,635 INFO [main.py:798]
{rank 0/64} MD step = 444400 step time: 00:00:00.147964 Performance: 66.761 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:14:17,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444400 88880 59.961 -32625 6571.8 -39197 -39197 -0.00062861 -0.00057146 -5.7146e-05 7.7579e+05 2024-05-09 02:14:34,742 INFO [main.py:798]
{rank 0/64} MD step = 444500 step time: 00:00:00.141836 Performance: 66.762 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:14:44,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444500 88900 60.203 -32657 6598.3 -39255 -39255 -0.00034288 -0.00024763 0.00018096 7.7595e+05 2024-05-09 02:15:00,191 INFO [main.py:798]
{rank 0/64} MD step = 444600 step time: 00:00:00.153737 Performance: 66.763 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:15:07,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444600 88920 60.185 -32565 6596.4 -39161 -39161 -0.00026668 -0.00051431 -0.00055241 7.7613e+05 2024-05-09 02:15:22,664 INFO [main.py:798]
{rank 0/64} MD step = 444700 step time: 00:00:00.150287 Performance: 66.765 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:15:29,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444700 88940 60.161 -32568 6593.7 -39161 -39161 -0.00038097 -0.00038097 -9.5243e-05 7.7631e+05 2024-05-09 02:15:44,794 INFO [main.py:798]
{rank 0/64} MD step = 444800 step time: 00:00:00.146540 Performance: 66.767 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:15:51,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444800 88960 59.711 -32703 6544.4 -39248 -39248 0.00011429 -0.00022858 -9.5243e-05 7.7647e+05 2024-05-09 02:16:07,286 INFO [main.py:798]
{rank 0/64} MD step = 444900 step time: 00:00:00.153208 Performance: 66.769 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:16:14,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444900 88980 60.66 -32520 6648.4 -39168 -39168 -0.00038097 -0.00041907 -0.00046669 7.7666e+05 2024-05-09 02:16:29,874 INFO [main.py:798]
{rank 0/64} MD step = 445000 step time: 00:00:00.136400 Performance: 66.771 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:16:36,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445000 89000 59.526 -32679 6524.2 -39203 -39203 -0.00044764 -0.00047622 -0.00030478 7.7685e+05 2024-05-09 02:16:54,000 INFO [main.py:798]
{rank 0/64} MD step = 445100 step time: 00:00:00.141195 Performance: 66.772 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:17:02,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445100 89020 60.688 -32625 6651.5 -39276 -39276 -0.00047622 -0.00051431 1.9049e-05 7.7698e+05 2024-05-09 02:17:18,845 INFO [main.py:798]
{rank 0/64} MD step = 445200 step time: 00:00:00.150459 Performance: 66.772 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:17:26,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445200 89040 59.319 -32632 6501.4 -39133 -39133 -0.00049527 -0.00062861 -0.00040002 7.7716e+05 2024-05-09 02:17:42,355 INFO [main.py:798]
{rank 0/64} MD step = 445300 step time: 00:00:00.146001 Performance: 66.774 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:17:48,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445300 89060 59.735 -32665 6547.1 -39212 -39212 -0.00034288 -0.00046669 -0.00043812 7.7735e+05 2024-05-09 02:18:06,014 INFO [main.py:798]
{rank 0/64} MD step = 445400 step time: 00:00:00.136510 Performance: 66.775 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:18:13,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445400 89080 60.509 -32496 6631.8 -39128 -39128 -0.00015239 -0.00048574 -0.00045717 7.7754e+05 2024-05-09 02:18:28,779 INFO [main.py:798]
{rank 0/64} MD step = 445500 step time: 00:00:00.144330 Performance: 66.777 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:18:36,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445500 89100 60.117 -32447 6588.9 -39036 -39036 -0.00041907 -0.00034764 -0.00072385 7.7773e+05 2024-05-09 02:18:51,522 INFO [main.py:798]
{rank 0/64} MD step = 445600 step time: 00:00:00.134624 Performance: 66.779 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:19:00,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445600 89120 60.274 -32566 6606.1 -39172 -39172 -0.00045717 -0.00049527 -0.00050003 7.7788e+05 2024-05-09 02:19:16,305 INFO [main.py:798]
{rank 0/64} MD step = 445700 step time: 00:00:00.139457 Performance: 66.779 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:19:24,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445700 89140 60.136 -32571 6591 -39162 -39162 -0.00038097 -0.00038097 -0.00068575 7.7806e+05 2024-05-09 02:19:40,677 INFO [main.py:798]
{rank 0/64} MD step = 445800 step time: 00:00:00.155212 Performance: 66.780 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:19:46,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445800 89160 59.944 -32508 6570 -39078 -39078 -0.00050479 -0.00053336 -0.00019049 7.7825e+05 2024-05-09 02:20:02,899 INFO [main.py:798]
{rank 0/64} MD step = 445900 step time: 00:00:00.152613 Performance: 66.782 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:20:09,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445900 89180 60.548 -32606 6636.1 -39242 -39242 -6.667e-05 -0.00047622 -0.00020954 7.784e+05 2024-05-09 02:20:24,778 INFO [main.py:798]
{rank 0/64} MD step = 446000 step time: 00:00:00.137008 Performance: 66.785 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:20:33,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446000 89200 59.766 -32558 6550.4 -39109 -39109 -0.00030478 -0.00057146 0.00013334 7.786e+05 2024-05-09 02:20:49,017 INFO [main.py:798]
{rank 0/64} MD step = 446100 step time: 00:00:00.164739 Performance: 66.786 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:20:54,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446100 89220 59.844 -32590 6559 -39149 -39149 -0.00045717 -0.00037145 -0.00068575 7.7878e+05 2024-05-09 02:21:10,140 INFO [main.py:798]
{rank 0/64} MD step = 446200 step time: 00:00:00.154079 Performance: 66.788 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:21:16,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446200 89240 60.536 -32572 6634.8 -39207 -39207 -0.00034288 -0.00011429 -0.00030716 7.7892e+05 2024-05-09 02:21:32,697 INFO [main.py:798]
{rank 0/64} MD step = 446300 step time: 00:00:00.157029 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:21:39,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446300 89260 61.02 -32422 6687.9 -39110 -39110 -0.00041907 -0.00053336 -0.00027621 7.7916e+05 2024-05-09 02:21:54,808 INFO [main.py:798]
{rank 0/64} MD step = 446400 step time: 00:00:00.154550 Performance: 66.792 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:22:11,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446400 89280 60.992 -32478 6684.8 -39163 -39163 -0.00051431 -0.00021906 -0.00050003 7.7932e+05 2024-05-09 02:22:26,528 INFO [main.py:798]
{rank 0/64} MD step = 446500 step time: 00:00:00.150140 Performance: 66.789 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:22:34,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446500 89300 61.248 -32429 6712.8 -39142 -39142 -0.00019049 -0.00036193 -0.0007048 7.7952e+05 2024-05-09 02:22:49,946 INFO [main.py:798]
{rank 0/64} MD step = 446600 step time: 00:00:00.156098 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:23:16,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446600 89320 59.159 -32519 6483.9 -39003 -39003 -0.00024763 -0.00060956 -0.00057146 7.7969e+05 2024-05-09 02:23:32,802 INFO [main.py:798]
{rank 0/64} MD step = 446700 step time: 00:00:00.162515 Performance: 66.781 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:23:40,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446700 89340 60.322 -32679 6611.4 -39291 -39291 -0.00043812 -0.00032383 -0.00060003 7.7982e+05 2024-05-09 02:23:56,281 INFO [main.py:798]
{rank 0/64} MD step = 446800 step time: 00:00:00.153987 Performance: 66.782 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:24:19,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446800 89360 59.418 -32615 6512.3 -39127 -39127 -0.00017144 -0.00045717 3.8097e-05 7.8003e+05 2024-05-09 02:24:35,806 INFO [main.py:798]
{rank 0/64} MD step = 446900 step time: 00:00:00.160813 Performance: 66.774 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:24:44,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446900 89380 60.195 -32426 6597.4 -39023 -39023 -0.00032383 -0.00038097 -0.00043812 7.8024e+05 2024-05-09 02:25:00,110 INFO [main.py:798]
{rank 0/64} MD step = 447000 step time: 00:00:00.148581 Performance: 66.775 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:25:08,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447000 89400 59.959 -32535 6571.6 -39107 -39107 -0.0004286 -0.00030478 -0.00067147 7.804e+05 2024-05-09 02:25:24,178 INFO [main.py:798]
{rank 0/64} MD step = 447100 step time: 00:00:00.150973 Performance: 66.776 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:25:34,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447100 89420 60.342 -32497 6613.6 -39110 -39110 6.667e-05 -0.00041907 -0.00054289 7.8058e+05 2024-05-09 02:25:50,964 INFO [main.py:798]
{rank 0/64} MD step = 447200 step time: 00:00:00.141363 Performance: 66.776 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:25:58,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447200 89440 60.279 -32577 6606.6 -39183 -39183 -0.00022858 -0.00053336 -0.00043812 7.8075e+05 2024-05-09 02:26:14,602 INFO [main.py:798]
{rank 0/64} MD step = 447300 step time: 00:00:00.151828 Performance: 66.777 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:26:22,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447300 89460 59.707 -32683 6543.9 -39227 -39227 -0.00028573 -0.00036193 -0.00016191 7.8091e+05 2024-05-09 02:26:38,423 INFO [main.py:798]
{rank 0/64} MD step = 447400 step time: 00:00:00.157071 Performance: 66.778 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:26:45,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447400 89480 60.267 -32539 6605.4 -39144 -39144 -0.00041907 -0.00030478 -0.00060956 7.8113e+05 2024-05-09 02:27:03,879 INFO [main.py:798]
{rank 0/64} MD step = 447500 step time: 00:00:00.156689 Performance: 66.778 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 02:27:10,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447500 89500 60.149 -32479 6592.4 -39071 -39071 -9.5243e-05 -0.00040002 -0.00032383 7.813e+05 2024-05-09 02:27:25,646 INFO [main.py:798]
{rank 0/64} MD step = 447600 step time: 00:00:00.181790 Performance: 66.781 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:27:31,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447600 89520 59.094 -32781 6476.8 -39258 -39258 -0.00020954 -0.00045717 -0.00072385 7.8146e+05 2024-05-09 02:27:47,959 INFO [main.py:798]
{rank 0/64} MD step = 447700 step time: 00:00:00.164740 Performance: 66.783 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:27:55,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447700 89540 59.451 -32728 6515.9 -39244 -39244 -5.7146e-05 -0.00026668 0.00011429 7.8168e+05 2024-05-09 02:28:10,774 INFO [main.py:798]
{rank 0/64} MD step = 447800 step time: 00:00:00.164270 Performance: 66.784 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:28:16,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447800 89560 60.231 -32587 6601.4 -39188 -39188 -0.00043812 0.00010477 -0.00049527 7.8182e+05 2024-05-09 02:28:32,283 INFO [main.py:798]
{rank 0/64} MD step = 447900 step time: 00:00:00.161544 Performance: 66.787 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:28:42,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447900 89580 60.116 -32529 6588.8 -39118 -39118 -0.00011429 -0.00030478 -0.00068575 7.8203e+05 2024-05-09 02:28:57,336 INFO [main.py:798]
{rank 0/64} MD step = 448000 step time: 00:00:00.154732 Performance: 66.787 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:29:04,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448000 89600 59.775 -32574 6551.4 -39125 -39125 -0.00032383 -0.00026668 0 7.8219e+05 2024-05-09 02:29:20,528 INFO [main.py:798]
{rank 0/64} MD step = 448100 step time: 00:00:00.143988 Performance: 66.789 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:29:30,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448100 89620 59.293 -32709 6498.6 -39208 -39208 -0.00020001 -0.00036193 -0.00054289 7.8239e+05 2024-05-09 02:29:44,663 INFO [main.py:798]
{rank 0/64} MD step = 448200 step time: 00:00:00.132741 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:29:54,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448200 89640 59.109 -32689 6478.4 -39167 -39167 -0.0003905 -0.00026668 3.8097e-05 7.8255e+05 2024-05-09 02:30:10,782 INFO [main.py:798]
{rank 0/64} MD step = 448300 step time: 00:00:00.157020 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:30:20,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448300 89660 60.322 -32548 6611.4 -39159 -39159 -0.00045003 -0.00025716 -0.00048574 7.8273e+05 2024-05-09 02:30:36,918 INFO [main.py:798]
{rank 0/64} MD step = 448400 step time: 00:00:00.143852 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:30:45,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448400 89680 60.695 -32513 6652.2 -39165 -39165 -0.00038097 -0.00050479 -3.8097e-05 7.8293e+05 2024-05-09 02:31:01,712 INFO [main.py:798]
{rank 0/64} MD step = 448500 step time: 00:00:00.146369 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:31:08,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448500 89700 59.814 -32618 6555.7 -39174 -39174 -0.00041907 -0.00038097 -0.0003143 7.8307e+05 2024-05-09 02:31:24,472 INFO [main.py:798]
{rank 0/64} MD step = 448600 step time: 00:00:00.137452 Performance: 66.792 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:31:32,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448600 89720 60.372 -32510 6616.8 -39127 -39127 -0.00041907 -0.00043812 -0.00025716 7.8325e+05 2024-05-09 02:31:48,325 INFO [main.py:798]
{rank 0/64} MD step = 448700 step time: 00:00:00.141037 Performance: 66.793 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:31:55,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448700 89740 59.352 -32607 6505 -39112 -39112 -0.00022858 -0.0003905 -0.00022858 7.834e+05 2024-05-09 02:32:11,469 INFO [main.py:798]
{rank 0/64} MD step = 448800 step time: 00:00:00.148964 Performance: 66.795 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:32:30,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448800 89760 60.565 -32501 6638 -39139 -39139 0.00027144 -0.00043812 -0.00045717 7.8356e+05 2024-05-09 02:32:46,101 INFO [main.py:798]
{rank 0/64} MD step = 448900 step time: 00:00:00.165033 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:32:58,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448900 89780 59.544 -32742 6526.1 -39269 -39269 -0.00032383 -0.00049527 -0.00015239 7.8377e+05 2024-05-09 02:33:13,913 INFO [main.py:798]
{rank 0/64} MD step = 449000 step time: 00:00:00.159309 Performance: 66.789 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:33:20,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449000 89800 60.891 -32393 6673.7 -39067 -39067 -0.00045717 -0.00036193 -0.00059051 7.8398e+05 2024-05-09 02:33:37,043 INFO [main.py:798]
{rank 0/64} MD step = 449100 step time: 00:00:00.163215 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:33:45,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449100 89820 60.051 -32511 6581.6 -39093 -39093 0.00051431 -0.00044764 -0.00050479 7.8413e+05 2024-05-09 02:34:01,878 INFO [main.py:798]
{rank 0/64} MD step = 449200 step time: 00:00:00.173320 Performance: 66.791 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:34:08,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449200 89840 60.105 -32552 6587.6 -39140 -39140 -0.00045717 -0.00038097 -5.7146e-05 7.8433e+05 2024-05-09 02:34:26,291 INFO [main.py:798]
{rank 0/64} MD step = 449300 step time: 00:00:00.153656 Performance: 66.792 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:34:39,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449300 89860 58.848 -32602 6449.8 -39052 -39052 -0.00046669 -0.00040955 -0.00057146 7.8449e+05 2024-05-09 02:34:55,486 INFO [main.py:798]
{rank 0/64} MD step = 449400 step time: 00:00:00.162864 Performance: 66.790 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:35:00,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449400 89880 59.526 -32769 6524.1 -39293 -39293 -0.0001762 -0.00041907 -0.00050479 7.8464e+05 2024-05-09 02:35:17,684 INFO [main.py:798]
{rank 0/64} MD step = 449500 step time: 00:00:00.148961 Performance: 66.792 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:35:24,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449500 89900 59.665 -32616 6539.4 -39156 -39156 -0.00057146 -0.00030478 -0.00055241 7.8482e+05 2024-05-09 02:35:39,964 INFO [main.py:798]
{rank 0/64} MD step = 449600 step time: 00:00:00.149629 Performance: 66.794 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:35:47,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449600 89920 58.738 -32739 6437.7 -39177 -39177 -1.9049e-05 -0.00049527 -0.00068575 7.8499e+05 2024-05-09 02:36:03,825 INFO [main.py:798]
{rank 0/64} MD step = 449700 step time: 00:00:00.149016 Performance: 66.795 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 02:36:11,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449700 89940 61.215 -32471 6709.2 -39180 -39180 -0.0003524 -0.00041907 -0.00041907 7.8517e+05 2024-05-09 02:36:27,668 INFO [main.py:798]
{rank 0/64} MD step = 449800 step time: 00:00:00.154408 Performance: 66.796 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:36:35,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449800 89960 60.209 -32444 6598.9 -39042 -39042 -7.6195e-05 -0.00038097 9.5243e-06 7.8535e+05 2024-05-09 02:36:52,388 INFO [main.py:798]
{rank 0/64} MD step = 449900 step time: 00:00:00.155092 Performance: 66.797 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:37:02,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449900 89980 59.852 -32558 6559.8 -39118 -39118 -0.00035716 0.00013334 -0.00071433 7.855e+05 2024-05-09 02:37:18,000 INFO [main.py:798]
{rank 0/64} MD step = 450000 step time: 00:00:00.156190 Performance: 66.797 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:37:24,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450000 90000 59.628 -32498 6535.3 -39033 -39033 -0.00014287 -0.00041907 -0.00045717 7.857e+05 2024-05-09 02:37:41,666 INFO [main.py:798]
{rank 0/64} MD step = 450100 step time: 00:00:00.159009 Performance: 66.798 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:37:47,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450100 90020 60.635 -32537 6645.7 -39183 -39183 -0.0003143 -0.00038097 -0.00067861 7.8583e+05 2024-05-09 02:38:02,908 INFO [main.py:798]
{rank 0/64} MD step = 450200 step time: 00:00:00.152835 Performance: 66.801 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:38:08,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450200 90040 59.995 -32548 6575.6 -39124 -39124 0.00029525 -0.00032383 -0.00056194 7.8605e+05 2024-05-09 02:38:24,207 INFO [main.py:798]
{rank 0/64} MD step = 450300 step time: 00:00:00.151139 Performance: 66.804 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:38:30,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450300 90060 61.242 -32581 6712.2 -39293 -39293 -0.0002524 -0.00045717 -0.00034288 7.862e+05 2024-05-09 02:38:46,761 INFO [main.py:798]
{rank 0/64} MD step = 450400 step time: 00:00:00.150720 Performance: 66.805 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:38:52,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450400 90080 59.886 -32605 6563.5 -39169 -39169 0.00041907 -0.00049527 -3.8097e-05 7.8642e+05 2024-05-09 02:39:08,247 INFO [main.py:798]
{rank 0/64} MD step = 450500 step time: 00:00:00.155954 Performance: 66.808 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:39:13,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450500 90100 60.478 -32642 6628.4 -39270 -39270 -0.00047622 -0.00038097 -0.00048574 7.8656e+05 2024-05-09 02:39:29,708 INFO [main.py:798]
{rank 0/64} MD step = 450600 step time: 00:00:00.166234 Performance: 66.811 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:39:37,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450600 90120 59.9 -32588 6565.1 -39153 -39153 -0.00029049 -0.00019049 4.7622e-05 7.8677e+05 2024-05-09 02:39:53,019 INFO [main.py:798]
{rank 0/64} MD step = 450700 step time: 00:00:00.154665 Performance: 66.812 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 02:39:59,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450700 90140 60.249 -32567 6603.4 -39170 -39170 -0.00038097 -0.00057146 -0.0007429 7.8695e+05 2024-05-09 02:40:15,390 INFO [main.py:798]
{rank 0/64} MD step = 450800 step time: 00:00:00.148985 Performance: 66.814 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:40:20,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450800 90160 60.608 -32591 6642.8 -39234 -39234 -0.00030478 -0.00019049 -0.00063813 7.8712e+05 2024-05-09 02:40:37,376 INFO [main.py:798]
{rank 0/64} MD step = 450900 step time: 00:00:00.156491 Performance: 66.816 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:40:44,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450900 90180 60.431 -32499 6623.3 -39123 -39123 0.00045717 -0.0003524 -0.00045717 7.8733e+05 2024-05-09 02:41:00,217 INFO [main.py:798]
{rank 0/64} MD step = 451000 step time: 00:00:00.150014 Performance: 66.818 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:41:08,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451000 90200 59.701 -32651 6543.4 -39194 -39194 0.00026668 -0.00047622 -0.00054289 7.8751e+05 2024-05-09 02:41:24,403 INFO [main.py:798]
{rank 0/64} MD step = 451100 step time: 00:00:00.155271 Performance: 66.819 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:41:29,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451100 90220 60.075 -32483 6584.3 -39068 -39068 -0.00024287 -0.00049527 -0.00045717 7.8768e+05 2024-05-09 02:41:48,019 INFO [main.py:798]
{rank 0/64} MD step = 451200 step time: 00:00:00.149318 Performance: 66.820 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:41:55,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451200 90240 60.755 -32583 6658.8 -39242 -39242 0 -0.00030478 -9.5243e-05 7.8781e+05 2024-05-09 02:42:11,676 INFO [main.py:798]
{rank 0/64} MD step = 451300 step time: 00:00:00.150495 Performance: 66.821 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:42:18,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451300 90260 60.04 -32631 6580.5 -39211 -39211 3.8097e-05 -0.00024287 -0.00069528 7.8801e+05 2024-05-09 02:42:34,459 INFO [main.py:798]
{rank 0/64} MD step = 451400 step time: 00:00:00.143278 Performance: 66.823 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:42:44,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451400 90280 59.638 -32625 6536.4 -39162 -39162 -0.00016906 -0.00041907 -0.00059051 7.882e+05 2024-05-09 02:43:00,258 INFO [main.py:798]
{rank 0/64} MD step = 451500 step time: 00:00:00.141720 Performance: 66.823 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:43:10,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451500 90300 59.982 -32646 6574.1 -39220 -39220 -0.00044764 -0.0004286 -0.00020001 7.8837e+05 2024-05-09 02:43:29,845 INFO [main.py:798]
{rank 0/64} MD step = 451600 step time: 00:00:00.173968 Performance: 66.821 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:43:36,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451600 90320 59.767 -32582 6550.5 -39133 -39133 -0.00016191 -0.00055241 -0.00028573 7.8856e+05 2024-05-09 02:43:52,544 INFO [main.py:798]
{rank 0/64} MD step = 451700 step time: 00:00:00.161088 Performance: 66.823 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:43:59,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451700 90340 60.306 -32500 6609.6 -39110 -39110 -0.00038097 -0.0003524 -0.00048574 7.8875e+05 2024-05-09 02:44:15,206 INFO [main.py:798]
{rank 0/64} MD step = 451800 step time: 00:00:00.150731 Performance: 66.825 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:44:26,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451800 90360 58.917 -32801 6457.4 -39259 -39259 -0.00029525 -0.00038097 -0.00026668 7.8887e+05 2024-05-09 02:44:42,149 INFO [main.py:798]
{rank 0/64} MD step = 451900 step time: 00:00:00.151689 Performance: 66.824 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:44:59,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451900 90380 60.13 -32520 6590.4 -39110 -39110 -0.00032383 -0.00033335 -0.00048574 7.8905e+05 2024-05-09 02:45:15,435 INFO [main.py:798]
{rank 0/64} MD step = 452000 step time: 00:00:00.157725 Performance: 66.820 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:45:22,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452000 90400 60.157 -32521 6593.3 -39114 -39114 -0.00019049 -0.0006667 -0.00015239 7.8925e+05 2024-05-09 02:45:38,665 INFO [main.py:798]
{rank 0/64} MD step = 452100 step time: 00:00:00.160156 Performance: 66.821 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:45:44,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452100 90420 59.833 -32578 6557.7 -39136 -39136 -0.00038097 -0.00024763 -0.00019049 7.8942e+05 2024-05-09 02:46:00,952 INFO [main.py:798]
{rank 0/64} MD step = 452200 step time: 00:00:00.156671 Performance: 66.823 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:46:07,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452200 90440 60.352 -32501 6614.7 -39116 -39116 -0.00015239 -0.00053336 -0.00045717 7.8959e+05 2024-05-09 02:46:23,505 INFO [main.py:798]
{rank 0/64} MD step = 452300 step time: 00:00:00.154015 Performance: 66.825 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:46:31,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452300 90460 60.037 -32702 6580.2 -39282 -39282 -0.00020954 -0.0005667 -0.00054289 7.8973e+05 2024-05-09 02:46:47,616 INFO [main.py:798]
{rank 0/64} MD step = 452400 step time: 00:00:00.155766 Performance: 66.826 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:46:54,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452400 90480 59.823 -32685 6556.7 -39241 -39241 -0.00030478 -0.00063337 -0.00030478 7.8992e+05 2024-05-09 02:47:13,802 INFO [main.py:798]
{rank 0/64} MD step = 452500 step time: 00:00:00.149464 Performance: 66.826 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:47:20,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452500 90500 59.142 -32652 6482.1 -39134 -39134 -0.00041907 -0.00034288 -0.00040002 7.9011e+05 2024-05-09 02:47:37,505 INFO [main.py:798]
{rank 0/64} MD step = 452600 step time: 00:00:00.155573 Performance: 66.827 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:47:43,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452600 90520 60.527 -32453 6633.8 -39087 -39087 0.0003143 -0.00032383 -0.00049527 7.9029e+05 2024-05-09 02:47:59,737 INFO [main.py:798]
{rank 0/64} MD step = 452700 step time: 00:00:00.156862 Performance: 66.829 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 02:48:06,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452700 90540 59.83 -32622 6557.5 -39180 -39180 -0.00037145 6.1908e-05 -0.00041907 7.9048e+05 2024-05-09 02:48:22,017 INFO [main.py:798]
{rank 0/64} MD step = 452800 step time: 00:00:00.157020 Performance: 66.831 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:48:27,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452800 90560 60.754 -32404 6658.7 -39062 -39062 -0.00014763 -0.00022858 -0.00063813 7.9064e+05 2024-05-09 02:48:43,004 INFO [main.py:798]
{rank 0/64} MD step = 452900 step time: 00:00:00.162897 Performance: 66.834 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:48:48,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452900 90580 60.287 -32546 6607.6 -39153 -39153 -0.00013334 -0.00047622 -0.00013334 7.9082e+05 2024-05-09 02:49:04,614 INFO [main.py:798]
{rank 0/64} MD step = 453000 step time: 00:00:00.151424 Performance: 66.837 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:49:11,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453000 90600 60.156 -32620 6593.2 -39213 -39213 -7.6195e-05 -0.00036193 -0.00012382 7.91e+05 2024-05-09 02:49:26,905 INFO [main.py:798]
{rank 0/64} MD step = 453100 step time: 00:00:00.156722 Performance: 66.839 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:49:30,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453100 90620 59.242 -32677 6493 -39170 -39170 0.00020954 -0.00041907 -3.8097e-05 7.9116e+05 2024-05-09 02:49:48,529 INFO [main.py:798]
{rank 0/64} MD step = 453200 step time: 00:00:00.151148 Performance: 66.841 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:49:55,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453200 90640 60.363 -32489 6615.8 -39105 -39105 -0.00020954 -0.00040002 -0.00038097 7.9136e+05 2024-05-09 02:50:11,528 INFO [main.py:798]
{rank 0/64} MD step = 453300 step time: 00:00:00.155052 Performance: 66.843 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:50:18,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453300 90660 60.12 -32662 6589.2 -39252 -39252 -4.7622e-05 -0.00049527 -0.00040955 7.9154e+05 2024-05-09 02:50:34,565 INFO [main.py:798]
{rank 0/64} MD step = 453400 step time: 00:00:00.164195 Performance: 66.844 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:50:42,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453400 90680 59.44 -32613 6514.7 -39128 -39128 0.00011429 -0.00041907 -0.0006667 7.9176e+05 2024-05-09 02:50:58,916 INFO [main.py:798]
{rank 0/64} MD step = 453500 step time: 00:00:00.158732 Performance: 66.845 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:51:05,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453500 90700 59.662 -32647 6539.1 -39186 -39186 -7.6195e-05 -0.00051431 -0.00039526 7.9189e+05 2024-05-09 02:51:21,162 INFO [main.py:798]
{rank 0/64} MD step = 453600 step time: 00:00:00.155162 Performance: 66.847 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 02:51:28,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453600 90720 60.725 -32455 6655.5 -39110 -39110 -0.00047622 -0.00043336 -3.8097e-05 7.9208e+05 2024-05-09 02:51:43,848 INFO [main.py:798]
{rank 0/64} MD step = 453700 step time: 00:00:00.150458 Performance: 66.849 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 02:51:50,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453700 90740 59.147 -32709 6482.5 -39191 -39191 -0.00033335 -0.00053336 0 7.9223e+05 2024-05-09 02:52:06,468 INFO [main.py:798]
{rank 0/64} MD step = 453800 step time: 00:00:00.144911 Performance: 66.851 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 02:52:11,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453800 90760 59.559 -32616 6527.7 -39144 -39144 -0.00011429 -0.00048574 9.5243e-06 7.9245e+05 2024-05-09 02:52:29,025 INFO [main.py:798]
{rank 0/64} MD step = 453900 step time: 00:00:00.143985 Performance: 66.853 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 02:52:37,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453900 90780 60.209 -32658 6599 -39257 -39257 -0.00026668 -0.00051431 7.6195e-05 7.9258e+05 2024-05-09 02:52:53,086 INFO [main.py:798]
{rank 0/64} MD step = 454000 step time: 00:00:00.153339 Performance: 66.854 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 02:52:58,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454000 90800 60.54 -32438 6635.2 -39073 -39073 -0.00027621 -0.00057146 -0.00056194 7.9278e+05 2024-05-09 02:53:17,700 INFO [main.py:798]
{rank 0/64} MD step = 454100 step time: 00:00:00.154273 Performance: 66.855 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 02:53:22,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454100 90820 60.78 -32481 6661.5 -39142 -39142 -0.00049527 -0.00047622 -3.8097e-05 7.929e+05 2024-05-09 02:53:37,984 INFO [main.py:798]
{rank 0/64} MD step = 454200 step time: 00:00:00.158227 Performance: 66.858 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 02:53:43,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454200 90840 60.167 -32610 6594.3 -39204 -39204 0.00024763 -0.00030478 -0.0004286 7.9306e+05 2024-05-09 02:53:58,814 INFO [main.py:798]
{rank 0/64} MD step = 454300 step time: 00:00:00.161561 Performance: 66.861 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 02:54:03,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454300 90860 60.43 -32637 6623.2 -39260 -39260 -0.00024763 -0.00050955 -0.00041907 7.9323e+05 2024-05-09 02:54:19,178 INFO [main.py:798]
{rank 0/64} MD step = 454400 step time: 00:00:00.158477 Performance: 66.864 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 02:54:24,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454400 90880 60.344 -32616 6613.8 -39230 -39230 -0.00034288 -0.00045717 -0.00038097 7.9342e+05 2024-05-09 02:54:41,151 INFO [main.py:798]
{rank 0/64} MD step = 454500 step time: 00:00:00.155802 Performance: 66.866 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:54:46,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454500 90900 59.661 -32760 6538.9 -39299 -39299 -0.00053336 -0.00028573 0.00015239 7.9358e+05 2024-05-09 02:55:02,611 INFO [main.py:798]
{rank 0/64} MD step = 454600 step time: 00:00:00.157262 Performance: 66.868 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:55:08,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454600 90920 59.483 -32588 6519.4 -39107 -39107 -0.00019049 -0.00037145 3.8097e-05 7.9379e+05 2024-05-09 02:55:25,567 INFO [main.py:798]
{rank 0/64} MD step = 454700 step time: 00:00:00.183056 Performance: 66.870 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:55:32,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454700 90940 60.363 -32395 6615.9 -39011 -39011 -0.00019049 -0.00030478 -0.00053336 7.9399e+05 2024-05-09 02:55:48,073 INFO [main.py:798]
{rank 0/64} MD step = 454800 step time: 00:00:00.161211 Performance: 66.872 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:55:56,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454800 90960 60.21 -32535 6599 -39134 -39134 -0.00034288 -0.00042383 -0.0004286 7.9416e+05 2024-05-09 02:56:11,942 INFO [main.py:798]
{rank 0/64} MD step = 454900 step time: 00:00:00.159378 Performance: 66.873 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:56:23,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454900 90980 60.277 -32601 6606.4 -39208 -39208 -0.00037145 -0.00048098 -0.00077147 7.9432e+05 2024-05-09 02:56:38,851 INFO [main.py:798]
{rank 0/64} MD step = 455000 step time: 00:00:00.145531 Performance: 66.872 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:56:43,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455000 91000 60.556 -32597 6637 -39234 -39234 0.00013334 -0.00040002 -0.00072861 7.9444e+05 2024-05-09 02:57:01,340 INFO [main.py:798]
{rank 0/64} MD step = 455100 step time: 00:00:00.150871 Performance: 66.874 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:57:08,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455100 91020 59.491 -32624 6520.3 -39145 -39145 -0.00040002 -0.00034288 -0.00013334 7.9464e+05 2024-05-09 02:57:23,942 INFO [main.py:798]
{rank 0/64} MD step = 455200 step time: 00:00:00.154337 Performance: 66.876 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:57:30,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455200 91040 60.291 -32683 6608 -39290 -39290 -0.00025716 -0.00028573 -0.00060956 7.948e+05 2024-05-09 02:57:46,751 INFO [main.py:798]
{rank 0/64} MD step = 455300 step time: 00:00:00.147405 Performance: 66.878 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:57:59,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455300 91060 60.62 -32655 6644.1 -39299 -39299 -0.00032859 -0.00064766 -0.00044764 7.9496e+05 2024-05-09 02:58:15,165 INFO [main.py:798]
{rank 0/64} MD step = 455400 step time: 00:00:00.157636 Performance: 66.876 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:58:22,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455400 91080 60.153 -32659 6592.8 -39252 -39252 -0.00027621 -0.00057146 -6.667e-05 7.9515e+05 2024-05-09 02:58:38,045 INFO [main.py:798]
{rank 0/64} MD step = 455500 step time: 00:00:00.156008 Performance: 66.878 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:58:45,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455500 91100 59.983 -32661 6574.2 -39236 -39236 -0.0003524 -0.0003905 0.00011429 7.9533e+05 2024-05-09 02:59:01,053 INFO [main.py:798]
{rank 0/64} MD step = 455600 step time: 00:00:00.159915 Performance: 66.880 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:59:11,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455600 91120 60.175 -32570 6595.3 -39165 -39165 -0.0003143 -0.00016191 -0.00040002 7.9551e+05 2024-05-09 02:59:27,995 INFO [main.py:798]
{rank 0/64} MD step = 455700 step time: 00:00:00.156124 Performance: 66.879 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:59:35,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455700 91140 60.004 -32543 6576.5 -39120 -39120 -0.00034288 -0.00060956 -0.00060956 7.9567e+05 2024-05-09 02:59:51,627 INFO [main.py:798]
{rank 0/64} MD step = 455800 step time: 00:00:00.160232 Performance: 66.880 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 02:59:58,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455800 91160 59.764 -32640 6550.2 -39191 -39191 -7.6195e-05 -0.00029525 -0.00061908 7.9587e+05 2024-05-09 03:00:14,197 INFO [main.py:798]
{rank 0/64} MD step = 455900 step time: 00:00:00.161529 Performance: 66.882 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:00:21,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455900 91180 60.138 -32588 6591.2 -39179 -39179 -0.00051431 -0.00049527 -0.00038097 7.9605e+05 2024-05-09 03:00:37,204 INFO [main.py:798]
{rank 0/64} MD step = 456000 step time: 00:00:00.158026 Performance: 66.884 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:00:43,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456000 91200 59.625 -32478 6535 -39013 -39013 -0.0003143 -0.00040002 -0.00062384 7.9623e+05 2024-05-09 03:00:59,112 INFO [main.py:798]
{rank 0/64} MD step = 456100 step time: 00:00:00.166939 Performance: 66.886 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:01:05,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456100 91220 60.049 -32381 6581.5 -38962 -38962 -0.00041907 -0.00022858 3.8097e-05 7.9638e+05 2024-05-09 03:01:21,211 INFO [main.py:798]
{rank 0/64} MD step = 456200 step time: 00:00:00.169111 Performance: 66.888 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:01:28,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456200 91240 59.009 -32710 6467.5 -39177 -39177 -0.00032383 -0.00041907 -0.00058099 7.9655e+05 2024-05-09 03:01:44,070 INFO [main.py:798]
{rank 0/64} MD step = 456300 step time: 00:00:00.157480 Performance: 66.890 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:01:50,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456300 91260 59.006 -32660 6467.1 -39127 -39127 -0.00031907 -0.00020954 -0.00072623 7.9672e+05 2024-05-09 03:02:08,283 INFO [main.py:798]
{rank 0/64} MD step = 456400 step time: 00:00:00.155786 Performance: 66.891 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:02:13,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456400 91280 60.163 -32549 6594 -39143 -39143 -0.00045717 -0.00072385 -0.00043812 7.9691e+05 2024-05-09 03:02:29,298 INFO [main.py:798]
{rank 0/64} MD step = 456500 step time: 00:00:00.154667 Performance: 66.893 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:02:35,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456500 91300 60.551 -32302 6636.4 -38939 -38939 -0.0003905 -0.00026668 -0.00033335 7.9708e+05 2024-05-09 03:02:51,553 INFO [main.py:798]
{rank 0/64} MD step = 456600 step time: 00:00:00.156446 Performance: 66.896 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:02:57,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456600 91320 60.383 -32524 6618.1 -39142 -39142 1.9049e-05 -0.00045717 -0.00038097 7.9724e+05 2024-05-09 03:03:14,129 INFO [main.py:798]
{rank 0/64} MD step = 456700 step time: 00:00:00.159177 Performance: 66.897 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:03:19,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456700 91340 60.248 -32524 6603.3 -39127 -39127 -0.00026668 -0.00049527 -9.5243e-05 7.974e+05 2024-05-09 03:03:36,163 INFO [main.py:798]
{rank 0/64} MD step = 456800 step time: 00:00:00.155781 Performance: 66.900 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:03:42,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456800 91360 59.771 -32587 6551 -39138 -39138 -0.00030478 -0.00028573 -0.00059051 7.9756e+05 2024-05-09 03:03:57,911 INFO [main.py:798]
{rank 0/64} MD step = 456900 step time: 00:00:00.160061 Performance: 66.902 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:04:13,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456900 91380 59.593 -32790 6531.5 -39322 -39322 -0.00030478 -0.00011429 -0.00049527 7.9769e+05 2024-05-09 03:04:30,771 INFO [main.py:798]
{rank 0/64} MD step = 457000 step time: 00:00:00.164700 Performance: 66.898 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:04:38,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457000 91400 59.147 -32668 6482.6 -39150 -39150 -0.0003524 -0.00035716 -0.0006667 7.9789e+05 2024-05-09 03:04:55,927 INFO [main.py:798]
{rank 0/64} MD step = 457100 step time: 00:00:00.152537 Performance: 66.898 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:05:12,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457100 91420 58.264 -32775 6385.8 -39161 -39161 -0.00030478 -0.00049527 -0.00058099 7.9808e+05 2024-05-09 03:05:28,482 INFO [main.py:798]
{rank 0/64} MD step = 457200 step time: 00:00:00.163461 Performance: 66.894 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:05:34,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457200 91440 59.569 -32756 6528.8 -39285 -39285 -0.00040002 -0.00030478 -0.0007429 7.9824e+05 2024-05-09 03:05:50,806 INFO [main.py:798]
{rank 0/64} MD step = 457300 step time: 00:00:00.151733 Performance: 66.896 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:05:56,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457300 91460 59.233 -32544 6492 -39036 -39036 -0.00038097 -0.00036193 -0.00059051 7.9843e+05 2024-05-09 03:06:12,427 INFO [main.py:798]
{rank 0/64} MD step = 457400 step time: 00:00:00.155386 Performance: 66.899 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:06:18,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457400 91480 59.288 -32646 6498.1 -39144 -39144 -0.00010001 -0.00043812 -0.00051431 7.9858e+05 2024-05-09 03:06:34,965 INFO [main.py:798]
{rank 0/64} MD step = 457500 step time: 00:00:00.165897 Performance: 66.901 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:06:47,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457500 91500 60.339 -32487 6613.2 -39100 -39100 -0.00020954 -0.00034288 -0.0006667 7.9876e+05 2024-05-09 03:07:02,917 INFO [main.py:798]
{rank 0/64} MD step = 457600 step time: 00:00:00.156210 Performance: 66.899 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:07:10,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457600 91520 59.933 -32461 6568.8 -39030 -39030 -0.00013334 -0.00045717 -0.00034288 7.9893e+05 2024-05-09 03:07:26,488 INFO [main.py:798]
{rank 0/64} MD step = 457700 step time: 00:00:00.145788 Performance: 66.901 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:07:33,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457700 91540 60.723 -32566 6655.3 -39221 -39221 -0.00011429 -0.00053336 -0.00060003 7.9909e+05 2024-05-09 03:07:48,470 INFO [main.py:798]
{rank 0/64} MD step = 457800 step time: 00:00:00.136234 Performance: 66.903 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:07:59,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457800 91560 60.474 -32484 6628.1 -39113 -39113 0.00011429 -0.00030478 -0.00022858 7.993e+05 2024-05-09 03:08:15,837 INFO [main.py:798]
{rank 0/64} MD step = 457900 step time: 00:00:00.157994 Performance: 66.902 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:08:21,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457900 91580 60.327 -32625 6611.9 -39237 -39237 1.9049e-05 -0.00045717 -0.00049527 7.9943e+05 2024-05-09 03:08:40,048 INFO [main.py:798]
{rank 0/64} MD step = 458000 step time: 00:00:00.151759 Performance: 66.903 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:08:45,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458000 91600 60.317 -32502 6610.8 -39113 -39113 0.00049527 -0.00030478 -0.00062861 7.9964e+05 2024-05-09 03:09:01,578 INFO [main.py:798]
{rank 0/64} MD step = 458100 step time: 00:00:00.144661 Performance: 66.905 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:09:07,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458100 91620 59.517 -32547 6523.1 -39070 -39070 -0.00015239 -0.00036193 -0.0007429 7.998e+05 2024-05-09 03:09:23,112 INFO [main.py:798]
{rank 0/64} MD step = 458200 step time: 00:00:00.155616 Performance: 66.908 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:09:29,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458200 91640 59.909 -32447 6566.1 -39014 -39014 -0.00019049 -0.00045717 -0.00045717 8.0002e+05 2024-05-09 03:09:45,518 INFO [main.py:798]
{rank 0/64} MD step = 458300 step time: 00:00:00.180907 Performance: 66.910 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:09:50,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458300 91660 60.26 -32445 6604.6 -39050 -39050 1.9049e-05 -0.00043812 -0.00071433 8.0019e+05 2024-05-09 03:10:07,202 INFO [main.py:798]
{rank 0/64} MD step = 458400 step time: 00:00:00.146871 Performance: 66.912 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:10:16,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458400 91680 60.282 -32524 6607 -39131 -39131 -0.00023811 -0.00045717 -0.00017144 8.0036e+05 2024-05-09 03:10:41,852 INFO [main.py:798]
{rank 0/64} MD step = 458500 step time: 00:00:00.159029 Performance: 66.907 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:10:47,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458500 91700 59.526 -32755 6524.2 -39279 -39279 -0.00016191 -0.00026668 -0.00057146 8.0054e+05 2024-05-09 03:11:03,456 INFO [main.py:798]
{rank 0/64} MD step = 458600 step time: 00:00:00.162103 Performance: 66.909 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:11:17,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458600 91720 60.233 -32662 6601.6 -39264 -39264 -0.00044764 -0.00045241 -0.00069528 8.007e+05 2024-05-09 03:11:33,689 INFO [main.py:798]
{rank 0/64} MD step = 458700 step time: 00:00:00.152192 Performance: 66.907 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:11:39,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458700 91740 59.379 -32556 6508 -39064 -39064 -0.00053336 -0.00030478 -0.00034288 8.0092e+05 2024-05-09 03:11:55,387 INFO [main.py:798]
{rank 0/64} MD step = 458800 step time: 00:00:00.158022 Performance: 66.909 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:12:03,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458800 91760 60.056 -32563 6582.2 -39145 -39145 -0.00038097 -0.00043812 -0.00030478 8.0109e+05 2024-05-09 03:12:19,142 INFO [main.py:798]
{rank 0/64} MD step = 458900 step time: 00:00:00.156598 Performance: 66.910 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:12:26,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458900 91780 59.677 -32592 6540.6 -39132 -39132 -0.00032859 -0.00043812 -0.00060956 8.0125e+05 2024-05-09 03:12:42,944 INFO [main.py:798]
{rank 0/64} MD step = 459000 step time: 00:00:00.149899 Performance: 66.912 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:12:49,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459000 91800 60.164 -32588 6594.1 -39182 -39182 0.00012382 -0.00040002 -0.00047622 8.0141e+05 2024-05-09 03:13:05,888 INFO [main.py:798]
{rank 0/64} MD step = 459100 step time: 00:00:00.141291 Performance: 66.913 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:13:14,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459100 91820 58.834 -32770 6448.3 -39218 -39218 0 -0.00020001 -0.0004286 8.0156e+05 2024-05-09 03:13:30,020 INFO [main.py:798]
{rank 0/64} MD step = 459200 step time: 00:00:00.155588 Performance: 66.914 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:13:37,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459200 91840 59.812 -32589 6555.5 -39145 -39145 -6.667e-05 -0.00027621 -0.00041907 8.0175e+05 2024-05-09 03:13:54,292 INFO [main.py:798]
{rank 0/64} MD step = 459300 step time: 00:00:00.147230 Performance: 66.915 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:14:03,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459300 91860 59.899 -32601 6565 -39166 -39166 -0.0003143 -0.00050479 -0.00051431 8.0194e+05 2024-05-09 03:14:18,254 INFO [main.py:798]
{rank 0/64} MD step = 459400 step time: 00:00:00.153415 Performance: 66.916 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:14:26,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459400 91880 59.46 -32663 6516.9 -39180 -39180 -0.00011429 -0.00043812 -0.00050479 8.0212e+05 2024-05-09 03:14:45,429 INFO [main.py:798]
{rank 0/64} MD step = 459500 step time: 00:00:00.144151 Performance: 66.915 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:14:51,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459500 91900 59.623 -32533 6534.8 -39068 -39068 -0.00045717 -0.00037145 -0.00053336 8.0232e+05 2024-05-09 03:15:07,831 INFO [main.py:798]
{rank 0/64} MD step = 459600 step time: 00:00:00.142991 Performance: 66.917 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:15:14,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459600 91920 60.349 -32552 6614.3 -39166 -39166 -0.00029525 -0.000781 -9.5243e-05 8.0253e+05 2024-05-09 03:15:34,264 INFO [main.py:798]
{rank 0/64} MD step = 459700 step time: 00:00:00.154395 Performance: 66.917 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:15:40,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459700 91940 60.146 -32679 6592.1 -39271 -39271 -0.00036193 -0.00028573 -0.00013334 8.0267e+05 2024-05-09 03:15:56,444 INFO [main.py:798]
{rank 0/64} MD step = 459800 step time: 00:00:00.148932 Performance: 66.919 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:16:05,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459800 91960 60.144 -32640 6591.9 -39232 -39232 -0.00033335 -0.00049527 -0.00047622 8.0291e+05 2024-05-09 03:16:21,617 INFO [main.py:798]
{rank 0/64} MD step = 459900 step time: 00:00:00.155620 Performance: 66.919 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:16:28,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459900 91980 60.873 -32582 6671.7 -39254 -39254 -0.00029525 -0.00026668 -0.00060956 8.0309e+05 2024-05-09 03:16:44,002 INFO [main.py:798]
{rank 0/64} MD step = 460000 step time: 00:00:00.150252 Performance: 66.921 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:16:50,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460000 92000 60.013 -32501 6577.5 -39078 -39078 -0.00041907 -0.00024763 -0.00011429 8.0328e+05 2024-05-09 03:17:06,743 INFO [main.py:798]
{rank 0/64} MD step = 460100 step time: 00:00:00.145179 Performance: 66.923 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:17:16,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460100 92020 60.742 -32418 6657.4 -39075 -39075 -0.00034288 -0.00041431 -0.00013334 8.0347e+05 2024-05-09 03:17:32,723 INFO [main.py:798]
{rank 0/64} MD step = 460200 step time: 00:00:00.151051 Performance: 66.923 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:17:40,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460200 92040 59.49 -32679 6520.2 -39199 -39199 -0.00047146 -0.00038097 7.6195e-05 8.0364e+05 2024-05-09 03:17:55,978 INFO [main.py:798]
{rank 0/64} MD step = 460300 step time: 00:00:00.149285 Performance: 66.924 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:18:01,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460300 92060 60.601 -32577 6642 -39219 -39219 -0.00045717 -0.00028573 -9.5243e-05 8.0382e+05 2024-05-09 03:18:17,797 INFO [main.py:798]
{rank 0/64} MD step = 460400 step time: 00:00:00.154804 Performance: 66.927 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:18:27,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460400 92080 59.813 -32650 6555.6 -39206 -39206 3.8097e-05 -0.00031907 -9.5243e-05 8.0396e+05 2024-05-09 03:18:42,576 INFO [main.py:798]
{rank 0/64} MD step = 460500 step time: 00:00:00.151880 Performance: 66.927 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:18:50,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460500 92100 60.308 -32595 6609.8 -39205 -39205 -0.00013334 -0.00030478 -0.00011429 8.0415e+05 2024-05-09 03:19:05,440 INFO [main.py:798]
{rank 0/64} MD step = 460600 step time: 00:00:00.158462 Performance: 66.929 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:19:12,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460600 92120 60.328 -32608 6612 -39220 -39220 -0.00036193 -0.00026668 -0.00032383 8.0435e+05 2024-05-09 03:19:28,131 INFO [main.py:798]
{rank 0/64} MD step = 460700 step time: 00:00:00.164898 Performance: 66.931 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:19:34,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460700 92140 60.441 -32653 6624.4 -39278 -39278 -0.00019049 -0.00040002 -0.00049527 8.0453e+05 2024-05-09 03:19:50,480 INFO [main.py:798]
{rank 0/64} MD step = 460800 step time: 00:00:00.164064 Performance: 66.933 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:19:57,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460800 92160 59.74 -32573 6547.6 -39121 -39121 -0.00023811 -0.00046669 -0.00047622 8.047e+05 2024-05-09 03:20:13,370 INFO [main.py:798]
{rank 0/64} MD step = 460900 step time: 00:00:00.148940 Performance: 66.934 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:20:19,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460900 92180 59.974 -32595 6573.2 -39168 -39168 -0.00049527 -0.00055241 4.7622e-05 8.049e+05 2024-05-09 03:20:35,276 INFO [main.py:798]
{rank 0/64} MD step = 461000 step time: 00:00:00.150226 Performance: 66.936 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:20:41,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461000 92200 59.682 -32689 6541.3 -39230 -39230 -0.00034288 -0.00040002 -0.00019049 8.0504e+05 2024-05-09 03:20:56,968 INFO [main.py:798]
{rank 0/64} MD step = 461100 step time: 00:00:00.154004 Performance: 66.939 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:21:02,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461100 92220 59.681 -32711 6541.1 -39252 -39252 -0.00040002 -0.00032383 -0.00043812 8.0522e+05 2024-05-09 03:21:18,795 INFO [main.py:798]
{rank 0/64} MD step = 461200 step time: 00:00:00.149991 Performance: 66.941 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:21:25,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461200 92240 59.185 -32715 6486.7 -39201 -39201 -0.00032383 -0.00023811 -0.00049527 8.0538e+05 2024-05-09 03:21:40,731 INFO [main.py:798]
{rank 0/64} MD step = 461300 step time: 00:00:00.153938 Performance: 66.943 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:21:49,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461300 92260 60.262 -32508 6604.8 -39113 -39113 -0.00030478 -0.00057146 -0.00030002 8.0555e+05 2024-05-09 03:22:04,631 INFO [main.py:798]
{rank 0/64} MD step = 461400 step time: 00:00:00.157254 Performance: 66.944 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:22:10,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461400 92280 60.811 -32504 6664.9 -39169 -39169 -0.00038097 -0.00072385 -0.00049527 8.0575e+05 2024-05-09 03:22:25,597 INFO [main.py:798]
{rank 0/64} MD step = 461500 step time: 00:00:00.184584 Performance: 66.947 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-09 03:22:31,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461500 92300 60.62 -32620 6644 -39264 -39264 -0.00016549 -0.00020954 -0.00049527 8.0592e+05 2024-05-09 03:22:47,771 INFO [main.py:798]
{rank 0/64} MD step = 461600 step time: 00:00:00.155288 Performance: 66.949 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-09 03:22:54,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461600 92320 60.365 -32632 6616 -39248 -39248 -0.00038097 -0.00047622 -0.00024763 8.0608e+05 2024-05-09 03:23:11,596 INFO [main.py:798]
{rank 0/64} MD step = 461700 step time: 00:00:00.166482 Performance: 66.950 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-09 03:23:19,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461700 92340 60.223 -32534 6600.5 -39134 -39134 -0.00046669 -0.00029525 -0.00059051 8.0625e+05 2024-05-09 03:23:34,974 INFO [main.py:798]
{rank 0/64} MD step = 461800 step time: 00:00:00.167450 Performance: 66.952 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:23:41,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461800 92360 60.413 -32474 6621.3 -39095 -39095 -0.00027621 -0.00042621 -0.00054289 8.0643e+05 2024-05-09 03:23:57,214 INFO [main.py:798]
{rank 0/64} MD step = 461900 step time: 00:00:00.162777 Performance: 66.954 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:24:03,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461900 92380 60.191 -32548 6597 -39145 -39145 -0.00037145 -0.00053336 -0.00053336 8.0659e+05 2024-05-09 03:24:18,890 INFO [main.py:798]
{rank 0/64} MD step = 462000 step time: 00:00:00.173554 Performance: 66.956 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:24:24,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462000 92400 60.298 -32565 6608.7 -39174 -39174 -0.00044764 -0.00043812 -0.00048574 8.0675e+05 2024-05-09 03:24:40,432 INFO [main.py:798]
{rank 0/64} MD step = 462100 step time: 00:00:00.162171 Performance: 66.958 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:24:44,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462100 92420 60.702 -32576 6653 -39230 -39230 -0.00028573 -0.0003524 -0.00049527 8.0694e+05 2024-05-09 03:25:01,243 INFO [main.py:798]
{rank 0/64} MD step = 462200 step time: 00:00:00.153744 Performance: 66.961 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:25:06,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462200 92440 59.671 -32602 6540 -39142 -39142 -0.00036193 -0.00060956 -3.8097e-05 8.0712e+05 2024-05-09 03:25:22,566 INFO [main.py:798]
{rank 0/64} MD step = 462300 step time: 00:00:00.170255 Performance: 66.964 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:25:29,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462300 92460 59.924 -32581 6567.8 -39149 -39149 -0.00032383 -0.0003524 0.00011429 8.0729e+05 2024-05-09 03:25:45,498 INFO [main.py:798]
{rank 0/64} MD step = 462400 step time: 00:00:00.182925 Performance: 66.965 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:25:50,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462400 92480 59.555 -32538 6527.3 -39065 -39065 0.00011429 -0.00045717 -0.00026668 8.0748e+05 2024-05-09 03:26:06,535 INFO [main.py:798]
{rank 0/64} MD step = 462500 step time: 00:00:00.169908 Performance: 66.968 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:26:11,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462500 92500 60.395 -32527 6619.3 -39147 -39147 -0.00041431 -0.00038574 -5.7146e-05 8.0763e+05 2024-05-09 03:26:26,692 INFO [main.py:798]
{rank 0/64} MD step = 462600 step time: 00:00:00.156378 Performance: 66.971 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:26:32,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462600 92520 59.848 -32640 6559.5 -39199 -39199 -1.9049e-05 -0.00047146 0 8.078e+05 2024-05-09 03:26:48,327 INFO [main.py:798]
{rank 0/64} MD step = 462700 step time: 00:00:00.151253 Performance: 66.973 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:26:54,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462700 92540 60.145 -32601 6591.9 -39193 -39193 -0.00025716 -0.00048574 -0.0007429 8.0797e+05 2024-05-09 03:27:10,566 INFO [main.py:798]
{rank 0/64} MD step = 462800 step time: 00:00:00.158228 Performance: 66.975 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:27:18,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462800 92560 59.924 -32491 6567.7 -39058 -39058 -0.00036193 -0.00045717 -0.00038574 8.0814e+05 2024-05-09 03:27:34,113 INFO [main.py:798]
{rank 0/64} MD step = 462900 step time: 00:00:00.150065 Performance: 66.977 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:27:43,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462900 92580 59.453 -32795 6516.1 -39311 -39311 -0.0003524 -0.00047622 -9.5243e-05 8.0828e+05 2024-05-09 03:27:59,753 INFO [main.py:798]
{rank 0/64} MD step = 463000 step time: 00:00:00.147021 Performance: 66.977 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:28:08,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463000 92600 61.222 -32512 6710 -39222 -39222 -0.00023811 -0.00034288 7.6195e-05 8.0847e+05 2024-05-09 03:28:24,392 INFO [main.py:798]
{rank 0/64} MD step = 463100 step time: 00:00:00.147905 Performance: 66.977 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:28:29,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463100 92620 59.681 -32649 6541.1 -39190 -39190 -0.00030478 -0.00047622 -0.00015239 8.0867e+05 2024-05-09 03:28:45,434 INFO [main.py:798]
{rank 0/64} MD step = 463200 step time: 00:00:00.157304 Performance: 66.980 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:28:54,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463200 92640 60.754 -32500 6658.7 -39159 -39159 -0.00040002 -0.00047146 -0.00034288 8.0885e+05 2024-05-09 03:29:10,751 INFO [main.py:798]
{rank 0/64} MD step = 463300 step time: 00:00:00.146154 Performance: 66.980 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:29:17,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463300 92660 60.803 -32585 6664.1 -39249 -39249 -0.00022858 -0.00045717 -0.00057146 8.0902e+05 2024-05-09 03:29:33,160 INFO [main.py:798]
{rank 0/64} MD step = 463400 step time: 00:00:00.143344 Performance: 66.982 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:29:37,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463400 92680 60.401 -32480 6620 -39100 -39100 -0.00019525 -0.00037145 -0.00068575 8.0922e+05 2024-05-09 03:29:55,725 INFO [main.py:798]
{rank 0/64} MD step = 463500 step time: 00:00:00.157208 Performance: 66.984 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:30:02,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463500 92700 59.708 -32618 6544 -39162 -39162 -0.00034764 -0.00038097 -0.00038097 8.094e+05 2024-05-09 03:30:17,779 INFO [main.py:798]
{rank 0/64} MD step = 463600 step time: 00:00:00.146660 Performance: 66.986 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:30:23,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463600 92720 60.511 -32503 6632.1 -39135 -39135 -0.00041907 -0.00065718 -0.00034288 8.0958e+05 2024-05-09 03:30:39,648 INFO [main.py:798]
{rank 0/64} MD step = 463700 step time: 00:00:00.144414 Performance: 66.988 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:30:45,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463700 92740 60.301 -32611 6609.1 -39220 -39220 -0.0003905 -0.00030478 -0.00016191 8.0975e+05 2024-05-09 03:31:00,912 INFO [main.py:798]
{rank 0/64} MD step = 463800 step time: 00:00:00.154998 Performance: 66.991 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:31:07,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463800 92760 59.345 -32581 6504.3 -39086 -39086 -0.00034288 -0.00047622 -0.00048574 8.0996e+05 2024-05-09 03:31:22,177 INFO [main.py:798]
{rank 0/64} MD step = 463900 step time: 00:00:00.139003 Performance: 66.993 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:31:28,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463900 92780 59.743 -32621 6547.9 -39169 -39169 -0.00026668 -0.00040002 -0.00048574 8.101e+05 2024-05-09 03:31:45,189 INFO [main.py:798]
{rank 0/64} MD step = 464000 step time: 00:00:00.144792 Performance: 66.995 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:31:51,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464000 92800 60.248 -32588 6603.3 -39191 -39191 -0.00047146 -0.00012382 -7.6195e-05 8.1029e+05 2024-05-09 03:32:08,055 INFO [main.py:798]
{rank 0/64} MD step = 464100 step time: 00:00:00.147310 Performance: 66.997 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:32:13,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464100 92820 59.191 -32666 6487.4 -39153 -39153 0.00026668 -0.00046669 -0.00040002 8.1047e+05 2024-05-09 03:32:30,100 INFO [main.py:798]
{rank 0/64} MD step = 464200 step time: 00:00:00.153591 Performance: 66.999 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:32:36,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464200 92840 60.931 -32580 6678.2 -39258 -39258 -0.00030478 -0.00034288 -0.00064766 8.1065e+05 2024-05-09 03:32:55,955 INFO [main.py:798]
{rank 0/64} MD step = 464300 step time: 00:00:00.150966 Performance: 66.999 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:33:02,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464300 92860 60.05 -32628 6581.5 -39210 -39210 -0.0003905 -0.00029525 -0.00069528 8.1083e+05 2024-05-09 03:33:19,321 INFO [main.py:798]
{rank 0/64} MD step = 464400 step time: 00:00:00.151937 Performance: 67.000 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:33:25,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464400 92880 59.944 -32594 6569.9 -39164 -39164 -0.00033811 -0.00049527 -0.00059527 8.1099e+05 2024-05-09 03:33:41,755 INFO [main.py:798]
{rank 0/64} MD step = 464500 step time: 00:00:00.153690 Performance: 67.002 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:33:48,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464500 92900 59.965 -32635 6572.2 -39207 -39207 -0.00045717 -0.00055241 -0.00049527 8.1117e+05 2024-05-09 03:34:04,145 INFO [main.py:798]
{rank 0/64} MD step = 464600 step time: 00:00:00.157300 Performance: 67.004 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:34:10,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464600 92920 59.907 -32588 6565.9 -39154 -39154 -0.00034288 -0.00053336 -3.8097e-05 8.1132e+05 2024-05-09 03:34:27,869 INFO [main.py:798]
{rank 0/64} MD step = 464700 step time: 00:00:00.164347 Performance: 67.005 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:34:34,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464700 92940 59.313 -32536 6500.7 -39037 -39037 -0.00020954 -0.00049527 2.8573e-05 8.1152e+05 2024-05-09 03:34:50,495 INFO [main.py:798]
{rank 0/64} MD step = 464800 step time: 00:00:00.156220 Performance: 67.007 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:34:56,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464800 92960 59.836 -32641 6558.1 -39199 -39199 -0.0003905 -0.00025716 -0.00043812 8.1167e+05 2024-05-09 03:35:12,852 INFO [main.py:798]
{rank 0/64} MD step = 464900 step time: 00:00:00.162496 Performance: 67.009 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:35:16,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464900 92980 59.971 -32569 6572.9 -39142 -39142 -0.00026668 -0.00036193 -0.00057146 8.1186e+05 2024-05-09 03:35:33,872 INFO [main.py:798]
{rank 0/64} MD step = 465000 step time: 00:00:00.162152 Performance: 67.011 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:35:39,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465000 93000 60.179 -32486 6595.7 -39082 -39082 -0.00027621 -0.00051431 -0.00011429 8.1203e+05 2024-05-09 03:35:55,507 INFO [main.py:798]
{rank 0/64} MD step = 465100 step time: 00:00:00.183231 Performance: 67.014 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:36:00,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465100 93020 60.11 -32639 6588.1 -39227 -39227 -0.00029525 -0.00060956 0.00011429 8.1217e+05 2024-05-09 03:36:16,803 INFO [main.py:798]
{rank 0/64} MD step = 465200 step time: 00:00:00.153722 Performance: 67.016 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:36:22,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465200 93040 60.413 -32397 6621.3 -39018 -39018 0.00029525 -0.0006667 -0.00080005 8.1238e+05 2024-05-09 03:36:38,599 INFO [main.py:798]
{rank 0/64} MD step = 465300 step time: 00:00:00.156410 Performance: 67.018 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:36:45,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465300 93060 60.393 -32535 6619.1 -39154 -39154 -0.00033335 -0.00026668 -0.00022858 8.1253e+05 2024-05-09 03:37:00,582 INFO [main.py:798]
{rank 0/64} MD step = 465400 step time: 00:00:00.162888 Performance: 67.020 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:37:07,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465400 93080 59.074 -32719 6474.6 -39194 -39194 -0.00040002 -0.00047622 -0.00038097 8.1267e+05 2024-05-09 03:37:25,837 INFO [main.py:798]
{rank 0/64} MD step = 465500 step time: 00:00:00.148557 Performance: 67.021 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:37:32,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465500 93100 60.269 -32389 6605.6 -38995 -38995 -0.00019049 -0.00024763 -0.00026668 8.129e+05 2024-05-09 03:37:48,293 INFO [main.py:798]
{rank 0/64} MD step = 465600 step time: 00:00:00.152319 Performance: 67.023 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:37:55,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465600 93120 59.514 -32619 6522.8 -39142 -39142 -0.00032859 -0.00036669 -0.00040955 8.1304e+05 2024-05-09 03:38:11,424 INFO [main.py:798]
{rank 0/64} MD step = 465700 step time: 00:00:00.169846 Performance: 67.024 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:38:21,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465700 93140 59.992 -32725 6575.2 -39300 -39300 -0.00045717 -0.00062861 -0.00057146 8.1318e+05 2024-05-09 03:38:37,744 INFO [main.py:798]
{rank 0/64} MD step = 465800 step time: 00:00:00.165811 Performance: 67.024 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:38:47,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465800 93160 59.912 -32555 6566.4 -39122 -39122 -8.0957e-05 -0.0004905 -0.00026668 8.1339e+05 2024-05-09 03:39:03,321 INFO [main.py:798]
{rank 0/64} MD step = 465900 step time: 00:00:00.158636 Performance: 67.024 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:39:11,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465900 93180 60.408 -32633 6620.8 -39254 -39254 -0.00026668 -0.00021906 -0.00073337 8.1353e+05 2024-05-09 03:39:28,011 INFO [main.py:798]
{rank 0/64} MD step = 466000 step time: 00:00:00.160289 Performance: 67.025 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:39:32,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466000 93200 60.163 -32555 6593.9 -39148 -39148 -5.7146e-05 -0.00034288 -0.00038574 8.1372e+05 2024-05-09 03:39:50,508 INFO [main.py:798]
{rank 0/64} MD step = 466100 step time: 00:00:00.159426 Performance: 67.026 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:39:56,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466100 93220 59.504 -32622 6521.7 -39143 -39143 -0.00053336 -0.00041907 -0.00062861 8.1391e+05 2024-05-09 03:40:12,174 INFO [main.py:798]
{rank 0/64} MD step = 466200 step time: 00:00:00.148645 Performance: 67.029 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:40:19,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466200 93240 59.655 -32572 6538.3 -39110 -39110 -0.00045717 -0.00036193 -0.00057146 8.141e+05 2024-05-09 03:40:35,571 INFO [main.py:798]
{rank 0/64} MD step = 466300 step time: 00:00:00.180143 Performance: 67.030 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:40:41,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466300 93260 60.293 -32512 6608.2 -39120 -39120 -0.00011429 -0.00037145 -2.8573e-05 8.1424e+05 2024-05-09 03:40:57,762 INFO [main.py:798]
{rank 0/64} MD step = 466400 step time: 00:00:00.158963 Performance: 67.032 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:41:03,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466400 93280 59.413 -32683 6511.8 -39194 -39194 -0.00037145 -0.00034764 -0.00068575 8.144e+05 2024-05-09 03:41:19,149 INFO [main.py:798]
{rank 0/64} MD step = 466500 step time: 00:00:00.162775 Performance: 67.034 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:41:28,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466500 93300 60.148 -32535 6592.3 -39127 -39127 0.00017144 -0.00040002 -0.00077147 8.146e+05 2024-05-09 03:41:44,486 INFO [main.py:798]
{rank 0/64} MD step = 466600 step time: 00:00:00.168605 Performance: 67.035 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:41:50,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466600 93320 60.394 -32512 6619.3 -39131 -39131 0.0003524 -0.00030478 -0.00064766 8.1479e+05 2024-05-09 03:42:08,712 INFO [main.py:798]
{rank 0/64} MD step = 466700 step time: 00:00:00.157054 Performance: 67.036 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 03:42:14,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466700 93340 60.43 -32427 6623.3 -39050 -39050 -0.00032383 -0.00045717 -0.00043812 8.1497e+05 2024-05-09 03:42:30,150 INFO [main.py:798]
{rank 0/64} MD step = 466800 step time: 00:00:00.151700 Performance: 67.038 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:42:37,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466800 93360 60.478 -32545 6628.5 -39173 -39173 0.00013334 -0.00031907 -0.00011429 8.1514e+05 2024-05-09 03:42:53,785 INFO [main.py:798]
{rank 0/64} MD step = 466900 step time: 00:00:00.161889 Performance: 67.039 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:43:00,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466900 93380 60.384 -32631 6618.2 -39249 -39249 -0.00030478 -0.00045717 -0.00034288 8.1527e+05 2024-05-09 03:43:16,055 INFO [main.py:798]
{rank 0/64} MD step = 467000 step time: 00:00:00.156520 Performance: 67.041 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:43:23,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467000 93400 59.71 -32730 6544.3 -39274 -39274 -7.6195e-05 -0.00026192 -0.00030478 8.1545e+05 2024-05-09 03:43:40,525 INFO [main.py:798]
{rank 0/64} MD step = 467100 step time: 00:00:00.155965 Performance: 67.042 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:43:47,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467100 93420 60.545 -32624 6635.8 -39259 -39259 0.00015239 -0.00019049 -0.00045717 8.1565e+05 2024-05-09 03:44:04,547 INFO [main.py:798]
{rank 0/64} MD step = 467200 step time: 00:00:00.152816 Performance: 67.043 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:44:17,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467200 93440 59.308 -32728 6500.3 -39228 -39228 -0.00033335 -0.00057146 -0.00010001 8.1579e+05 2024-05-09 03:44:33,562 INFO [main.py:798]
{rank 0/64} MD step = 467300 step time: 00:00:00.143047 Performance: 67.041 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:44:41,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467300 93460 60.288 -32548 6607.6 -39156 -39156 -0.00025716 -0.0005286 -0.00060956 8.1597e+05 2024-05-09 03:44:56,884 INFO [main.py:798]
{rank 0/64} MD step = 467400 step time: 00:00:00.155038 Performance: 67.042 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:45:02,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467400 93480 59.581 -32478 6530.2 -39008 -39008 -0.00024763 -0.00038097 -0.0007048 8.1617e+05 2024-05-09 03:45:18,145 INFO [main.py:798]
{rank 0/64} MD step = 467500 step time: 00:00:00.149260 Performance: 67.045 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:45:22,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467500 93500 60.593 -32514 6641.1 -39155 -39155 -0.00041907 -0.00039526 -0.00030478 8.1631e+05 2024-05-09 03:45:40,431 INFO [main.py:798]
{rank 0/64} MD step = 467600 step time: 00:00:00.159280 Performance: 67.047 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:45:46,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467600 93520 59.763 -32540 6550.1 -39090 -39090 -0.00030478 -0.00041907 -0.00060956 8.1649e+05 2024-05-09 03:46:03,097 INFO [main.py:798]
{rank 0/64} MD step = 467700 step time: 00:00:00.163581 Performance: 67.049 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:46:11,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467700 93540 59.981 -32573 6574 -39147 -39147 -0.00020954 -0.00041907 -0.00055241 8.1667e+05 2024-05-09 03:46:30,173 INFO [main.py:798]
{rank 0/64} MD step = 467800 step time: 00:00:00.165283 Performance: 67.048 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:46:37,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467800 93560 60.085 -32549 6585.4 -39135 -39135 -0.00019049 -0.00065718 -0.00064289 8.1686e+05 2024-05-09 03:46:53,583 INFO [main.py:798]
{rank 0/64} MD step = 467900 step time: 00:00:00.167148 Performance: 67.049 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:47:01,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467900 93580 59.948 -32495 6570.4 -39066 -39066 -0.00038097 -0.00040002 -3.8097e-05 8.1704e+05 2024-05-09 03:47:18,097 INFO [main.py:798]
{rank 0/64} MD step = 468000 step time: 00:00:00.144066 Performance: 67.050 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:47:26,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468000 93600 60.078 -32669 6584.6 -39253 -39253 -0.00022858 -0.00062861 -0.00019049 8.1722e+05 2024-05-09 03:47:44,514 INFO [main.py:798]
{rank 0/64} MD step = 468100 step time: 00:00:00.156020 Performance: 67.049 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:47:52,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468100 93620 58.693 -32702 6432.8 -39135 -39135 -0.00024763 -0.00045717 -0.00048574 8.1739e+05 2024-05-09 03:48:08,515 INFO [main.py:798]
{rank 0/64} MD step = 468200 step time: 00:00:00.156826 Performance: 67.050 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:48:14,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468200 93640 59.4 -32633 6510.3 -39143 -39143 -0.00046669 -0.00060956 -0.00055241 8.1753e+05 2024-05-09 03:48:30,301 INFO [main.py:798]
{rank 0/64} MD step = 468300 step time: 00:00:00.165540 Performance: 67.053 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:48:36,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468300 93660 60.074 -32408 6584.2 -38992 -38992 -0.00026668 -0.00041907 -9.5243e-05 8.1771e+05 2024-05-09 03:48:51,807 INFO [main.py:798]
{rank 0/64} MD step = 468400 step time: 00:00:00.158322 Performance: 67.055 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:48:58,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468400 93680 59.725 -32691 6545.9 -39237 -39237 0.00019049 -0.00051431 -4.7622e-05 8.1784e+05 2024-05-09 03:49:14,166 INFO [main.py:798]
{rank 0/64} MD step = 468500 step time: 00:00:00.165621 Performance: 67.057 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 03:49:32,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468500 93700 60.445 -32582 6624.8 -39207 -39207 -0.00021906 -0.00051431 -6.667e-05 8.1804e+05 2024-05-09 03:49:48,334 INFO [main.py:798]
{rank 0/64} MD step = 468600 step time: 00:00:00.152780 Performance: 67.052 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:49:59,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468600 93720 60.221 -32506 6600.3 -39107 -39107 -0.00023811 -0.00041907 -0.00033335 8.1819e+05 2024-05-09 03:50:14,909 INFO [main.py:798]
{rank 0/64} MD step = 468700 step time: 00:00:00.156836 Performance: 67.052 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:50:20,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468700 93740 60.814 -32543 6665.3 -39208 -39208 -0.00040002 -0.00038097 -0.00075242 8.1837e+05 2024-05-09 03:50:36,166 INFO [main.py:798]
{rank 0/64} MD step = 468800 step time: 00:00:00.159266 Performance: 67.054 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 03:50:42,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468800 93760 60.114 -32598 6588.6 -39186 -39186 0.00020954 -0.00051431 -0.00068575 8.1852e+05 2024-05-09 03:50:59,017 INFO [main.py:798]
{rank 0/64} MD step = 468900 step time: 00:00:00.168525 Performance: 67.056 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 03:51:04,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468900 93780 60.494 -32449 6630.2 -39079 -39079 -0.00032383 -0.00062861 -0.00030478 8.1875e+05 2024-05-09 03:51:20,868 INFO [main.py:798]
{rank 0/64} MD step = 469000 step time: 00:00:00.172977 Performance: 67.058 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 03:51:26,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469000 93800 59.828 -32712 6557.2 -39269 -39269 -5.7146e-05 -0.00053336 -0.00068575 8.1888e+05 2024-05-09 03:51:42,482 INFO [main.py:798]
{rank 0/64} MD step = 469100 step time: 00:00:00.177427 Performance: 67.060 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 03:51:47,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469100 93820 59.427 -32654 6513.3 -39168 -39168 -0.00033335 -0.00046669 -0.00060003 8.1907e+05 2024-05-09 03:52:03,139 INFO [main.py:798]
{rank 0/64} MD step = 469200 step time: 00:00:00.168736 Performance: 67.063 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 03:52:08,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469200 93840 60.519 -32567 6632.9 -39200 -39200 -0.00015239 -0.0004286 -0.00057146 8.1923e+05 2024-05-09 03:52:24,327 INFO [main.py:798]
{rank 0/64} MD step = 469300 step time: 00:00:00.162156 Performance: 67.066 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 03:52:30,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469300 93860 60.331 -32467 6612.3 -39080 -39080 -0.00048574 -0.00049527 -0.00022858 8.1943e+05 2024-05-09 03:52:46,086 INFO [main.py:798]
{rank 0/64} MD step = 469400 step time: 00:00:00.170191 Performance: 67.068 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 03:52:52,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469400 93880 59.147 -32621 6482.6 -39104 -39104 -0.00028573 -0.00038097 -0.00054289 8.1961e+05 2024-05-09 03:53:07,445 INFO [main.py:798]
{rank 0/64} MD step = 469500 step time: 00:00:00.159404 Performance: 67.070 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 03:53:12,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469500 93900 60.185 -32496 6596.3 -39092 -39092 -0.00034288 -0.00039526 0.00013334 8.1979e+05 2024-05-09 03:53:29,836 INFO [main.py:798]
{rank 0/64} MD step = 469600 step time: 00:00:00.158503 Performance: 67.072 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:53:35,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469600 93920 60.079 -32504 6584.7 -39089 -39089 -0.00036193 -0.00020954 -9.5243e-05 8.1994e+05 2024-05-09 03:53:51,931 INFO [main.py:798]
{rank 0/64} MD step = 469700 step time: 00:00:00.158127 Performance: 67.074 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:53:58,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469700 93940 60.257 -32597 6604.2 -39201 -39201 -0.00028573 -0.00045717 9.5243e-05 8.2012e+05 2024-05-09 03:54:14,396 INFO [main.py:798]
{rank 0/64} MD step = 469800 step time: 00:00:00.154012 Performance: 67.076 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:54:21,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469800 93960 60.392 -32506 6619.1 -39125 -39125 -0.00037145 -0.00029049 -0.00046193 8.2032e+05 2024-05-09 03:54:37,640 INFO [main.py:798]
{rank 0/64} MD step = 469900 step time: 00:00:00.155361 Performance: 67.078 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:54:42,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469900 93980 59.997 -32580 6575.8 -39156 -39156 -0.00038097 -0.00022858 -0.00040002 8.2049e+05 2024-05-09 03:55:01,095 INFO [main.py:798]
{rank 0/64} MD step = 470000 step time: 00:00:00.150035 Performance: 67.079 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:55:08,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470000 94000 59.506 -32586 6521.9 -39108 -39108 -0.00053336 -0.00047622 -9.5243e-05 8.2065e+05 2024-05-09 03:55:24,557 INFO [main.py:798]
{rank 0/64} MD step = 470100 step time: 00:00:00.153236 Performance: 67.080 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:55:31,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 94020 59.035 -32703 6470.3 -39173 -39173 -0.00011429 -0.00053336 -0.00041907 8.2081e+05 2024-05-09 03:55:47,422 INFO [main.py:798]
{rank 0/64} MD step = 470200 step time: 00:00:00.162066 Performance: 67.082 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:55:54,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470200 94040 60.609 -32647 6642.8 -39290 -39290 -0.00032383 -0.0003143 -0.00059051 8.2095e+05 2024-05-09 03:56:11,102 INFO [main.py:798]
{rank 0/64} MD step = 470300 step time: 00:00:00.168541 Performance: 67.083 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:56:17,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470300 94060 60.004 -32663 6576.5 -39240 -39240 -0.00047622 -0.00044764 -0.00052384 8.2115e+05 2024-05-09 03:56:34,263 INFO [main.py:798]
{rank 0/64} MD step = 470400 step time: 00:00:00.167610 Performance: 67.084 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:56:40,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470400 94080 60.091 -32636 6586.1 -39222 -39222 -0.00023811 -0.00027621 -0.00027621 8.2132e+05 2024-05-09 03:56:56,609 INFO [main.py:798]
{rank 0/64} MD step = 470500 step time: 00:00:00.170865 Performance: 67.086 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:57:03,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470500 94100 61.127 -32424 6699.5 -39123 -39123 -0.00018572 -0.00024763 -0.00028573 8.215e+05 2024-05-09 03:57:19,314 INFO [main.py:798]
{rank 0/64} MD step = 470600 step time: 00:00:00.164958 Performance: 67.088 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:57:27,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470600 94120 60.423 -32541 6622.4 -39163 -39163 -0.00026668 -0.00030478 -0.00053336 8.2163e+05 2024-05-09 03:57:43,605 INFO [main.py:798]
{rank 0/64} MD step = 470700 step time: 00:00:00.163324 Performance: 67.089 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 03:57:48,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470700 94140 60.222 -32487 6600.4 -39088 -39088 -0.0004286 -0.00034288 -0.00012382 8.2185e+05 2024-05-09 03:58:06,288 INFO [main.py:798]
{rank 0/64} MD step = 470800 step time: 00:00:00.156398 Performance: 67.090 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 03:58:12,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470800 94160 59.924 -32683 6567.8 -39251 -39251 -0.00029525 -0.00064766 -0.00068575 8.2199e+05 2024-05-09 03:58:27,639 INFO [main.py:798]
{rank 0/64} MD step = 470900 step time: 00:00:00.159970 Performance: 67.093 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 03:58:33,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470900 94180 59.328 -32733 6502.4 -39235 -39235 -0.00040478 -0.00029525 6.1908e-05 8.2217e+05 2024-05-09 03:58:49,707 INFO [main.py:798]
{rank 0/64} MD step = 471000 step time: 00:00:00.164613 Performance: 67.095 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 03:58:57,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471000 94200 60.125 -32607 6589.8 -39197 -39197 -0.0007048 -0.00041907 -0.00055241 8.2236e+05 2024-05-09 03:59:13,290 INFO [main.py:798]
{rank 0/64} MD step = 471100 step time: 00:00:00.155908 Performance: 67.096 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 03:59:19,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471100 94220 59.22 -32667 6490.6 -39158 -39158 -0.00040002 -0.00053336 -0.0007048 8.2257e+05 2024-05-09 03:59:35,515 INFO [main.py:798]
{rank 0/64} MD step = 471200 step time: 00:00:00.188458 Performance: 67.098 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 03:59:42,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471200 94240 59.655 -32592 6538.2 -39130 -39130 -0.00043812 -0.00041907 -0.00040002 8.2272e+05 2024-05-09 03:59:58,084 INFO [main.py:798]
{rank 0/64} MD step = 471300 step time: 00:00:00.162561 Performance: 67.100 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:00:04,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471300 94260 60.606 -32558 6642.5 -39201 -39201 -0.00030002 -0.00038097 -0.00049527 8.2285e+05 2024-05-09 04:00:19,816 INFO [main.py:798]
{rank 0/64} MD step = 471400 step time: 00:00:00.166401 Performance: 67.102 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:00:27,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471400 94280 59.837 -32680 6558.2 -39238 -39238 -0.00049527 -0.00055241 7.6195e-05 8.2303e+05 2024-05-09 04:00:43,675 INFO [main.py:798]
{rank 0/64} MD step = 471500 step time: 00:00:00.172072 Performance: 67.103 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:00:51,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471500 94300 59.661 -32686 6539 -39225 -39225 -0.0002524 -0.00041907 -0.00036193 8.2321e+05 2024-05-09 04:01:07,417 INFO [main.py:798]
{rank 0/64} MD step = 471600 step time: 00:00:00.159750 Performance: 67.104 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:01:13,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471600 94320 59.308 -32632 6500.3 -39132 -39132 -0.00025716 -0.00045717 -0.00068575 8.2343e+05 2024-05-09 04:01:29,940 INFO [main.py:798]
{rank 0/64} MD step = 471700 step time: 00:00:00.159212 Performance: 67.106 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:01:35,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471700 94340 60.68 -32398 6650.6 -39048 -39048 -0.00032383 -0.0003143 -0.00062861 8.2363e+05 2024-05-09 04:01:51,651 INFO [main.py:798]
{rank 0/64} MD step = 471800 step time: 00:00:00.154484 Performance: 67.108 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:01:58,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471800 94360 60.234 -32534 6601.8 -39136 -39136 -0.00054289 -0.00041907 -0.00012382 8.2378e+05 2024-05-09 04:02:14,113 INFO [main.py:798]
{rank 0/64} MD step = 471900 step time: 00:00:00.160494 Performance: 67.110 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:02:19,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471900 94380 60.646 -32549 6646.9 -39196 -39196 -0.00019049 -0.00030478 -9.5243e-05 8.2396e+05 2024-05-09 04:02:37,623 INFO [main.py:798]
{rank 0/64} MD step = 472000 step time: 00:00:00.157807 Performance: 67.111 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:02:45,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472000 94400 59.323 -32717 6501.8 -39219 -39219 -0.00020001 -0.00034288 -0.00053336 8.2412e+05 2024-05-09 04:03:01,319 INFO [main.py:798]
{rank 0/64} MD step = 472100 step time: 00:00:00.153629 Performance: 67.112 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:03:11,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472100 94420 59.807 -32567 6554.9 -39122 -39122 -0.00032383 -0.00051431 -0.00034288 8.2428e+05 2024-05-09 04:03:27,091 INFO [main.py:798]
{rank 0/64} MD step = 472200 step time: 00:00:00.154536 Performance: 67.112 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:03:33,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472200 94440 59.208 -32528 6489.3 -39017 -39017 -0.00034288 -0.00037145 -0.00052384 8.2451e+05 2024-05-09 04:03:50,357 INFO [main.py:798]
{rank 0/64} MD step = 472300 step time: 00:00:00.147572 Performance: 67.114 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:03:58,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472300 94460 60.847 -32418 6668.9 -39087 -39087 -0.00050479 -0.00026668 -0.00076195 8.2465e+05 2024-05-09 04:04:14,119 INFO [main.py:798]
{rank 0/64} MD step = 472400 step time: 00:00:00.149743 Performance: 67.115 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:04:19,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472400 94480 60.357 -32582 6615.2 -39198 -39198 -0.00041907 -0.00062861 -0.00049527 8.2481e+05 2024-05-09 04:04:42,490 INFO [main.py:798]
{rank 0/64} MD step = 472500 step time: 00:00:00.150961 Performance: 67.113 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:04:49,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472500 94500 59.701 -32598 6543.3 -39141 -39141 -0.00045717 -0.00053336 -1.9049e-05 8.2498e+05 2024-05-09 04:05:05,859 INFO [main.py:798]
{rank 0/64} MD step = 472600 step time: 00:00:00.142854 Performance: 67.115 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:05:12,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472600 94520 59.587 -32523 6530.8 -39054 -39054 -0.00028573 -0.00057146 -0.00069528 8.2518e+05 2024-05-09 04:05:28,425 INFO [main.py:798]
{rank 0/64} MD step = 472700 step time: 00:00:00.143241 Performance: 67.116 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:05:34,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472700 94540 60.543 -32539 6635.6 -39174 -39174 -0.00015715 -0.00026668 -0.00013334 8.2531e+05 2024-05-09 04:05:50,115 INFO [main.py:798]
{rank 0/64} MD step = 472800 step time: 00:00:00.148360 Performance: 67.119 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:05:56,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472800 94560 60.087 -32670 6585.6 -39256 -39256 -0.00028573 -0.00028573 -0.00064766 8.2549e+05 2024-05-09 04:06:12,478 INFO [main.py:798]
{rank 0/64} MD step = 472900 step time: 00:00:00.149998 Performance: 67.121 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:06:19,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472900 94580 60.327 -32575 6611.9 -39187 -39187 -0.00024763 -0.00045717 -0.00057146 8.2567e+05 2024-05-09 04:06:35,025 INFO [main.py:798]
{rank 0/64} MD step = 473000 step time: 00:00:00.144277 Performance: 67.122 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:06:40,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473000 94600 59.771 -32701 6551 -39252 -39252 -0.00037145 -0.00047622 -0.00024763 8.2582e+05 2024-05-09 04:06:56,588 INFO [main.py:798]
{rank 0/64} MD step = 473100 step time: 00:00:00.155417 Performance: 67.125 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:07:06,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473100 94620 60.786 -32444 6662.2 -39106 -39106 -0.00043812 -0.00035716 -0.00054289 8.2601e+05 2024-05-09 04:07:22,273 INFO [main.py:798]
{rank 0/64} MD step = 473200 step time: 00:00:00.157671 Performance: 67.125 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:07:27,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473200 94640 58.982 -32607 6464.5 -39072 -39072 -0.00041907 -5.7146e-05 -3.8097e-05 8.262e+05 2024-05-09 04:07:43,878 INFO [main.py:798]
{rank 0/64} MD step = 473300 step time: 00:00:00.158189 Performance: 67.127 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:07:49,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473300 94660 59.381 -32713 6508.3 -39221 -39221 -0.00034288 -0.00046193 -0.00061908 8.2635e+05 2024-05-09 04:08:06,811 INFO [main.py:798]
{rank 0/64} MD step = 473400 step time: 00:00:00.157645 Performance: 67.128 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:08:13,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473400 94680 59.832 -32659 6557.7 -39217 -39217 -0.00016191 -0.00024763 -0.00057146 8.2653e+05 2024-05-09 04:08:28,286 INFO [main.py:798]
{rank 0/64} MD step = 473500 step time: 00:00:00.149776 Performance: 67.131 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:08:34,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473500 94700 60.336 -32487 6612.9 -39100 -39100 -0.00060956 -0.00051431 -0.00052384 8.2674e+05 2024-05-09 04:08:51,080 INFO [main.py:798]
{rank 0/64} MD step = 473600 step time: 00:00:00.151094 Performance: 67.132 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:08:58,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473600 94720 59.51 -32709 6522.3 -39231 -39231 -0.00057146 -0.00038097 -0.00057146 8.2688e+05 2024-05-09 04:09:15,067 INFO [main.py:798]
{rank 0/64} MD step = 473700 step time: 00:00:00.167543 Performance: 67.133 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:09:22,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473700 94740 59.435 -32679 6514.2 -39193 -39193 -0.00018096 -0.00045717 -0.00011905 8.2706e+05 2024-05-09 04:09:38,693 INFO [main.py:798]
{rank 0/64} MD step = 473800 step time: 00:00:00.158545 Performance: 67.135 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:09:46,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473800 94760 59.94 -32607 6569.5 -39177 -39177 -0.00030478 -0.00030478 -0.0007429 8.2721e+05 2024-05-09 04:10:02,148 INFO [main.py:798]
{rank 0/64} MD step = 473900 step time: 00:00:00.157290 Performance: 67.136 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:10:07,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473900 94780 59.943 -32436 6569.9 -39006 -39006 -0.00036193 -0.00041907 -0.00072385 8.2742e+05 2024-05-09 04:10:23,683 INFO [main.py:798]
{rank 0/64} MD step = 474000 step time: 00:00:00.161822 Performance: 67.138 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:10:29,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474000 94800 59.34 -32708 6503.7 -39212 -39212 -0.00032383 -0.00044764 -0.00011429 8.2757e+05 2024-05-09 04:10:45,562 INFO [main.py:798]
{rank 0/64} MD step = 474100 step time: 00:00:00.189498 Performance: 67.140 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:10:51,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474100 94820 59.902 -32541 6565.3 -39106 -39106 -0.00047622 -0.00050479 -0.00062861 8.2775e+05 2024-05-09 04:11:07,487 INFO [main.py:798]
{rank 0/64} MD step = 474200 step time: 00:00:00.170349 Performance: 67.142 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:11:15,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474200 94840 59.923 -32497 6567.6 -39064 -39064 -0.00044764 -0.00047622 -0.00011429 8.2794e+05 2024-05-09 04:11:30,767 INFO [main.py:798]
{rank 0/64} MD step = 474300 step time: 00:00:00.162212 Performance: 67.144 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:11:39,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474300 94860 59.617 -32619 6534.1 -39153 -39153 -0.00032383 -0.00064766 -0.00055241 8.2812e+05 2024-05-09 04:11:55,296 INFO [main.py:798]
{rank 0/64} MD step = 474400 step time: 00:00:00.163641 Performance: 67.144 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:12:01,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474400 94880 59.624 -32598 6534.9 -39133 -39133 -0.00028573 -0.00046669 -0.00071433 8.2829e+05 2024-05-09 04:12:17,555 INFO [main.py:798]
{rank 0/64} MD step = 474500 step time: 00:00:00.164122 Performance: 67.146 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:12:23,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474500 94900 59.069 -32677 6474 -39151 -39151 -0.00024287 -0.00057146 -0.00051431 8.2851e+05 2024-05-09 04:12:38,223 INFO [main.py:798]
{rank 0/64} MD step = 474600 step time: 00:00:00.157506 Performance: 67.149 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:12:42,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474600 94920 59.997 -32563 6575.7 -39139 -39139 -0.00015239 -0.00043812 -0.00079052 8.2866e+05 2024-05-09 04:13:00,586 INFO [main.py:798]
{rank 0/64} MD step = 474700 step time: 00:00:00.148205 Performance: 67.151 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:13:07,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474700 94940 59.879 -32579 6562.8 -39142 -39142 -0.00043812 -0.00024763 -1.9049e-05 8.288e+05 2024-05-09 04:13:22,845 INFO [main.py:798]
{rank 0/64} MD step = 474800 step time: 00:00:00.159132 Performance: 67.153 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:13:29,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474800 94960 60.162 -32643 6593.8 -39237 -39237 -9.5243e-05 -0.00058099 -0.00019049 8.2897e+05 2024-05-09 04:13:46,088 INFO [main.py:798]
{rank 0/64} MD step = 474900 step time: 00:00:00.156079 Performance: 67.154 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:13:55,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474900 94980 60.621 -32456 6644.2 -39100 -39100 -0.00032383 -0.00053813 -0.00060956 8.2916e+05 2024-05-09 04:14:11,353 INFO [main.py:798]
{rank 0/64} MD step = 475000 step time: 00:00:00.165606 Performance: 67.154 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:14:18,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475000 95000 60.747 -32515 6658 -39173 -39173 -0.00014763 -0.00030954 -0.00061908 8.2932e+05 2024-05-09 04:14:33,883 INFO [main.py:798]
{rank 0/64} MD step = 475100 step time: 00:00:00.160934 Performance: 67.156 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:14:41,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475100 95020 59.72 -32678 6545.4 -39224 -39224 -0.00038097 -0.00047146 -0.00029049 8.2946e+05 2024-05-09 04:14:57,959 INFO [main.py:798]
{rank 0/64} MD step = 475200 step time: 00:00:00.164612 Performance: 67.157 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:15:06,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475200 95040 60.224 -32530 6600.6 -39130 -39130 -0.00048098 -0.00034288 -0.0004286 8.2965e+05 2024-05-09 04:15:23,134 INFO [main.py:798]
{rank 0/64} MD step = 475300 step time: 00:00:00.149739 Performance: 67.157 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:15:28,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475300 95060 61.643 -32394 6756.1 -39150 -39150 0.0003905 -0.0004286 -0.00057146 8.2981e+05 2024-05-09 04:15:46,095 INFO [main.py:798]
{rank 0/64} MD step = 475400 step time: 00:00:00.150989 Performance: 67.159 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:15:52,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475400 95080 60.098 -32414 6586.8 -39001 -39001 -0.00026668 -0.00032383 -0.00046669 8.3001e+05 2024-05-09 04:16:08,606 INFO [main.py:798]
{rank 0/64} MD step = 475500 step time: 00:00:00.149684 Performance: 67.161 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:16:14,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475500 95100 60.223 -32589 6600.5 -39190 -39190 -0.00030478 -0.00026668 -0.00010953 8.3018e+05 2024-05-09 04:16:30,762 INFO [main.py:798]
{rank 0/64} MD step = 475600 step time: 00:00:00.151946 Performance: 67.163 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:16:36,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475600 95120 60.613 -32376 6643.2 -39019 -39019 -0.00034288 -0.00065718 -0.00013334 8.3038e+05 2024-05-09 04:16:52,479 INFO [main.py:798]
{rank 0/64} MD step = 475700 step time: 00:00:00.140733 Performance: 67.165 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:16:58,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475700 95140 60.579 -32502 6639.5 -39142 -39142 -0.00028573 -0.0003143 -9.5243e-05 8.3054e+05 2024-05-09 04:17:14,781 INFO [main.py:798]
{rank 0/64} MD step = 475800 step time: 00:00:00.157993 Performance: 67.167 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:17:20,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475800 95160 59.475 -32702 6518.5 -39220 -39220 -0.00038097 -0.00057146 -0.00053336 8.3072e+05 2024-05-09 04:17:36,491 INFO [main.py:798]
{rank 0/64} MD step = 475900 step time: 00:00:00.164478 Performance: 67.169 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:17:42,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475900 95180 60.018 -32561 6578 -39139 -39139 -0.00049527 -0.00030478 -0.00061432 8.3089e+05 2024-05-09 04:18:00,106 INFO [main.py:798]
{rank 0/64} MD step = 476000 step time: 00:00:00.160902 Performance: 67.170 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:18:05,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476000 95200 60.744 -32609 6657.6 -39267 -39267 -0.00045717 -0.00055241 -0.0007048 8.3103e+05 2024-05-09 04:18:22,073 INFO [main.py:798]
{rank 0/64} MD step = 476100 step time: 00:00:00.155932 Performance: 67.172 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:18:25,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476100 95220 59.611 -32652 6533.4 -39185 -39185 -0.0003524 -0.00030478 3.8097e-05 8.3122e+05 2024-05-09 04:18:43,396 INFO [main.py:798]
{rank 0/64} MD step = 476200 step time: 00:00:00.159028 Performance: 67.175 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:18:49,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476200 95240 60.102 -32503 6587.2 -39090 -39090 -0.00020954 -0.00055241 0.00011429 8.3141e+05 2024-05-09 04:19:06,130 INFO [main.py:798]
{rank 0/64} MD step = 476300 step time: 00:00:00.160273 Performance: 67.176 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:19:10,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476300 95260 60.48 -32641 6628.7 -39270 -39270 -0.00026668 -0.00064766 -7.6195e-05 8.3157e+05 2024-05-09 04:19:29,420 INFO [main.py:798]
{rank 0/64} MD step = 476400 step time: 00:00:00.165754 Performance: 67.178 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:19:35,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476400 95280 60.071 -32582 6583.9 -39166 -39166 -0.0003524 -0.00040002 -0.00022858 8.3175e+05 2024-05-09 04:19:51,344 INFO [main.py:798]
{rank 0/64} MD step = 476500 step time: 00:00:00.161229 Performance: 67.180 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:19:56,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476500 95300 59.386 -32567 6508.7 -39076 -39076 -0.00040002 -0.00060956 -0.00053336 8.3193e+05 2024-05-09 04:20:13,698 INFO [main.py:798]
{rank 0/64} MD step = 476600 step time: 00:00:00.155788 Performance: 67.182 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:20:19,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476600 95320 60.171 -32543 6594.8 -39138 -39138 -0.00038097 -0.00034288 -0.00049527 8.3209e+05 2024-05-09 04:20:35,789 INFO [main.py:798]
{rank 0/64} MD step = 476700 step time: 00:00:00.154137 Performance: 67.184 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:20:44,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476700 95340 59.616 -32720 6534 -39254 -39254 -0.00030478 -0.00040002 -0.00022858 8.3226e+05 2024-05-09 04:20:59,580 INFO [main.py:798]
{rank 0/64} MD step = 476800 step time: 00:00:00.147550 Performance: 67.185 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:21:14,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476800 95360 59.855 -32682 6560.2 -39242 -39242 -0.00017144 -0.00024763 -0.00057146 8.3238e+05 2024-05-09 04:21:30,502 INFO [main.py:798]
{rank 0/64} MD step = 476900 step time: 00:00:00.150796 Performance: 67.182 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:21:37,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476900 95380 60.248 -32581 6603.2 -39185 -39185 -0.00032383 -0.000781 -0.0003905 8.3257e+05 2024-05-09 04:21:53,532 INFO [main.py:798]
{rank 0/64} MD step = 477000 step time: 00:00:00.155901 Performance: 67.183 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:22:00,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477000 95400 59.728 -32590 6546.2 -39137 -39137 -0.00019049 -0.00041907 -0.00072385 8.3273e+05 2024-05-09 04:22:16,383 INFO [main.py:798]
{rank 0/64} MD step = 477100 step time: 00:00:00.142720 Performance: 67.185 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:22:21,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477100 95420 60.024 -32456 6578.7 -39035 -39035 -0.00041431 -0.00046669 -0.00068575 8.3293e+05 2024-05-09 04:22:38,407 INFO [main.py:798]
{rank 0/64} MD step = 477200 step time: 00:00:00.152703 Performance: 67.187 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:22:44,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477200 95440 60.045 -32674 6581 -39255 -39255 -0.00026668 -0.00040002 5.7146e-05 8.3305e+05 2024-05-09 04:23:00,813 INFO [main.py:798]
{rank 0/64} MD step = 477300 step time: 00:00:00.154471 Performance: 67.189 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:23:06,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477300 95460 59.797 -32482 6553.9 -39036 -39036 -0.00043812 -0.00022858 -0.00057622 8.3325e+05 2024-05-09 04:23:23,343 INFO [main.py:798]
{rank 0/64} MD step = 477400 step time: 00:00:00.160892 Performance: 67.190 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:23:29,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477400 95480 60.243 -32561 6602.7 -39163 -39163 -0.00017144 -0.00038097 -0.00064766 8.334e+05 2024-05-09 04:23:45,408 INFO [main.py:798]
{rank 0/64} MD step = 477500 step time: 00:00:00.155813 Performance: 67.192 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:23:51,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477500 95500 59.608 -32585 6533.1 -39118 -39118 -0.00013334 -0.00047622 -0.00047622 8.3358e+05 2024-05-09 04:24:07,536 INFO [main.py:798]
{rank 0/64} MD step = 477600 step time: 00:00:00.156752 Performance: 67.194 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:24:13,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477600 95520 59.921 -32575 6567.4 -39143 -39143 -0.00026668 -0.00040002 -0.00061908 8.3374e+05 2024-05-09 04:24:29,275 INFO [main.py:798]
{rank 0/64} MD step = 477700 step time: 00:00:00.153027 Performance: 67.196 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:24:34,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477700 95540 59.567 -32544 6528.7 -39073 -39073 -0.00027621 -0.00040002 -0.00059527 8.3394e+05 2024-05-09 04:24:50,913 INFO [main.py:798]
{rank 0/64} MD step = 477800 step time: 00:00:00.160998 Performance: 67.199 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:24:56,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477800 95560 59.422 -32569 6512.8 -39082 -39082 -0.00042383 -0.0003143 -0.00053336 8.3413e+05 2024-05-09 04:25:14,011 INFO [main.py:798]
{rank 0/64} MD step = 477900 step time: 00:00:00.160537 Performance: 67.200 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:25:19,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477900 95580 60.131 -32590 6590.4 -39180 -39180 -0.00030478 -0.00060956 -0.00076671 8.3431e+05 2024-05-09 04:25:35,448 INFO [main.py:798]
{rank 0/64} MD step = 478000 step time: 00:00:00.171862 Performance: 67.202 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:25:39,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478000 95600 59.725 -32531 6546 -39077 -39077 9.5243e-06 -0.00032383 -0.00045717 8.3455e+05 2024-05-09 04:25:57,236 INFO [main.py:798]
{rank 0/64} MD step = 478100 step time: 00:00:00.167527 Performance: 67.205 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:26:08,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478100 95620 60.146 -32458 6592.1 -39050 -39050 -0.00034288 -0.0004286 -2.8573e-05 8.3472e+05 2024-05-09 04:26:24,411 INFO [main.py:798]
{rank 0/64} MD step = 478200 step time: 00:00:00.153126 Performance: 67.204 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:26:30,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478200 95640 60.318 -32551 6611 -39162 -39162 -0.00024763 -0.00041907 -0.00053336 8.3486e+05 2024-05-09 04:26:48,264 INFO [main.py:798]
{rank 0/64} MD step = 478300 step time: 00:00:00.155538 Performance: 67.205 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:26:53,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478300 95660 59.929 -32631 6568.3 -39199 -39199 -0.00026668 -0.00051431 -0.00072385 8.3504e+05 2024-05-09 04:27:09,576 INFO [main.py:798]
{rank 0/64} MD step = 478400 step time: 00:00:00.156175 Performance: 67.207 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:27:16,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478400 95680 60.478 -32464 6628.5 -39092 -39092 -0.00013334 -0.00038097 -0.00034288 8.352e+05 2024-05-09 04:27:32,035 INFO [main.py:798]
{rank 0/64} MD step = 478500 step time: 00:00:00.147266 Performance: 67.209 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:27:44,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478500 95700 59.925 -32479 6567.8 -39046 -39046 -0.00024763 -0.00057146 -9.5243e-05 8.354e+05 2024-05-09 04:28:01,692 INFO [main.py:798]
{rank 0/64} MD step = 478600 step time: 00:00:00.161743 Performance: 67.207 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:28:07,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478600 95720 60.445 -32530 6624.8 -39155 -39155 -0.00030478 -0.00033335 -0.00048574 8.3554e+05 2024-05-09 04:28:23,758 INFO [main.py:798]
{rank 0/64} MD step = 478700 step time: 00:00:00.141462 Performance: 67.209 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:28:34,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478700 95740 59.736 -32604 6547.1 -39152 -39152 -0.00022858 -0.00027621 -0.00027621 8.3569e+05 2024-05-09 04:28:50,643 INFO [main.py:798]
{rank 0/64} MD step = 478800 step time: 00:00:00.143410 Performance: 67.208 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:28:55,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478800 95760 60.793 -32447 6663 -39110 -39110 -0.00029049 -0.00026668 -0.00053336 8.359e+05 2024-05-09 04:29:13,681 INFO [main.py:798]
{rank 0/64} MD step = 478900 step time: 00:00:00.153817 Performance: 67.210 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:29:20,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478900 95780 60.171 -32499 6594.8 -39094 -39094 -0.00041907 -0.00040955 -0.00073337 8.3606e+05 2024-05-09 04:29:34,909 INFO [main.py:798]
{rank 0/64} MD step = 479000 step time: 00:00:00.155620 Performance: 67.212 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:29:41,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479000 95800 60.22 -32569 6600.2 -39169 -39169 -0.00024763 -0.00047622 3.8097e-05 8.3622e+05 2024-05-09 04:29:57,205 INFO [main.py:798]
{rank 0/64} MD step = 479100 step time: 00:00:00.143089 Performance: 67.214 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:30:30,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479100 95820 59.055 -32664 6472.5 -39136 -39136 -0.00033335 -0.00023335 -0.00069528 8.3641e+05 2024-05-09 04:30:46,471 INFO [main.py:798]
{rank 0/64} MD step = 479200 step time: 00:00:00.163051 Performance: 67.201 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:30:51,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479200 95840 60.414 -32620 6621.4 -39241 -39241 -0.00032383 -0.00043812 -0.00064766 8.3657e+05 2024-05-09 04:31:07,814 INFO [main.py:798]
{rank 0/64} MD step = 479300 step time: 00:00:00.165563 Performance: 67.204 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:31:17,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479300 95860 60.067 -32603 6583.5 -39186 -39186 -0.00038097 -0.00032383 -0.00045717 8.3678e+05 2024-05-09 04:31:34,127 INFO [main.py:798]
{rank 0/64} MD step = 479400 step time: 00:00:00.169098 Performance: 67.203 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:31:41,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479400 95880 59.614 -32678 6533.7 -39212 -39212 -0.00033335 -0.00028573 -0.00072385 8.3694e+05 2024-05-09 04:31:57,310 INFO [main.py:798]
{rank 0/64} MD step = 479500 step time: 00:00:00.154818 Performance: 67.205 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:32:03,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479500 95900 58.893 -32772 6454.8 -39227 -39227 -0.00046193 9.5243e-05 -0.00053336 8.3713e+05 2024-05-09 04:32:20,276 INFO [main.py:798]
{rank 0/64} MD step = 479600 step time: 00:00:00.161002 Performance: 67.206 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:32:26,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479600 95920 60.612 -32545 6643.1 -39188 -39188 -9.5243e-05 -0.00053336 -0.00072385 8.3732e+05 2024-05-09 04:32:41,973 INFO [main.py:798]
{rank 0/64} MD step = 479700 step time: 00:00:00.163698 Performance: 67.208 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:32:49,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479700 95940 60.393 -32493 6619.1 -39113 -39113 -0.00028573 -0.00049527 -0.0001381 8.3752e+05 2024-05-09 04:33:05,543 INFO [main.py:798]
{rank 0/64} MD step = 479800 step time: 00:00:00.188794 Performance: 67.209 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:33:13,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479800 95960 60.994 -32410 6685 -39095 -39095 -0.00032383 -0.00023811 -3.8097e-05 8.377e+05 2024-05-09 04:33:29,375 INFO [main.py:798]
{rank 0/64} MD step = 479900 step time: 00:00:00.144651 Performance: 67.210 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:33:37,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479900 95980 59.77 -32585 6550.9 -39136 -39136 -0.00028573 -0.00019049 -0.00040002 8.3787e+05 2024-05-09 04:33:52,227 INFO [main.py:798]
{rank 0/64} MD step = 480000 step time: 00:00:00.164335 Performance: 67.212 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:33:58,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480000 96000 60.292 -32582 6608.1 -39190 -39190 -0.00032383 -0.00055241 7.6195e-05 8.3801e+05 2024-05-09 04:34:14,091 INFO [main.py:798]
{rank 0/64} MD step = 480100 step time: 00:00:00.148961 Performance: 67.214 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:34:20,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480100 96020 59.432 -32710 6513.9 -39224 -39224 -0.00015239 -0.00041907 -0.00060956 8.3819e+05 2024-05-09 04:34:35,723 INFO [main.py:798]
{rank 0/64} MD step = 480200 step time: 00:00:00.151022 Performance: 67.216 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:34:48,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480200 96040 59.908 -32517 6566 -39083 -39083 -0.00022858 -0.00025716 -0.00053336 8.3837e+05 2024-05-09 04:35:05,589 INFO [main.py:798]
{rank 0/64} MD step = 480300 step time: 00:00:00.189796 Performance: 67.214 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:35:12,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480300 96060 59.607 -32710 6533 -39243 -39243 0.00025716 -0.00040955 -6.667e-05 8.3853e+05 2024-05-09 04:35:27,554 INFO [main.py:798]
{rank 0/64} MD step = 480400 step time: 00:00:00.165679 Performance: 67.216 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:35:33,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480400 96080 59.678 -32624 6540.8 -39165 -39165 -0.00045717 -0.00038097 -0.00053813 8.3875e+05 2024-05-09 04:35:49,283 INFO [main.py:798]
{rank 0/64} MD step = 480500 step time: 00:00:00.153827 Performance: 67.218 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:35:55,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480500 96100 59.874 -32611 6562.3 -39173 -39173 3.8097e-05 -0.00037145 5.7146e-05 8.3895e+05 2024-05-09 04:36:10,880 INFO [main.py:798]
{rank 0/64} MD step = 480600 step time: 00:00:00.156801 Performance: 67.220 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:36:14,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480600 96120 60.141 -32619 6591.5 -39210 -39210 -0.00051431 -0.00048574 -0.00059051 8.3911e+05 2024-05-09 04:36:31,851 INFO [main.py:798]
{rank 0/64} MD step = 480700 step time: 00:00:00.160509 Performance: 67.223 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:36:38,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480700 96140 60.05 -32492 6581.5 -39074 -39074 0.00013334 -0.00015239 -0.00019049 8.3929e+05 2024-05-09 04:36:53,721 INFO [main.py:798]
{rank 0/64} MD step = 480800 step time: 00:00:00.149894 Performance: 67.225 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:36:58,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480800 96160 60.273 -32456 6606 -39062 -39062 -0.00034288 -0.00046669 -0.00045717 8.3947e+05 2024-05-09 04:37:14,180 INFO [main.py:798]
{rank 0/64} MD step = 480900 step time: 00:00:00.158088 Performance: 67.228 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:37:21,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480900 96180 59.975 -32466 6573.4 -39039 -39039 -9.5243e-05 -0.00054289 -0.00034288 8.3965e+05 2024-05-09 04:37:35,442 INFO [main.py:798]
{rank 0/64} MD step = 481000 step time: 00:00:00.154699 Performance: 67.230 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:37:41,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481000 96200 59.675 -32607 6540.5 -39148 -39148 -0.00026668 -0.00022858 -0.00041907 8.3983e+05 2024-05-09 04:37:56,826 INFO [main.py:798]
{rank 0/64} MD step = 481100 step time: 00:00:00.134639 Performance: 67.233 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:38:07,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481100 96220 59.979 -32603 6573.7 -39177 -39177 -0.00021906 -0.00024763 -0.00015239 8.4002e+05 2024-05-09 04:38:22,997 INFO [main.py:798]
{rank 0/64} MD step = 481200 step time: 00:00:00.149780 Performance: 67.233 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:38:28,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481200 96240 60.579 -32487 6639.5 -39127 -39127 -0.00040002 -0.00030478 -0.00082862 8.4022e+05 2024-05-09 04:38:45,437 INFO [main.py:798]
{rank 0/64} MD step = 481300 step time: 00:00:00.151588 Performance: 67.234 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:38:51,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481300 96260 59.613 -32645 6533.7 -39179 -39179 -0.00036193 -0.00032383 -0.00022858 8.4037e+05 2024-05-09 04:39:06,685 INFO [main.py:798]
{rank 0/64} MD step = 481400 step time: 00:00:00.151497 Performance: 67.237 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:39:13,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481400 96280 59.876 -32715 6562.5 -39277 -39277 0.00013334 -0.00038097 -0.00012382 8.4055e+05 2024-05-09 04:39:28,781 INFO [main.py:798]
{rank 0/64} MD step = 481500 step time: 00:00:00.146707 Performance: 67.239 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:39:33,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481500 96300 59.686 -32625 6541.6 -39167 -39167 -0.00014287 -0.00038097 -0.00018096 8.4073e+05 2024-05-09 04:39:51,068 INFO [main.py:798]
{rank 0/64} MD step = 481600 step time: 00:00:00.141051 Performance: 67.241 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:39:58,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481600 96320 60.428 -32608 6623 -39231 -39231 -0.00043812 -0.00047146 -0.00057146 8.4089e+05 2024-05-09 04:40:14,005 INFO [main.py:798]
{rank 0/64} MD step = 481700 step time: 00:00:00.141252 Performance: 67.242 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:40:20,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481700 96340 59.715 -32604 6544.8 -39148 -39148 -0.00024763 -0.00034288 -0.00057146 8.411e+05 2024-05-09 04:40:36,002 INFO [main.py:798]
{rank 0/64} MD step = 481800 step time: 00:00:00.152638 Performance: 67.244 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:40:41,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481800 96360 59.987 -32627 6574.7 -39201 -39201 -0.00045717 -0.00030478 -0.00061908 8.4123e+05 2024-05-09 04:40:57,675 INFO [main.py:798]
{rank 0/64} MD step = 481900 step time: 00:00:00.145554 Performance: 67.246 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:41:05,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481900 96380 59.643 -32472 6536.9 -39009 -39009 -0.00024763 -0.00038097 -0.00034288 8.4145e+05 2024-05-09 04:41:21,443 INFO [main.py:798]
{rank 0/64} MD step = 482000 step time: 00:00:00.145600 Performance: 67.247 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:41:30,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482000 96400 60.778 -32499 6661.3 -39160 -39160 -0.00043812 -0.00047622 -0.00059051 8.4163e+05 2024-05-09 04:41:45,127 INFO [main.py:798]
{rank 0/64} MD step = 482100 step time: 00:00:00.148122 Performance: 67.248 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:41:52,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482100 96420 59.378 -32685 6507.9 -39193 -39193 -0.00030478 -0.00041907 1.9049e-05 8.4177e+05 2024-05-09 04:42:08,470 INFO [main.py:798]
{rank 0/64} MD step = 482200 step time: 00:00:00.151011 Performance: 67.250 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:42:15,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482200 96440 60.844 -32473 6668.6 -39142 -39142 -0.00038097 -0.0003524 -0.00026668 8.4198e+05 2024-05-09 04:42:31,317 INFO [main.py:798]
{rank 0/64} MD step = 482300 step time: 00:00:00.139183 Performance: 67.251 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:42:36,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482300 96460 59.612 -32625 6533.5 -39158 -39158 -0.00022858 2.3811e-05 -0.00019049 8.4215e+05 2024-05-09 04:42:52,649 INFO [main.py:798]
{rank 0/64} MD step = 482400 step time: 00:00:00.151147 Performance: 67.254 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:42:58,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482400 96480 59.45 -32589 6515.8 -39105 -39105 -0.00053336 -0.00060956 -0.00038097 8.4235e+05 2024-05-09 04:43:14,202 INFO [main.py:798]
{rank 0/64} MD step = 482500 step time: 00:00:00.150015 Performance: 67.256 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:43:22,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482500 96500 59.379 -32745 6508 -39253 -39253 -0.00045717 -0.00055241 -0.00026668 8.4251e+05 2024-05-09 04:43:41,181 INFO [main.py:798]
{rank 0/64} MD step = 482600 step time: 00:00:00.154051 Performance: 67.255 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:43:51,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482600 96520 60.296 -32490 6608.5 -39099 -39099 -0.00020954 -0.00043812 -0.0007048 8.4269e+05 2024-05-09 04:44:09,112 INFO [main.py:798]
{rank 0/64} MD step = 482700 step time: 00:00:00.151862 Performance: 67.254 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:44:15,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482700 96540 60.2 -32480 6598 -39078 -39078 -0.00036193 -0.00058099 -0.00049527 8.4288e+05 2024-05-09 04:44:32,826 INFO [main.py:798]
{rank 0/64} MD step = 482800 step time: 00:00:00.135410 Performance: 67.255 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:44:40,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482800 96560 59.601 -32615 6532.4 -39147 -39147 0.00040002 -0.00047622 -0.00043812 8.4302e+05 2024-05-09 04:44:55,923 INFO [main.py:798]
{rank 0/64} MD step = 482900 step time: 00:00:00.136454 Performance: 67.256 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:45:01,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482900 96580 60.521 -32527 6633.2 -39160 -39160 -0.00041907 -0.00034288 9.5243e-06 8.4317e+05 2024-05-09 04:45:17,339 INFO [main.py:798]
{rank 0/64} MD step = 483000 step time: 00:00:00.132931 Performance: 67.259 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:45:23,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483000 96600 60.344 -32523 6613.8 -39137 -39137 -0.00021906 -0.00041907 -0.00046669 8.4335e+05 2024-05-09 04:45:39,094 INFO [main.py:798]
{rank 0/64} MD step = 483100 step time: 00:00:00.137873 Performance: 67.261 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:45:46,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483100 96620 60.452 -32523 6625.6 -39149 -39149 -0.00030478 -0.00055241 -7.6195e-05 8.4355e+05 2024-05-09 04:46:01,923 INFO [main.py:798]
{rank 0/64} MD step = 483200 step time: 00:00:00.139056 Performance: 67.262 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:46:08,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483200 96640 60.588 -32560 6640.5 -39201 -39201 -0.00011429 -0.00040002 -6.667e-05 8.437e+05 2024-05-09 04:46:24,458 INFO [main.py:798]
{rank 0/64} MD step = 483300 step time: 00:00:00.156661 Performance: 67.264 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:46:30,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483300 96660 60.393 -32617 6619.2 -39236 -39236 -0.00024287 -0.00041907 -0.0006667 8.4388e+05 2024-05-09 04:46:46,277 INFO [main.py:798]
{rank 0/64} MD step = 483400 step time: 00:00:00.157170 Performance: 67.266 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:46:52,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483400 96680 59.121 -32673 6479.7 -39153 -39153 -9.5243e-05 -0.00072385 -0.00068575 8.4406e+05 2024-05-09 04:47:08,128 INFO [main.py:798]
{rank 0/64} MD step = 483500 step time: 00:00:00.156285 Performance: 67.268 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:47:13,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483500 96700 59.31 -32740 6500.4 -39240 -39240 -3.8097e-05 -0.00055241 0.00016191 8.4421e+05 2024-05-09 04:47:29,412 INFO [main.py:798]
{rank 0/64} MD step = 483600 step time: 00:00:00.156177 Performance: 67.271 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:47:35,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483600 96720 59.842 -32524 6558.8 -39082 -39082 0.00027621 -0.00036193 -0.0004286 8.4443e+05 2024-05-09 04:47:51,126 INFO [main.py:798]
{rank 0/64} MD step = 483700 step time: 00:00:00.160948 Performance: 67.273 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:47:58,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483700 96740 61.114 -32542 6698.2 -39240 -39240 0.00015715 -0.00038097 -0.00045717 8.4457e+05 2024-05-09 04:48:13,682 INFO [main.py:798]
{rank 0/64} MD step = 483800 step time: 00:00:00.158381 Performance: 67.274 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:48:19,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483800 96760 59.933 -32579 6568.7 -39148 -39148 -0.00043812 -0.00036193 -0.00051431 8.4476e+05 2024-05-09 04:48:35,140 INFO [main.py:798]
{rank 0/64} MD step = 483900 step time: 00:00:00.162996 Performance: 67.277 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:48:42,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483900 96780 60.189 -32528 6596.7 -39125 -39125 0.00012382 -0.00027621 0.00010001 8.4495e+05 2024-05-09 04:48:58,691 INFO [main.py:798]
{rank 0/64} MD step = 484000 step time: 00:00:00.150887 Performance: 67.278 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:49:04,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484000 96800 60.57 -32512 6638.5 -39150 -39150 -0.00019049 -0.00040955 -0.00047622 8.4514e+05 2024-05-09 04:49:20,100 INFO [main.py:798]
{rank 0/64} MD step = 484100 step time: 00:00:00.151213 Performance: 67.280 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:49:26,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484100 96820 60.036 -32554 6580 -39134 -39134 -0.00034288 -0.00076195 -0.00057146 8.4532e+05 2024-05-09 04:49:42,426 INFO [main.py:798]
{rank 0/64} MD step = 484200 step time: 00:00:00.156596 Performance: 67.282 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:49:50,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484200 96840 59.279 -32657 6497.1 -39154 -39154 0.00019049 -0.00045717 -0.00049527 8.4548e+05 2024-05-09 04:50:06,424 INFO [main.py:798]
{rank 0/64} MD step = 484300 step time: 00:00:00.156338 Performance: 67.283 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:50:12,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484300 96860 60.768 -32469 6660.3 -39130 -39130 0.00010477 -0.00045717 -0.00069528 8.4567e+05 2024-05-09 04:50:28,014 INFO [main.py:798]
{rank 0/64} MD step = 484400 step time: 00:00:00.134894 Performance: 67.285 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:50:34,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484400 96880 59.06 -32664 6473.1 -39138 -39138 -0.00037145 -0.00030002 -3.0954e-05 8.4584e+05 2024-05-09 04:50:50,438 INFO [main.py:798]
{rank 0/64} MD step = 484500 step time: 00:00:00.145073 Performance: 67.287 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:50:58,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484500 96900 60.935 -32342 6678.5 -39021 -39021 -0.00034288 -0.00022858 -1.9049e-05 8.46e+05 2024-05-09 04:51:13,887 INFO [main.py:798]
{rank 0/64} MD step = 484600 step time: 00:00:00.154212 Performance: 67.288 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:51:20,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484600 96920 60.127 -32548 6590 -39138 -39138 -0.00045717 -0.00055241 -0.00063813 8.4618e+05 2024-05-09 04:51:36,225 INFO [main.py:798]
{rank 0/64} MD step = 484700 step time: 00:00:00.143553 Performance: 67.290 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:51:44,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484700 96940 59.618 -32586 6534.2 -39121 -39121 -0.00026668 1.9049e-05 -0.00038097 8.4636e+05 2024-05-09 04:52:00,906 INFO [main.py:798]
{rank 0/64} MD step = 484800 step time: 00:00:00.167739 Performance: 67.290 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:52:07,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484800 96960 59.979 -32557 6573.8 -39131 -39131 -0.00024763 -4.7622e-05 -0.00068575 8.4656e+05 2024-05-09 04:52:23,597 INFO [main.py:798]
{rank 0/64} MD step = 484900 step time: 00:00:00.156850 Performance: 67.292 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:52:31,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484900 96980 60.265 -32635 6605.1 -39240 -39240 -0.00040002 -0.00034288 -0.00073814 8.467e+05 2024-05-09 04:52:47,124 INFO [main.py:798]
{rank 0/64} MD step = 485000 step time: 00:00:00.149894 Performance: 67.293 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:52:57,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485000 97000 59.474 -32785 6518.4 -39303 -39303 -0.00033335 -0.00032383 -0.00019049 8.469e+05 2024-05-09 04:53:13,340 INFO [main.py:798]
{rank 0/64} MD step = 485100 step time: 00:00:00.153218 Performance: 67.293 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:53:20,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485100 97020 60.076 -32564 6584.4 -39148 -39148 -0.00049527 -0.0003524 -0.00068575 8.4706e+05 2024-05-09 04:53:39,516 INFO [main.py:798]
{rank 0/64} MD step = 485200 step time: 00:00:00.155599 Performance: 67.293 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:53:47,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485200 97040 59.73 -32564 6546.4 -39110 -39110 -0.00043812 -0.00038574 -0.00045717 8.4724e+05 2024-05-09 04:54:02,839 INFO [main.py:798]
{rank 0/64} MD step = 485300 step time: 00:00:00.156564 Performance: 67.294 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:54:09,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485300 97060 60.017 -32435 6577.9 -39013 -39013 -0.00049527 -0.00030478 -0.00022858 8.4742e+05 2024-05-09 04:54:26,787 INFO [main.py:798]
{rank 0/64} MD step = 485400 step time: 00:00:00.161075 Performance: 67.295 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:54:35,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485400 97080 59.381 -32622 6508.2 -39130 -39130 -0.00024763 -0.00037145 -0.00060003 8.476e+05 2024-05-09 04:54:50,557 INFO [main.py:798]
{rank 0/64} MD step = 485500 step time: 00:00:00.151908 Performance: 67.296 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:54:56,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485500 97100 61.039 -32475 6690 -39165 -39165 -0.00043812 -0.00036193 -0.00056194 8.4773e+05 2024-05-09 04:55:13,010 INFO [main.py:798]
{rank 0/64} MD step = 485600 step time: 00:00:00.157797 Performance: 67.298 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:55:18,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485600 97120 60.402 -32701 6620.1 -39321 -39321 -0.00020954 -0.00022858 -0.00057146 8.4789e+05 2024-05-09 04:55:34,859 INFO [main.py:798]
{rank 0/64} MD step = 485700 step time: 00:00:00.159231 Performance: 67.300 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:55:40,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485700 97140 60.094 -32598 6586.3 -39184 -39184 -0.00030478 -0.00049527 -0.00056194 8.481e+05 2024-05-09 04:55:56,095 INFO [main.py:798]
{rank 0/64} MD step = 485800 step time: 00:00:00.155580 Performance: 67.302 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:56:00,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485800 97160 59.819 -32748 6556.3 -39304 -39304 -0.00049527 -0.00049527 -0.00045717 8.4827e+05 2024-05-09 04:56:16,743 INFO [main.py:798]
{rank 0/64} MD step = 485900 step time: 00:00:00.153853 Performance: 67.305 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:56:24,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485900 97180 58.881 -32651 6453.5 -39104 -39104 -0.0005286 -0.00043812 -0.00019049 8.4847e+05 2024-05-09 04:56:40,675 INFO [main.py:798]
{rank 0/64} MD step = 486000 step time: 00:00:00.157056 Performance: 67.306 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:56:46,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486000 97200 60.196 -32429 6597.6 -39027 -39027 -0.00046669 -0.00033335 -5.7146e-05 8.4865e+05 2024-05-09 04:57:01,994 INFO [main.py:798]
{rank 0/64} MD step = 486100 step time: 00:00:00.153650 Performance: 67.308 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:57:08,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486100 97220 59.388 -32600 6509 -39109 -39109 -0.00022858 -0.00044764 -0.00013334 8.4884e+05 2024-05-09 04:57:24,781 INFO [main.py:798]
{rank 0/64} MD step = 486200 step time: 00:00:00.139638 Performance: 67.310 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:57:31,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486200 97240 60.816 -32485 6665.6 -39150 -39150 -3.3335e-05 -0.00029525 -0.00028573 8.4899e+05 2024-05-09 04:57:47,069 INFO [main.py:798]
{rank 0/64} MD step = 486300 step time: 00:00:00.148250 Performance: 67.312 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:57:54,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486300 97260 60.448 -32579 6625.2 -39205 -39205 -0.00043812 -0.00024763 7.6195e-05 8.4912e+05 2024-05-09 04:58:09,792 INFO [main.py:798]
{rank 0/64} MD step = 486400 step time: 00:00:00.151882 Performance: 67.313 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 04:58:15,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486400 97280 60.699 -32524 6652.7 -39176 -39176 -0.00024287 -0.00036193 -0.00053336 8.4932e+05 2024-05-09 04:58:31,626 INFO [main.py:798]
{rank 0/64} MD step = 486500 step time: 00:00:00.139360 Performance: 67.315 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 04:58:37,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486500 97300 60.783 -32646 6661.9 -39308 -39308 0.00020954 -0.00038097 -0.0006667 8.4949e+05 2024-05-09 04:58:53,526 INFO [main.py:798]
{rank 0/64} MD step = 486600 step time: 00:00:00.135578 Performance: 67.317 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 04:58:59,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486600 97320 59.995 -32535 6575.5 -39110 -39110 -0.00036193 -0.00032383 -0.00059051 8.497e+05 2024-05-09 04:59:15,471 INFO [main.py:798]
{rank 0/64} MD step = 486700 step time: 00:00:00.158170 Performance: 67.319 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 04:59:23,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486700 97340 59.626 -32460 6535.1 -38995 -38995 -0.00028097 -0.00048574 -0.00019049 8.4987e+05 2024-05-09 04:59:38,967 INFO [main.py:798]
{rank 0/64} MD step = 486800 step time: 00:00:00.143931 Performance: 67.320 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 04:59:44,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486800 97360 59.764 -32688 6550.2 -39238 -39238 -0.00020954 -0.00038097 -0.00010477 8.5005e+05 2024-05-09 05:00:00,759 INFO [main.py:798]
{rank 0/64} MD step = 486900 step time: 00:00:00.153247 Performance: 67.322 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:00:05,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486900 97380 59.668 -32704 6539.7 -39243 -39243 -0.00044764 -0.00049527 -0.00017144 8.5019e+05 2024-05-09 05:00:23,168 INFO [main.py:798]
{rank 0/64} MD step = 487000 step time: 00:00:00.158000 Performance: 67.324 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:00:36,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487000 97400 59.77 -32648 6550.9 -39199 -39199 0.00015239 -0.00044764 -0.00060956 8.5038e+05 2024-05-09 05:00:50,930 INFO [main.py:798]
{rank 0/64} MD step = 487100 step time: 00:00:00.166969 Performance: 67.323 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:01:01,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487100 97420 60.774 -32528 6661 -39189 -39189 -0.0003524 -0.00038097 -0.00072385 8.5055e+05 2024-05-09 05:01:17,775 INFO [main.py:798]
{rank 0/64} MD step = 487200 step time: 00:00:00.161380 Performance: 67.322 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:01:32,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487200 97440 60.035 -32594 6579.9 -39174 -39174 -0.00035716 -0.00043812 -0.00015239 8.5072e+05 2024-05-09 05:01:48,533 INFO [main.py:798]
{rank 0/64} MD step = 487300 step time: 00:00:00.161221 Performance: 67.320 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 05:01:55,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487300 97460 59.595 -32632 6531.6 -39163 -39163 -0.00025716 -0.00015239 -0.00021906 8.5091e+05 2024-05-09 05:02:10,737 INFO [main.py:798]
{rank 0/64} MD step = 487400 step time: 00:00:00.146108 Performance: 67.322 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:02:16,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487400 97480 59.698 -32688 6542.9 -39231 -39231 -0.00030478 -0.00054289 -0.00052384 8.5106e+05 2024-05-09 05:02:32,783 INFO [main.py:798]
{rank 0/64} MD step = 487500 step time: 00:00:00.166132 Performance: 67.324 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:02:38,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487500 97500 60.31 -32336 6610 -38946 -38946 -0.00038097 -0.00024287 0.00011429 8.5127e+05 2024-05-09 05:02:53,978 INFO [main.py:798]
{rank 0/64} MD step = 487600 step time: 00:00:00.159548 Performance: 67.326 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:02:59,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487600 97520 58.789 -32758 6443.3 -39201 -39201 -0.00045717 -0.00045717 -2.8573e-05 8.5139e+05 2024-05-09 05:03:14,922 INFO [main.py:798]
{rank 0/64} MD step = 487700 step time: 00:00:00.154141 Performance: 67.328 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:03:21,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487700 97540 60.121 -32601 6589.3 -39190 -39190 -0.00010477 -0.00022858 -0.00053336 8.5153e+05 2024-05-09 05:03:37,233 INFO [main.py:798]
{rank 0/64} MD step = 487800 step time: 00:00:00.163817 Performance: 67.330 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:03:41,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487800 97560 60.993 -32502 6684.9 -39187 -39187 -0.00041907 -0.00036193 -0.00024763 8.5174e+05 2024-05-09 05:04:02,667 INFO [main.py:798]
{rank 0/64} MD step = 487900 step time: 00:00:00.152034 Performance: 67.330 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:04:08,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487900 97580 59.584 -32594 6530.4 -39124 -39124 -0.00019049 -0.00038097 -2.8573e-05 8.5194e+05 2024-05-09 05:04:24,502 INFO [main.py:798]
{rank 0/64} MD step = 488000 step time: 00:00:00.151529 Performance: 67.332 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:04:30,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488000 97600 60.39 -32510 6618.8 -39129 -39129 -0.00025716 -0.00036669 -0.00054765 8.521e+05 2024-05-09 05:04:46,504 INFO [main.py:798]
{rank 0/64} MD step = 488100 step time: 00:00:00.155741 Performance: 67.334 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:04:49,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488100 97620 60.272 -32479 6605.9 -39085 -39085 -0.00029525 -0.00034288 -0.00015001 8.5228e+05 2024-05-09 05:05:08,089 INFO [main.py:798]
{rank 0/64} MD step = 488200 step time: 00:00:00.157289 Performance: 67.337 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:05:19,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488200 97640 60.299 -32614 6608.8 -39223 -39223 0.00017144 -0.00062861 7.6195e-05 8.5242e+05 2024-05-09 05:05:35,171 INFO [main.py:798]
{rank 0/64} MD step = 488300 step time: 00:00:00.159945 Performance: 67.336 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:05:42,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488300 97660 60.389 -32713 6618.7 -39332 -39332 -0.00034288 -0.00045717 0 8.5258e+05 2024-05-09 05:05:57,670 INFO [main.py:798]
{rank 0/64} MD step = 488400 step time: 00:00:00.160278 Performance: 67.338 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:06:04,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488400 97680 60.646 -32573 6646.9 -39220 -39220 -0.00050479 -0.00049527 -0.00063099 8.5279e+05 2024-05-09 05:06:20,105 INFO [main.py:798]
{rank 0/64} MD step = 488500 step time: 00:00:00.155778 Performance: 67.339 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:06:24,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488500 97700 59.572 -32755 6529.2 -39284 -39284 -0.00022858 -0.00051431 -0.00059051 8.5295e+05 2024-05-09 05:06:41,321 INFO [main.py:798]
{rank 0/64} MD step = 488600 step time: 00:00:00.161827 Performance: 67.342 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:06:46,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488600 97720 59.746 -32608 6548.3 -39156 -39156 -0.00053336 -0.00045717 -0.00049527 8.5317e+05 2024-05-09 05:07:01,988 INFO [main.py:798]
{rank 0/64} MD step = 488700 step time: 00:00:00.159206 Performance: 67.344 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:07:06,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488700 97740 60.069 -32553 6583.6 -39137 -39137 -0.00040955 -0.00037621 -0.00049527 8.5336e+05 2024-05-09 05:07:22,517 INFO [main.py:798]
{rank 0/64} MD step = 488800 step time: 00:00:00.159501 Performance: 67.347 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:07:28,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488800 97760 60.157 -32522 6593.3 -39115 -39115 -0.00041907 -0.00041907 -5.7146e-05 8.5351e+05 2024-05-09 05:07:43,653 INFO [main.py:798]
{rank 0/64} MD step = 488900 step time: 00:00:00.150545 Performance: 67.350 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:07:49,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488900 97780 60.104 -32543 6587.5 -39130 -39130 -0.00015239 -0.00041907 -0.00043812 8.5369e+05 2024-05-09 05:08:04,529 INFO [main.py:798]
{rank 0/64} MD step = 489000 step time: 00:00:00.148328 Performance: 67.352 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:08:11,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489000 97800 60.37 -32426 6616.6 -39043 -39043 -0.00029049 -0.00034288 -0.00057146 8.5388e+05 2024-05-09 05:08:26,814 INFO [main.py:798]
{rank 0/64} MD step = 489100 step time: 00:00:00.144429 Performance: 67.354 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:08:32,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489100 97820 59.693 -32586 6542.5 -39128 -39128 -0.00040002 -0.00056194 -0.00059051 8.5406e+05 2024-05-09 05:08:48,331 INFO [main.py:798]
{rank 0/64} MD step = 489200 step time: 00:00:00.159952 Performance: 67.356 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:08:54,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489200 97840 59.981 -32674 6574 -39248 -39248 -0.00044764 -0.00036193 -0.00055241 8.542e+05 2024-05-09 05:09:09,965 INFO [main.py:798]
{rank 0/64} MD step = 489300 step time: 00:00:00.158324 Performance: 67.358 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:09:15,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489300 97860 59.879 -32673 6562.8 -39236 -39236 -0.00053336 -0.00045717 -0.00061908 8.5437e+05 2024-05-09 05:09:31,699 INFO [main.py:798]
{rank 0/64} MD step = 489400 step time: 00:00:00.154633 Performance: 67.360 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:09:37,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489400 97880 60.15 -32659 6592.5 -39252 -39252 -0.00043812 -0.00061908 -0.00019049 8.5454e+05 2024-05-09 05:09:53,151 INFO [main.py:798]
{rank 0/64} MD step = 489500 step time: 00:00:00.155146 Performance: 67.363 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:10:00,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489500 97900 60.27 -32519 6605.6 -39124 -39124 -0.00037145 -0.0006667 -0.00053336 8.5473e+05 2024-05-09 05:10:16,013 INFO [main.py:798]
{rank 0/64} MD step = 489600 step time: 00:00:00.141421 Performance: 67.364 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:10:27,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489600 97920 59.924 -32690 6567.8 -39257 -39257 -0.00051908 -0.00020954 -0.00041907 8.549e+05 2024-05-09 05:10:42,521 INFO [main.py:798]
{rank 0/64} MD step = 489700 step time: 00:00:00.154763 Performance: 67.364 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:11:02,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489700 97940 60.458 -32471 6626.3 -39097 -39097 -0.00034288 -0.00041907 0.00011429 8.5508e+05 2024-05-09 05:11:17,567 INFO [main.py:798]
{rank 0/64} MD step = 489800 step time: 00:00:00.156284 Performance: 67.359 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:11:24,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489800 97960 59.88 -32745 6562.9 -39308 -39308 -0.00013334 -0.00041907 -0.00028573 8.5524e+05 2024-05-09 05:11:38,863 INFO [main.py:798]
{rank 0/64} MD step = 489900 step time: 00:00:00.153604 Performance: 67.361 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:11:44,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489900 97980 60.135 -32602 6590.9 -39192 -39192 -0.00032383 0.00015239 -0.00052384 8.5542e+05 2024-05-09 05:11:59,832 INFO [main.py:798]
{rank 0/64} MD step = 490000 step time: 00:00:00.132913 Performance: 67.364 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:12:26,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490000 98000 59.536 -32622 6525.2 -39148 -39148 -0.00028573 -0.00022858 -0.00034288 8.5559e+05 2024-05-09 05:12:42,338 INFO [main.py:798]
{rank 0/64} MD step = 490100 step time: 00:00:00.141655 Performance: 67.354 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:13:14,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490100 98020 60.755 -32558 6658.9 -39217 -39217 -0.00020954 -0.00068575 -0.00014287 8.5575e+05 2024-05-09 05:13:29,610 INFO [main.py:798]
{rank 0/64} MD step = 490200 step time: 00:00:00.156783 Performance: 67.343 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:13:37,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490200 98040 60.541 -32443 6635.4 -39078 -39078 -0.00038097 -0.00052384 -0.00053336 8.5593e+05 2024-05-09 05:13:52,784 INFO [main.py:798]
{rank 0/64} MD step = 490300 step time: 00:00:00.158714 Performance: 67.344 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:14:00,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490300 98060 58.94 -32756 6459.9 -39216 -39216 -0.00015239 -0.00071433 -0.0002524 8.5612e+05 2024-05-09 05:14:16,390 INFO [main.py:798]
{rank 0/64} MD step = 490400 step time: 00:00:00.162161 Performance: 67.345 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:14:22,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490400 98080 60.16 -32669 6593.6 -39263 -39263 -0.0003524 -0.00045241 -0.00045717 8.5626e+05 2024-05-09 05:14:37,578 INFO [main.py:798]
{rank 0/64} MD step = 490500 step time: 00:00:00.166711 Performance: 67.348 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:14:43,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490500 98100 60.996 -32527 6685.3 -39212 -39212 -0.00015239 -0.0003524 -0.00057146 8.5644e+05 2024-05-09 05:14:58,450 INFO [main.py:798]
{rank 0/64} MD step = 490600 step time: 00:00:00.160919 Performance: 67.350 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:15:03,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490600 98120 59.486 -32759 6519.8 -39279 -39279 -0.00019049 -0.00044764 -0.00064766 8.5661e+05 2024-05-09 05:15:20,253 INFO [main.py:798]
{rank 0/64} MD step = 490700 step time: 00:00:00.159735 Performance: 67.352 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:15:26,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490700 98140 59.783 -32681 6552.3 -39233 -39233 -0.00033335 -0.00050479 -0.00064766 8.5682e+05 2024-05-09 05:15:42,315 INFO [main.py:798]
{rank 0/64} MD step = 490800 step time: 00:00:00.154656 Performance: 67.354 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:15:50,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490800 98160 59.987 -32579 6574.6 -39154 -39154 -0.00023811 -0.00030478 -0.00030478 8.5698e+05 2024-05-09 05:16:06,267 INFO [main.py:798]
{rank 0/64} MD step = 490900 step time: 00:00:00.158273 Performance: 67.355 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:16:13,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490900 98180 60.622 -32613 6644.3 -39257 -39257 -0.00034288 -0.00040002 -0.00028573 8.5714e+05 2024-05-09 05:16:28,968 INFO [main.py:798]
{rank 0/64} MD step = 491000 step time: 00:00:00.161519 Performance: 67.357 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:16:35,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491000 98200 60.746 -32519 6657.8 -39177 -39177 0.00026668 -0.00049527 -0.00015239 8.5736e+05 2024-05-09 05:16:50,252 INFO [main.py:798]
{rank 0/64} MD step = 491100 step time: 00:00:00.154897 Performance: 67.359 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:16:55,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491100 98220 61.75 -32459 6767.9 -39227 -39227 -0.0003905 -0.00032383 -0.00026668 8.5752e+05 2024-05-09 05:17:12,471 INFO [main.py:798]
{rank 0/64} MD step = 491200 step time: 00:00:00.164571 Performance: 67.361 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:17:18,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491200 98240 60.664 -32559 6648.8 -39208 -39208 -0.00026668 -0.00023811 -0.00017144 8.5767e+05 2024-05-09 05:17:33,701 INFO [main.py:798]
{rank 0/64} MD step = 491300 step time: 00:00:00.148963 Performance: 67.363 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:17:41,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491300 98260 61.502 -32274 6740.7 -39014 -39014 -0.00032383 -0.00022858 -0.00063813 8.5787e+05 2024-05-09 05:17:56,616 INFO [main.py:798]
{rank 0/64} MD step = 491400 step time: 00:00:00.143063 Performance: 67.365 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:18:02,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491400 98280 60.196 -32524 6597.6 -39122 -39122 -0.00049527 -0.00041907 -0.00019049 8.5805e+05 2024-05-09 05:18:18,605 INFO [main.py:798]
{rank 0/64} MD step = 491500 step time: 00:00:00.145954 Performance: 67.367 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:18:24,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491500 98300 59.52 -32651 6523.5 -39174 -39174 -0.00036193 -0.00049527 -0.00067623 8.5819e+05 2024-05-09 05:18:41,729 INFO [main.py:798]
{rank 0/64} MD step = 491600 step time: 00:00:00.151388 Performance: 67.368 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:18:47,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491600 98320 59.925 -32631 6567.9 -39199 -39199 -0.00027621 -0.00032383 -0.00045717 8.5836e+05 2024-05-09 05:19:03,094 INFO [main.py:798]
{rank 0/64} MD step = 491700 step time: 00:00:00.144978 Performance: 67.370 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:19:08,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491700 98340 59.836 -32576 6558.1 -39134 -39134 -0.00026668 -0.00049527 -0.00079052 8.5853e+05 2024-05-09 05:19:24,334 INFO [main.py:798]
{rank 0/64} MD step = 491800 step time: 00:00:00.147409 Performance: 67.373 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:19:29,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491800 98360 61.063 -32648 6692.6 -39341 -39341 -0.00029764 -0.00040002 -0.00051431 8.5865e+05 2024-05-09 05:19:45,721 INFO [main.py:798]
{rank 0/64} MD step = 491900 step time: 00:00:00.141795 Performance: 67.375 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:19:51,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491900 98380 61.107 -32492 6697.4 -39189 -39189 -0.00016191 -0.00044764 -0.00055241 8.5887e+05 2024-05-09 05:20:07,074 INFO [main.py:798]
{rank 0/64} MD step = 492000 step time: 00:00:00.146106 Performance: 67.377 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:20:12,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492000 98400 59.75 -32564 6548.6 -39112 -39112 0.00026668 -0.00057146 -0.00052384 8.5903e+05 2024-05-09 05:20:27,863 INFO [main.py:798]
{rank 0/64} MD step = 492100 step time: 00:00:00.153536 Performance: 67.380 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:20:32,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492100 98420 59.009 -32807 6467.4 -39274 -39274 0.00011429 -0.00040955 5.7146e-05 8.5921e+05 2024-05-09 05:20:50,256 INFO [main.py:798]
{rank 0/64} MD step = 492200 step time: 00:00:00.157039 Performance: 67.382 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:20:55,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492200 98440 60.508 -32592 6631.8 -39224 -39224 -0.00018572 -0.00050479 -0.00075242 8.594e+05 2024-05-09 05:21:11,506 INFO [main.py:798]
{rank 0/64} MD step = 492300 step time: 00:00:00.147706 Performance: 67.384 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:21:15,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492300 98460 60.262 -32627 6604.8 -39232 -39232 -7.6195e-05 -0.00027621 -0.00022858 8.5956e+05 2024-05-09 05:21:32,672 INFO [main.py:798]
{rank 0/64} MD step = 492400 step time: 00:00:00.149741 Performance: 67.386 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:21:38,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492400 98480 60.419 -32559 6622 -39181 -39181 -0.00041907 -0.00028573 -0.00068575 8.5976e+05 2024-05-09 05:21:54,922 INFO [main.py:798]
{rank 0/64} MD step = 492500 step time: 00:00:00.160312 Performance: 67.388 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:22:01,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492500 98500 59.982 -32626 6574.1 -39200 -39200 -0.00028573 -0.00043812 -0.00046669 8.5993e+05 2024-05-09 05:22:16,813 INFO [main.py:798]
{rank 0/64} MD step = 492600 step time: 00:00:00.157042 Performance: 67.390 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:22:25,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492600 98520 59.293 -32530 6498.6 -39028 -39028 -0.00029525 -0.00029525 -0.0006667 8.6015e+05 2024-05-09 05:22:40,548 INFO [main.py:798]
{rank 0/64} MD step = 492700 step time: 00:00:00.133640 Performance: 67.391 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:22:46,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492700 98540 60.275 -32592 6606.2 -39198 -39198 -0.00024763 -0.00045717 6.1908e-05 8.6029e+05 2024-05-09 05:23:01,469 INFO [main.py:798]
{rank 0/64} MD step = 492800 step time: 00:00:00.138663 Performance: 67.394 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:23:07,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492800 98560 59.419 -32767 6512.3 -39279 -39279 -0.00036193 -0.00038097 -0.00046669 8.6045e+05 2024-05-09 05:23:22,625 INFO [main.py:798]
{rank 0/64} MD step = 492900 step time: 00:00:00.145011 Performance: 67.396 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:23:26,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492900 98580 59.318 -32739 6501.3 -39240 -39240 9.5243e-05 -0.00048574 -0.00052384 8.6064e+05 2024-05-09 05:23:42,925 INFO [main.py:798]
{rank 0/64} MD step = 493000 step time: 00:00:00.153071 Performance: 67.399 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:23:48,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493000 98600 60.215 -32561 6599.7 -39161 -39161 0.00013334 -0.00060956 -0.00026668 8.6084e+05 2024-05-09 05:24:03,621 INFO [main.py:798]
{rank 0/64} MD step = 493100 step time: 00:00:00.155477 Performance: 67.402 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:24:09,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493100 98620 59.772 -32648 6551.1 -39199 -39199 -0.00019049 -0.00030478 -0.00028573 8.6098e+05 2024-05-09 05:24:23,382 INFO [main.py:798]
{rank 0/64} MD step = 493200 step time: 00:00:00.151986 Performance: 67.405 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:24:28,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493200 98640 59.999 -32607 6576 -39183 -39183 -0.0003524 -0.00036193 -0.00049527 8.6118e+05 2024-05-09 05:24:43,659 INFO [main.py:798]
{rank 0/64} MD step = 493300 step time: 00:00:00.144905 Performance: 67.408 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:24:49,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493300 98660 59.469 -32664 6517.8 -39182 -39182 -0.0003905 -0.0006667 -0.00049527 8.6135e+05 2024-05-09 05:25:03,918 INFO [main.py:798]
{rank 0/64} MD step = 493400 step time: 00:00:00.153785 Performance: 67.410 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:25:09,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493400 98680 60.065 -32515 6583.2 -39098 -39098 7.6195e-05 -0.00038097 -0.00059051 8.6154e+05 2024-05-09 05:25:24,327 INFO [main.py:798]
{rank 0/64} MD step = 493500 step time: 00:00:00.155049 Performance: 67.413 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:25:30,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493500 98700 60.025 -32593 6578.8 -39172 -39172 -0.00038097 -0.00049527 -0.00049527 8.617e+05 2024-05-09 05:25:44,871 INFO [main.py:798]
{rank 0/64} MD step = 493600 step time: 00:00:00.156665 Performance: 67.416 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:25:50,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493600 98720 60.086 -32703 6585.5 -39289 -39289 -0.00022858 -0.00032383 -0.00060956 8.6189e+05 2024-05-09 05:26:04,638 INFO [main.py:798]
{rank 0/64} MD step = 493700 step time: 00:00:00.146824 Performance: 67.419 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:26:10,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493700 98740 60.019 -32656 6578.2 -39234 -39234 -0.00022858 -0.00051431 -0.00015239 8.6207e+05 2024-05-09 05:26:24,546 INFO [main.py:798]
{rank 0/64} MD step = 493800 step time: 00:00:00.143702 Performance: 67.422 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:26:30,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493800 98760 59.943 -32666 6569.9 -39236 -39236 -0.00041907 -0.00040002 -0.00080957 8.6226e+05 2024-05-09 05:26:44,977 INFO [main.py:798]
{rank 0/64} MD step = 493900 step time: 00:00:00.141826 Performance: 67.425 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:26:51,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493900 98780 60.007 -32744 6576.8 -39320 -39320 -0.00041907 -0.00028573 -0.00040002 8.6244e+05 2024-05-09 05:27:06,191 INFO [main.py:798]
{rank 0/64} MD step = 494000 step time: 00:00:00.146852 Performance: 67.427 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:27:12,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494000 98800 60.593 -32720 6641.1 -39361 -39361 -0.00032859 -0.00047622 -0.00049527 8.626e+05 2024-05-09 05:27:26,902 INFO [main.py:798]
{rank 0/64} MD step = 494100 step time: 00:00:00.139154 Performance: 67.430 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:27:32,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494100 98820 59.936 -32619 6569.1 -39188 -39188 -0.00041907 -0.00025716 -0.00068575 8.628e+05 2024-05-09 05:27:47,272 INFO [main.py:798]
{rank 0/64} MD step = 494200 step time: 00:00:00.138000 Performance: 67.433 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:27:52,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494200 98840 59.772 -32662 6551.1 -39213 -39213 -0.00011429 -0.00026668 0 8.6296e+05 2024-05-09 05:28:06,833 INFO [main.py:798]
{rank 0/64} MD step = 494300 step time: 00:00:00.141573 Performance: 67.436 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:28:12,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494300 98860 59.735 -32671 6547.1 -39218 -39218 -0.00028573 -0.00045717 -0.00045717 8.6312e+05 2024-05-09 05:28:26,490 INFO [main.py:798]
{rank 0/64} MD step = 494400 step time: 00:00:00.141606 Performance: 67.439 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:28:31,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494400 98880 60.39 -32496 6618.8 -39115 -39115 -0.00022858 -0.00045717 -0.00021906 8.6333e+05 2024-05-09 05:28:46,142 INFO [main.py:798]
{rank 0/64} MD step = 494500 step time: 00:00:00.141743 Performance: 67.442 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:28:51,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494500 98900 59.616 -32758 6534 -39292 -39292 -0.00026668 -0.0004286 -0.00034288 8.6348e+05 2024-05-09 05:29:06,108 INFO [main.py:798]
{rank 0/64} MD step = 494600 step time: 00:00:00.136231 Performance: 67.445 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:29:11,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494600 98920 60.514 -32525 6632.4 -39157 -39157 -0.00051431 -0.00040478 -0.00057146 8.6368e+05 2024-05-09 05:29:29,710 INFO [main.py:798]
{rank 0/64} MD step = 494700 step time: 00:00:00.137041 Performance: 67.446 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:29:35,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494700 98940 59.951 -32699 6570.7 -39270 -39270 7.6195e-05 -0.0006667 -0.00045717 8.6382e+05 2024-05-09 05:29:49,787 INFO [main.py:798]
{rank 0/64} MD step = 494800 step time: 00:00:00.146806 Performance: 67.449 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:29:53,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494800 98960 60.249 -32477 6603.4 -39081 -39081 -0.00049527 -0.00051431 -0.00026668 8.6408e+05 2024-05-09 05:30:09,727 INFO [main.py:798]
{rank 0/64} MD step = 494900 step time: 00:00:00.137342 Performance: 67.452 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:30:15,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494900 98980 60.657 -32306 6648 -38954 -38954 -0.00026668 -0.00072861 -7.6195e-05 8.6425e+05 2024-05-09 05:30:29,924 INFO [main.py:798]
{rank 0/64} MD step = 495000 step time: 00:00:00.137029 Performance: 67.455 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:30:36,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495000 99000 59.914 -32702 6566.6 -39268 -39268 -3.8097e-05 -0.00047622 -0.00064766 8.6436e+05 2024-05-09 05:30:51,055 INFO [main.py:798]
{rank 0/64} MD step = 495100 step time: 00:00:00.133077 Performance: 67.458 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:30:58,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495100 99020 59.534 -32663 6525 -39188 -39188 -3.8097e-05 -0.00038097 -0.00013334 8.6454e+05 2024-05-09 05:31:15,017 INFO [main.py:798]
{rank 0/64} MD step = 495200 step time: 00:00:00.133652 Performance: 67.458 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:31:20,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495200 99040 60.996 -32523 6685.2 -39208 -39208 -0.00026668 -0.00053336 -9.5243e-06 8.6473e+05 2024-05-09 05:31:34,870 INFO [main.py:798]
{rank 0/64} MD step = 495300 step time: 00:00:00.136677 Performance: 67.461 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:31:41,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495300 99060 59.745 -32808 6548.1 -39356 -39356 -0.00040002 -0.00043812 -0.0005667 8.649e+05 2024-05-09 05:31:55,897 INFO [main.py:798]
{rank 0/64} MD step = 495400 step time: 00:00:00.145611 Performance: 67.464 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:32:03,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495400 99080 60.112 -32691 6588.4 -39279 -39279 -0.00019049 -0.00047146 -0.00068575 8.6508e+05 2024-05-09 05:32:17,451 INFO [main.py:798]
{rank 0/64} MD step = 495500 step time: 00:00:00.145316 Performance: 67.466 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:32:24,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495500 99100 60.26 -32533 6604.5 -39137 -39137 -0.00030478 -0.00036193 -0.00010001 8.6529e+05 2024-05-09 05:32:38,970 INFO [main.py:798]
{rank 0/64} MD step = 495600 step time: 00:00:00.142774 Performance: 67.468 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:32:46,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495600 99120 59.703 -32539 6543.6 -39082 -39082 -0.00064766 -0.00060003 -1.9049e-05 8.6544e+05 2024-05-09 05:33:01,063 INFO [main.py:798]
{rank 0/64} MD step = 495700 step time: 00:00:00.142448 Performance: 67.470 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:33:11,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495700 99140 59.44 -32588 6514.7 -39102 -39102 -9.5243e-05 -0.00041907 -0.00022858 8.6563e+05 2024-05-09 05:33:26,099 INFO [main.py:798]
{rank 0/64} MD step = 495800 step time: 00:00:00.151899 Performance: 67.470 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:33:32,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495800 99160 60.223 -32623 6600.5 -39224 -39224 -0.00030478 -0.00040002 -0.00030478 8.6574e+05 2024-05-09 05:33:48,257 INFO [main.py:798]
{rank 0/64} MD step = 495900 step time: 00:00:00.162811 Performance: 67.472 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:33:55,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495900 99180 59.742 -32614 6547.8 -39162 -39162 -0.00034288 -0.00040002 -0.00080005 8.6595e+05 2024-05-09 05:34:10,105 INFO [main.py:798]
{rank 0/64} MD step = 496000 step time: 00:00:00.135472 Performance: 67.474 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:34:16,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496000 99200 60.269 -32448 6605.5 -39054 -39054 3.8097e-05 -0.00054289 -0.00022858 8.6613e+05 2024-05-09 05:34:31,276 INFO [main.py:798]
{rank 0/64} MD step = 496100 step time: 00:00:00.132631 Performance: 67.477 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:34:37,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496100 99220 60.049 -32491 6581.4 -39072 -39072 -0.00033335 -0.00049527 -7.6195e-05 8.6631e+05 2024-05-09 05:34:55,357 INFO [main.py:798]
{rank 0/64} MD step = 496200 step time: 00:00:00.132747 Performance: 67.477 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:35:00,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496200 99240 59.699 -32690 6543.1 -39233 -39233 -0.00034288 -0.00020954 -0.00049527 8.6645e+05 2024-05-09 05:35:14,864 INFO [main.py:798]
{rank 0/64} MD step = 496300 step time: 00:00:00.132277 Performance: 67.481 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:35:20,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496300 99260 60.628 -32463 6644.9 -39108 -39108 -0.00015239 -0.00045717 -0.00063813 8.6664e+05 2024-05-09 05:35:38,193 INFO [main.py:798]
{rank 0/64} MD step = 496400 step time: 00:00:00.138253 Performance: 67.482 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:35:47,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496400 99280 59.85 -32719 6559.6 -39279 -39279 -0.00038097 -0.00049527 -0.00080005 8.6682e+05 2024-05-09 05:36:01,922 INFO [main.py:798]
{rank 0/64} MD step = 496500 step time: 00:00:00.136845 Performance: 67.483 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:36:08,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496500 99300 59.981 -32608 6574 -39182 -39182 -0.00014287 -0.00026192 0 8.6701e+05 2024-05-09 05:36:22,422 INFO [main.py:798]
{rank 0/64} MD step = 496600 step time: 00:00:00.137424 Performance: 67.486 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:36:28,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496600 99320 59.843 -32694 6558.9 -39253 -39253 -0.00024763 -0.0004286 -0.00017144 8.6716e+05 2024-05-09 05:36:42,737 INFO [main.py:798]
{rank 0/64} MD step = 496700 step time: 00:00:00.137593 Performance: 67.488 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:36:50,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496700 99340 60.225 -32542 6600.7 -39142 -39142 -0.00010001 -0.00049527 -0.00033335 8.6731e+05 2024-05-09 05:37:04,989 INFO [main.py:798]
{rank 0/64} MD step = 496800 step time: 00:00:00.137997 Performance: 67.490 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:37:11,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496800 99360 59.706 -32596 6543.8 -39140 -39140 -0.0003905 -0.00050479 -0.00011429 8.6748e+05 2024-05-09 05:37:25,832 INFO [main.py:798]
{rank 0/64} MD step = 496900 step time: 00:00:00.143381 Performance: 67.493 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:37:32,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496900 99380 60.492 -32478 6630 -39108 -39108 -0.00015239 -0.00052384 -0.00010001 8.6765e+05 2024-05-09 05:37:46,338 INFO [main.py:798]
{rank 0/64} MD step = 497000 step time: 00:00:00.141344 Performance: 67.495 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:37:51,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497000 99400 59.64 -32645 6536.7 -39181 -39181 -0.00030478 -0.00041907 -0.00036193 8.6784e+05 2024-05-09 05:38:07,521 INFO [main.py:798]
{rank 0/64} MD step = 497100 step time: 00:00:00.151119 Performance: 67.498 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:38:13,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497100 99420 59.93 -32509 6568.4 -39078 -39078 -0.00045717 -0.00034288 -0.00057384 8.6803e+05 2024-05-09 05:38:27,902 INFO [main.py:798]
{rank 0/64} MD step = 497200 step time: 00:00:00.142429 Performance: 67.501 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:38:33,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497200 99440 60.412 -32600 6621.3 -39222 -39222 -0.00045717 -0.00030478 -0.00056194 8.6817e+05 2024-05-09 05:38:48,217 INFO [main.py:798]
{rank 0/64} MD step = 497300 step time: 00:00:00.153418 Performance: 67.503 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:38:55,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497300 99460 59.81 -32645 6555.3 -39200 -39200 -0.00025716 -0.00037859 -0.00055241 8.684e+05 2024-05-09 05:39:12,373 INFO [main.py:798]
{rank 0/64} MD step = 497400 step time: 00:00:00.138081 Performance: 67.504 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:39:19,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497400 99480 59.974 -32648 6573.2 -39221 -39221 0.00026668 -0.00015239 -0.00060956 8.6855e+05 2024-05-09 05:39:33,923 INFO [main.py:798]
{rank 0/64} MD step = 497500 step time: 00:00:00.146133 Performance: 67.506 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-09 05:39:40,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497500 99500 59.706 -32555 6543.9 -39099 -39099 -0.00034288 -0.00049527 -0.00059051 8.6874e+05 2024-05-09 05:39:54,756 INFO [main.py:798]
{rank 0/64} MD step = 497600 step time: 00:00:00.136758 Performance: 67.509 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-09 05:39:58,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497600 99520 60.015 -32549 6577.7 -39126 -39126 -0.00045717 -0.00055241 0 8.6892e+05 2024-05-09 05:40:15,392 INFO [main.py:798]
{rank 0/64} MD step = 497700 step time: 00:00:00.146435 Performance: 67.511 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 05:40:21,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497700 99540 60.05 -32457 6581.6 -39038 -39038 -0.00024763 -0.00038097 -0.00020954 8.6913e+05 2024-05-09 05:40:35,602 INFO [main.py:798]
{rank 0/64} MD step = 497800 step time: 00:00:00.175821 Performance: 67.514 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 05:40:41,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497800 99560 60.035 -32652 6579.9 -39232 -39232 -0.00040002 -0.00030478 -0.00045717 8.6926e+05 2024-05-09 05:40:56,229 INFO [main.py:798]
{rank 0/64} MD step = 497900 step time: 00:00:00.148699 Performance: 67.517 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 05:41:02,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497900 99580 60.515 -32520 6632.5 -39152 -39152 -0.00027621 -0.00049527 -0.00010477 8.6943e+05 2024-05-09 05:41:16,461 INFO [main.py:798]
{rank 0/64} MD step = 498000 step time: 00:00:00.144636 Performance: 67.520 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 05:41:22,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498000 99600 60.59 -32454 6640.8 -39095 -39095 -0.00049527 -0.00041907 -0.00053336 8.6962e+05 2024-05-09 05:41:37,179 INFO [main.py:798]
{rank 0/64} MD step = 498100 step time: 00:00:00.143993 Performance: 67.522 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:41:42,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498100 99620 59.699 -32597 6543.1 -39140 -39140 -7.6195e-05 -0.00036193 -0.00055241 8.6978e+05 2024-05-09 05:41:56,787 INFO [main.py:798]
{rank 0/64} MD step = 498200 step time: 00:00:00.148702 Performance: 67.525 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:42:02,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498200 99640 60.197 -32577 6597.6 -39175 -39175 -0.00045717 -0.00024763 -0.00041907 8.6996e+05 2024-05-09 05:42:19,483 INFO [main.py:798]
{rank 0/64} MD step = 498300 step time: 00:00:00.149470 Performance: 67.527 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:42:24,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498300 99660 59.231 -32571 6491.7 -39063 -39063 -0.00041431 -0.00032383 -0.00011429 8.7012e+05 2024-05-09 05:42:40,329 INFO [main.py:798]
{rank 0/64} MD step = 498400 step time: 00:00:00.137311 Performance: 67.530 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:42:46,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498400 99680 59.942 -32532 6569.7 -39102 -39102 -0.00062861 -0.00026668 -9.5243e-05 8.7029e+05 2024-05-09 05:43:00,035 INFO [main.py:798]
{rank 0/64} MD step = 498500 step time: 00:00:00.142179 Performance: 67.533 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:43:06,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498500 99700 59.196 -32703 6487.9 -39191 -39191 -0.00034288 -0.00054289 -0.00057146 8.7046e+05 2024-05-09 05:43:19,636 INFO [main.py:798]
{rank 0/64} MD step = 498600 step time: 00:00:00.137020 Performance: 67.536 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:43:25,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498600 99720 60.514 -32512 6632.5 -39145 -39145 -0.00051431 -0.0003405 -0.00064766 8.7063e+05 2024-05-09 05:43:39,451 INFO [main.py:798]
{rank 0/64} MD step = 498700 step time: 00:00:00.133928 Performance: 67.539 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:43:45,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498700 99740 59.475 -32547 6518.6 -39066 -39066 -0.00051431 -0.00030478 -0.00038097 8.7082e+05 2024-05-09 05:43:59,015 INFO [main.py:798]
{rank 0/64} MD step = 498800 step time: 00:00:00.134269 Performance: 67.542 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:44:05,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498800 99760 60.05 -32544 6581.6 -39125 -39125 -0.00028573 -0.00064766 3.8097e-05 8.71e+05 2024-05-09 05:44:18,779 INFO [main.py:798]
{rank 0/64} MD step = 498900 step time: 00:00:00.137967 Performance: 67.545 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:44:25,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498900 99780 60.027 -32559 6579.1 -39138 -39138 -0.00053336 -0.0004286 -0.00024763 8.7117e+05 2024-05-09 05:44:39,045 INFO [main.py:798]
{rank 0/64} MD step = 499000 step time: 00:00:00.137297 Performance: 67.548 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:44:44,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499000 99800 59.115 -32635 6479 -39114 -39114 -0.00049527 -0.00044288 -0.00016191 8.7134e+05 2024-05-09 05:44:58,160 INFO [main.py:798]
{rank 0/64} MD step = 499100 step time: 00:00:00.137253 Performance: 67.551 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:45:03,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499100 99820 60.356 -32404 6615.1 -39019 -39019 -0.00044288 -0.00053336 -6.667e-05 8.7152e+05 2024-05-09 05:45:17,292 INFO [main.py:798]
{rank 0/64} MD step = 499200 step time: 00:00:00.133482 Performance: 67.555 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:45:23,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499200 99840 60.668 -32431 6649.3 -39081 -39081 -0.00037145 -0.00047622 -0.00057146 8.7169e+05 2024-05-09 05:45:36,707 INFO [main.py:798]
{rank 0/64} MD step = 499300 step time: 00:00:00.132155 Performance: 67.558 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:45:44,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499300 99860 61.179 -32381 6705.3 -39086 -39086 -0.00049527 -0.00048574 -0.0003143 8.7185e+05 2024-05-09 05:45:58,077 INFO [main.py:798]
{rank 0/64} MD step = 499400 step time: 00:00:00.131809 Performance: 67.560 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:46:04,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499400 99880 59.261 -32639 6495.1 -39134 -39134 -0.00053336 -0.00043812 -0.00018096 8.7202e+05 2024-05-09 05:46:18,594 INFO [main.py:798]
{rank 0/64} MD step = 499500 step time: 00:00:00.137017 Performance: 67.563 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:46:25,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499500 99900 60.183 -32543 6596.1 -39140 -39140 -0.00047622 -0.00043812 -0.00083814 8.722e+05 2024-05-09 05:46:39,023 INFO [main.py:798]
{rank 0/64} MD step = 499600 step time: 00:00:00.132629 Performance: 67.566 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:46:46,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499600 99920 60.147 -32473 6592.2 -39065 -39065 -0.00038097 -0.00044764 -0.00036193 8.7238e+05 2024-05-09 05:47:00,313 INFO [main.py:798]
{rank 0/64} MD step = 499700 step time: 00:00:00.135235 Performance: 67.568 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:47:07,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499700 99940 59.865 -32494 6561.3 -39055 -39055 -0.00022858 -0.00057146 -0.00069528 8.7255e+05 2024-05-09 05:47:20,637 INFO [main.py:798]
{rank 0/64} MD step = 499800 step time: 00:00:00.137855 Performance: 67.571 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:47:27,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499800 99960 60.082 -32539 6585 -39124 -39124 -3.8097e-05 -0.0003143 0.00020954 8.7269e+05 2024-05-09 05:47:41,274 INFO [main.py:798]
{rank 0/64} MD step = 499900 step time: 00:00:00.140628 Performance: 67.573 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:47:54,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499900 99980 59.171 -32710 6485.3 -39196 -39196 -0.00043812 -0.00057146 -9.5243e-05 8.7284e+05 2024-05-09 05:48:07,798 INFO [main.py:798]
{rank 0/64} MD step = 500000 step time: 00:00:00.134726 Performance: 67.573 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:48:14,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 500000 1e+05 59.739 -32610 6547.4 -39158 -39158 -0.00059051 -0.00030478 -0.00045717 8.7302e+05 2024-05-09 05:48:15,078 INFO [main.py:1449]
{rank 0/64} Elapsed time: 1 days 11:31:29.726718 Setup time: 00:00:20.084006 MD loop time: 1 days 11:31:09.642712