2024-05-16 18:56:44,112 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. 2024-05-16 18:56:44,114 INFO [configure_runtime.py:200] {rank 0/64} Attempting to parse config file out_tempseries_test/a=11.60/T=90/config.tomli as .toml 2024-05-16 18:56:44,115 INFO [configure_runtime.py:222] {rank 0/64} Successfully parsed out_tempseries_test/a=11.60/T=90/config.tomli as .toml file 2024-05-16 18:56:44,115 INFO [configure_runtime.py:226] {rank 0/64} Config: /cluster/work/jobs/900357/out_tempseries_test/a=11.60/T=90/config.tomli -------------------------------------------------- n_steps: 500000 time_step: 0.2 mesh_size: [376, 376, 376] sigma: 0 kappa: 1000000 dtype: None box_size: [15.08, 15.08, 15.08] n_print: 100 tau: 0.01 start_temperature: 90 target_temperature: 90 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/jobs/900357/out_tempseries_test/a=11.60/T=90/config.tomli name: monoatomic fcc lattice tags: ['mono', 'crystal', 'lattice'] n_particles: 8788 max_molecule_size: 1 n_flush: 4 thermostat_work: 0.0 initial_energy: None cancel_com_momentum: False coulombtype: None convergence_type: None pol_mixing: None dielectric_const: None conv_crit: None dielectric_type: [] self_energy: None type_charges: [] rho0: None 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=11.60/T=90/config.tomli out_tempseries_test/a=11.60/T=90/input.h5 --logfile=log.txt --verbose 2 --velocity-output --destdir out_tempseries_test/a=11.60/T=90 --disable-bonds target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: H H: 1.0 2024-05-16 18:56:57,650 WARNING [input_parser.py:1152] {rank 0/64} config.n_b not specified.Defaulting to 1 2024-05-16 18:56:58,086 INFO [thermostat.py:36] {rank 0/64} Initialized 8788 velocities, target kinetic energy: 9864.111546197999, actual kinetic energy generated: 9864.11114297104 2024-05-16 18:57:09,450 INFO [main.py:252]
{rank 0/64} pfft-python processor mesh: (8, 8) 2024-05-16 18:57:50,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 90 -19268 9864.1 -29132 -29132 0.00022858 0.00094291 0.00082862 0 2024-05-16 18:57:50,009 INFO [main.py:766]
{rank 0/64} MD step = 1 2024-05-16 18:58:25,172 INFO [main.py:798]
{rank 0/64} MD step = 100 step time: 00:00:00.383524 Performance: 49.635 ns/day 0.484 hours/ns 2.872 steps/s 2024-05-16 18:59:45,935 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 90.541 -19161 9923.4 -29084 -29084 0.0012858 0.0033145 0.00015239 319.32 2024-05-16 19:00:22,166 INFO [main.py:798]
{rank 0/64} MD step = 200 step time: 00:00:00.352882 Performance: 22.827 ns/day 1.051 hours/ns 1.321 steps/s 2024-05-16 19:00:35,426 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 89.026 -19354 9757.4 -29111 -29111 0.0040764 0.0027811 -0.00095243 491.94 2024-05-16 19:01:12,929 INFO [main.py:798]
{rank 0/64} MD step = 300 step time: 00:00:00.336863 Performance: 25.632 ns/day 0.936 hours/ns 1.483 steps/s 2024-05-16 19:02:16,710 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 89.23 -19188 9779.7 -28968 -28968 0.0065527 0.0038669 0.00089529 723.25 2024-05-16 19:02:51,671 INFO [main.py:798]
{rank 0/64} MD step = 400 step time: 00:00:00.350278 Performance: 22.970 ns/day 1.045 hours/ns 1.329 steps/s 2024-05-16 19:03:09,969 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 90.423 -19082 9910.5 -28992 -28992 0.009791 0.0067051 -0.00051431 904.03 2024-05-16 19:03:48,526 INFO [main.py:798]
{rank 0/64} MD step = 500 step time: 00:00:00.354464 Performance: 24.147 ns/day 0.994 hours/ns 1.397 steps/s 2024-05-16 19:04:17,677 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 89.197 -19313 9776.1 -29089 -29089 0.013601 0.0074861 -0.001512 1088.1 2024-05-16 19:04:56,731 INFO [main.py:798]
{rank 0/64} MD step = 600 step time: 00:00:00.351511 Performance: 24.337 ns/day 0.986 hours/ns 1.408 steps/s 2024-05-16 19:05:59,648 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 89.605 -19064 9820.8 -28885 -28885 0.015925 0.010191 -0.0026287 1300.7 2024-05-16 19:06:44,258 INFO [main.py:798]
{rank 0/64} MD step = 700 step time: 00:00:00.352002 Performance: 22.673 ns/day 1.059 hours/ns 1.312 steps/s 2024-05-16 19:07:39,839 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 89.941 -19273 9857.7 -29131 -29131 0.018211 0.010767 -0.0038859 1458.8 2024-05-16 19:08:17,973 INFO [main.py:798]
{rank 0/64} MD step = 800 step time: 00:00:00.344179 Performance: 22.042 ns/day 1.089 hours/ns 1.276 steps/s 2024-05-16 19:08:31,388 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 90.56 -19009 9925.5 -28935 -28935 0.020763 0.012439 -0.0051527 1667.9 2024-05-16 19:09:08,233 INFO [main.py:798]
{rank 0/64} MD step = 900 step time: 00:00:00.347188 Performance: 22.956 ns/day 1.045 hours/ns 1.328 steps/s 2024-05-16 19:09:36,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 900 180 89.886 -19237 9851.6 -29088 -29088 0.02262 0.011791 -0.0057718 1837.6 2024-05-16 19:10:11,957 INFO [main.py:798]
{rank 0/64} MD step = 1000 step time: 00:00:00.355031 Performance: 23.313 ns/day 1.029 hours/ns 1.349 steps/s 2024-05-16 19:11:18,393 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 89.394 -19245 9797.7 -29043 -29043 0.024039 0.014229 -0.0084862 2049.7 2024-05-16 19:11:56,291 INFO [main.py:798]
{rank 0/64} MD step = 1100 step time: 00:00:00.354919 Performance: 22.481 ns/day 1.068 hours/ns 1.301 steps/s 2024-05-16 19:12:37,413 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 89.588 -19084 9819 -28903 -28903 0.026021 0.013915 -0.0080385 2258.1 2024-05-16 19:14:01,266 INFO [main.py:798]
{rank 0/64} MD step = 1200 step time: 00:00:00.383259 Performance: 21.367 ns/day 1.123 hours/ns 1.237 steps/s 2024-05-16 19:14:28,270 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 90.464 -19153 9915 -29068 -29068 0.029011 0.01461 -0.010001 2449.8 2024-05-16 19:15:03,075 INFO [main.py:798]
{rank 0/64} MD step = 1300 step time: 00:00:00.347166 Performance: 21.762 ns/day 1.103 hours/ns 1.259 steps/s 2024-05-16 19:16:14,293 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 90.011 -19093 9865.3 -28959 -28959 0.030135 0.016434 -0.012001 2684.6 2024-05-16 19:16:53,707 INFO [main.py:798]
{rank 0/64} MD step = 1400 step time: 00:00:00.358800 Performance: 21.168 ns/day 1.134 hours/ns 1.225 steps/s 2024-05-16 19:17:14,746 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 89.558 -19306 9815.6 -29121 -29121 0.031297 0.017944 -0.013639 2869 2024-05-16 19:17:49,945 INFO [main.py:798]
{rank 0/64} MD step = 1500 step time: 00:00:00.350982 Performance: 21.616 ns/day 1.110 hours/ns 1.251 steps/s 2024-05-16 19:18:26,418 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 89.489 -19344 9808.1 -29153 -29153 0.032773 0.019144 -0.013658 3057.1 2024-05-16 19:19:01,472 INFO [main.py:798]
{rank 0/64} MD step = 1600 step time: 00:00:00.358794 Performance: 21.759 ns/day 1.103 hours/ns 1.259 steps/s 2024-05-16 19:19:35,118 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 89.672 -19163 9828.1 -28992 -28992 0.033373 0.020554 -0.015201 3305.7 2024-05-16 19:20:09,898 INFO [main.py:798]
{rank 0/64} MD step = 1700 step time: 00:00:00.349620 Performance: 21.937 ns/day 1.094 hours/ns 1.270 steps/s 2024-05-16 19:20:57,538 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 89.774 -19294 9839.4 -29133 -29133 0.034288 0.019944 -0.014172 3511.4 2024-05-16 19:21:40,252 INFO [main.py:798]
{rank 0/64} MD step = 1800 step time: 00:00:00.343655 Performance: 21.759 ns/day 1.103 hours/ns 1.259 steps/s 2024-05-16 19:22:19,513 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 90.018 -19334 9866.1 -29200 -29200 0.036078 0.020344 -0.015753 3705.8 2024-05-16 19:22:55,589 INFO [main.py:798]
{rank 0/64} MD step = 1900 step time: 00:00:00.390337 Performance: 21.818 ns/day 1.100 hours/ns 1.263 steps/s 2024-05-16 19:23:07,218 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 89.955 -19151 9859.2 -29010 -29010 0.038859 0.021306 -0.016972 3915.9 2024-05-16 19:23:43,638 INFO [main.py:798]
{rank 0/64} MD step = 2000 step time: 00:00:00.354302 Performance: 22.256 ns/day 1.078 hours/ns 1.288 steps/s 2024-05-16 19:23:52,079 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 89.299 -19066 9787.3 -28854 -28854 0.042212 0.022268 -0.017982 4142.5 2024-05-16 19:24:28,703 INFO [main.py:798]
{rank 0/64} MD step = 2100 step time: 00:00:00.376866 Performance: 22.709 ns/day 1.057 hours/ns 1.314 steps/s 2024-05-16 19:24:42,089 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 90.049 -19215 9869.5 -29084 -29084 0.044117 0.02282 -0.018263 4315.7 2024-05-16 19:25:17,578 INFO [main.py:798]
{rank 0/64} MD step = 2200 step time: 00:00:00.362359 Performance: 23.084 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-16 19:25:41,598 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 91.313 -19034 10008 -29042 -29042 0.045288 0.022992 -0.017811 4545.8 2024-05-16 19:26:16,050 INFO [main.py:798]
{rank 0/64} MD step = 2300 step time: 00:00:00.347660 Performance: 23.306 ns/day 1.030 hours/ns 1.349 steps/s 2024-05-16 19:26:32,046 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 89.58 -19136 9818.1 -28954 -28954 0.047688 0.023649 -0.017639 4787.2 2024-05-16 19:27:07,377 INFO [main.py:798]
{rank 0/64} MD step = 2400 step time: 00:00:00.357585 Performance: 23.609 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-16 19:27:15,503 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 90.466 -18945 9915.2 -28860 -28860 0.049088 0.027202 -0.017868 5011.8 2024-05-16 19:27:51,033 INFO [main.py:798]
{rank 0/64} MD step = 2500 step time: 00:00:00.342200 Performance: 23.996 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-16 19:28:47,083 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 90.275 -19096 9894.3 -28990 -28990 0.049965 0.028678 -0.01922 5232.2 2024-05-16 19:29:23,713 INFO [main.py:798]
{rank 0/64} MD step = 2600 step time: 00:00:00.383440 Performance: 23.734 ns/day 1.011 hours/ns 1.373 steps/s 2024-05-16 19:30:13,813 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 88.62 -19441 9712.9 -29154 -29154 0.05267 0.031078 -0.019592 5361.6 2024-05-16 19:30:48,797 INFO [main.py:798]
{rank 0/64} MD step = 2700 step time: 00:00:00.360713 Performance: 23.587 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-16 19:31:18,823 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 90.042 -19340 9868.7 -29208 -29208 0.054575 0.031897 -0.021258 5583.1 2024-05-16 19:32:16,255 INFO [main.py:798]
{rank 0/64} MD step = 2800 step time: 00:00:00.346260 Performance: 23.425 ns/day 1.025 hours/ns 1.356 steps/s 2024-05-16 19:32:51,798 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 89.845 -19120 9847.1 -28968 -28968 0.057118 0.034878 -0.021354 5814.9 2024-05-16 19:33:28,327 INFO [main.py:798]
{rank 0/64} MD step = 2900 step time: 00:00:00.345784 Performance: 23.443 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-16 19:35:20,432 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 90.364 -19168 9904 -29072 -29072 0.058937 0.034954 -0.023944 6008.6 2024-05-16 19:36:01,057 INFO [main.py:798]
{rank 0/64} MD step = 3000 step time: 00:00:00.346941 Performance: 22.635 ns/day 1.060 hours/ns 1.310 steps/s 2024-05-16 19:36:25,949 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 89.208 -19394 9777.3 -29171 -29171 0.061851 0.03645 -0.026954 6216.3 2024-05-16 19:37:00,494 INFO [main.py:798]
{rank 0/64} MD step = 3100 step time: 00:00:00.345843 Performance: 22.798 ns/day 1.053 hours/ns 1.319 steps/s 2024-05-16 19:37:21,311 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 89.862 -18998 9849 -28847 -28847 0.063061 0.038821 -0.029259 6472.8 2024-05-16 19:37:56,027 INFO [main.py:798]
{rank 0/64} MD step = 3200 step time: 00:00:00.328084 Performance: 22.990 ns/day 1.044 hours/ns 1.330 steps/s 2024-05-16 19:38:24,008 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 89.683 -19161 9829.4 -28990 -28990 0.066251 0.039431 -0.031897 6680.2 2024-05-16 19:39:02,371 INFO [main.py:798]
{rank 0/64} MD step = 3300 step time: 00:00:00.359158 Performance: 23.072 ns/day 1.040 hours/ns 1.335 steps/s 2024-05-16 19:39:36,669 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 90.275 -19087 9894.3 -28981 -28981 0.068194 0.041221 -0.034116 6895.3 2024-05-16 19:40:12,227 INFO [main.py:798]
{rank 0/64} MD step = 3400 step time: 00:00:00.351130 Performance: 23.117 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-16 19:40:56,486 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 91.82 -18908 10064 -28971 -28971 0.071452 0.041764 -0.036173 7073.6 2024-05-16 19:41:31,702 INFO [main.py:798]
{rank 0/64} MD step = 3500 step time: 00:00:00.342255 Performance: 23.076 ns/day 1.040 hours/ns 1.335 steps/s 2024-05-16 19:42:30,272 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 89.204 -19049 9776.8 -28825 -28825 0.072966 0.04145 -0.038374 7273.4 2024-05-16 19:43:05,216 INFO [main.py:798]
{rank 0/64} MD step = 3600 step time: 00:00:00.356146 Performance: 22.917 ns/day 1.047 hours/ns 1.326 steps/s 2024-05-16 19:43:37,871 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 88.96 -19154 9750.1 -28904 -28904 0.073604 0.043317 -0.037945 7462.8 2024-05-16 19:44:14,652 INFO [main.py:798]
{rank 0/64} MD step = 3700 step time: 00:00:00.355254 Performance: 22.966 ns/day 1.045 hours/ns 1.329 steps/s 2024-05-16 19:45:57,386 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 89.348 -18987 9792.7 -28780 -28780 0.075261 0.043564 -0.039107 7652.9 2024-05-16 19:46:36,902 INFO [main.py:798]
{rank 0/64} MD step = 3800 step time: 00:00:00.375048 Performance: 22.441 ns/day 1.069 hours/ns 1.299 steps/s 2024-05-16 19:49:21,234 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 88.893 -19044 9742.8 -28787 -28787 0.077738 0.04486 -0.040955 7845.1 2024-05-16 19:49:55,830 INFO [main.py:798]
{rank 0/64} MD step = 3900 step time: 00:00:00.362061 Performance: 21.565 ns/day 1.113 hours/ns 1.248 steps/s 2024-05-16 19:50:53,876 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 89.791 -19037 9841.2 -28878 -28878 0.081166 0.04526 -0.041679 8036.3 2024-05-16 19:51:29,134 INFO [main.py:798]
{rank 0/64} MD step = 4000 step time: 00:00:00.371674 Performance: 21.477 ns/day 1.117 hours/ns 1.243 steps/s 2024-05-16 19:52:08,607 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 91.308 -18889 10007 -28897 -28897 0.083767 0.046212 -0.041998 8274.7 2024-05-16 19:52:43,223 INFO [main.py:798]
{rank 0/64} MD step = 4100 step time: 00:00:00.338597 Performance: 21.519 ns/day 1.115 hours/ns 1.245 steps/s 2024-05-16 19:53:06,306 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 90.088 -19048 9873.8 -28921 -28921 0.087853 0.046326 -0.041221 8445.5 2024-05-16 19:53:43,358 INFO [main.py:798]
{rank 0/64} MD step = 4200 step time: 00:00:00.346084 Performance: 21.648 ns/day 1.109 hours/ns 1.253 steps/s 2024-05-16 19:54:50,256 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 89.983 -19035 9862.3 -28897 -28897 0.091415 0.047012 -0.042098 8659.2 2024-05-16 19:55:24,594 INFO [main.py:798]
{rank 0/64} MD step = 4300 step time: 00:00:00.342181 Performance: 21.514 ns/day 1.116 hours/ns 1.245 steps/s 2024-05-16 19:56:21,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4300 860 91.246 -18978 10001 -28978 -28978 0.093796 0.04866 -0.042212 8849.2 2024-05-16 19:56:59,899 INFO [main.py:798]
{rank 0/64} MD step = 4400 step time: 00:00:00.348663 Performance: 21.423 ns/day 1.120 hours/ns 1.240 steps/s 2024-05-16 19:57:09,425 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 92.223 -18772 10108 -28880 -28880 0.096677 0.048484 -0.042669 9034.7 2024-05-16 19:57:46,447 INFO [main.py:798]
{rank 0/64} MD step = 4500 step time: 00:00:00.334243 Performance: 21.626 ns/day 1.110 hours/ns 1.252 steps/s 2024-05-16 19:58:13,889 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 91.11 -19051 9985.8 -29037 -29037 0.099167 0.047655 -0.044355 9248.1 2024-05-16 19:58:54,516 INFO [main.py:798]
{rank 0/64} MD step = 4600 step time: 00:00:00.357847 Performance: 21.696 ns/day 1.106 hours/ns 1.256 steps/s 2024-05-16 19:59:02,079 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 89.241 -19271 9780.9 -29052 -29052 0.098729 0.049946 -0.045617 9494.2 2024-05-16 19:59:36,676 INFO [main.py:798]
{rank 0/64} MD step = 4700 step time: 00:00:00.361414 Performance: 21.915 ns/day 1.095 hours/ns 1.268 steps/s 2024-05-16 20:00:29,019 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 89.613 -19100 9821.7 -28922 -28922 0.10052 0.050708 -0.04695 9673 2024-05-16 20:01:03,950 INFO [main.py:798]
{rank 0/64} MD step = 4800 step time: 00:00:00.330708 Performance: 21.867 ns/day 1.098 hours/ns 1.265 steps/s 2024-05-16 20:01:39,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4800 960 88.318 -19395 9679.7 -29074 -29074 0.099644 0.051965 -0.047374 9863.9 2024-05-16 20:02:14,281 INFO [main.py:798]
{rank 0/64} MD step = 4900 step time: 00:00:00.358335 Performance: 21.916 ns/day 1.095 hours/ns 1.268 steps/s 2024-05-16 20:02:37,959 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 89.179 -19225 9774.1 -28999 -28999 0.10212 0.053622 -0.048422 10071 2024-05-16 20:03:14,470 INFO [main.py:798]
{rank 0/64} MD step = 5000 step time: 00:00:00.338653 Performance: 22.020 ns/day 1.090 hours/ns 1.274 steps/s 2024-05-16 20:03:47,849 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 90.092 -19328 9874.2 -29202 -29202 0.10449 0.054394 -0.049965 10247 2024-05-16 20:04:24,231 INFO [main.py:798]
{rank 0/64} MD step = 5100 step time: 00:00:00.382962 Performance: 22.068 ns/day 1.088 hours/ns 1.277 steps/s 2024-05-16 20:04:46,424 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 89.633 -19207 9823.9 -29031 -29031 0.10637 0.053946 -0.051374 10461 2024-05-16 20:05:21,271 INFO [main.py:798]
{rank 0/64} MD step = 5200 step time: 00:00:00.342584 Performance: 22.184 ns/day 1.082 hours/ns 1.284 steps/s 2024-05-16 20:05:43,931 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 90.342 -19305 9901.6 -29207 -29207 0.10907 0.053413 -0.052746 10683 2024-05-16 20:06:20,794 INFO [main.py:798]
{rank 0/64} MD step = 5300 step time: 00:00:00.379638 Performance: 22.283 ns/day 1.077 hours/ns 1.290 steps/s 2024-05-16 20:06:31,147 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 89.774 -19236 9839.3 -29075 -29075 0.11223 0.053946 -0.053908 10901 2024-05-16 20:07:08,457 INFO [main.py:798]
{rank 0/64} MD step = 5400 step time: 00:00:00.330294 Performance: 22.443 ns/day 1.069 hours/ns 1.299 steps/s 2024-05-16 20:07:23,524 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 89.083 -19254 9763.7 -29018 -29018 0.11511 0.052898 -0.054251 11107 2024-05-16 20:07:58,000 INFO [main.py:798]
{rank 0/64} MD step = 5500 step time: 00:00:00.340068 Performance: 22.590 ns/day 1.062 hours/ns 1.307 steps/s 2024-05-16 20:08:05,304 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 89.597 -19034 9819.9 -28854 -28854 0.11631 0.054241 -0.054013 11305 2024-05-16 20:08:41,129 INFO [main.py:798]
{rank 0/64} MD step = 5600 step time: 00:00:00.350376 Performance: 22.767 ns/day 1.054 hours/ns 1.318 steps/s 2024-05-16 20:09:02,796 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 89.278 -19242 9785 -29027 -29027 0.11847 0.053527 -0.056556 11463 2024-05-16 20:09:37,336 INFO [main.py:798]
{rank 0/64} MD step = 5700 step time: 00:00:00.334966 Performance: 22.871 ns/day 1.049 hours/ns 1.324 steps/s 2024-05-16 20:10:25,577 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 89.476 -19185 9806.6 -28992 -28992 0.12222 0.05406 -0.057987 11643 2024-05-16 20:11:04,792 INFO [main.py:798]
{rank 0/64} MD step = 5800 step time: 00:00:00.347118 Performance: 22.809 ns/day 1.052 hours/ns 1.320 steps/s 2024-05-16 20:11:30,578 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 89.043 -19308 9759.2 -29067 -29067 0.12535 0.054336 -0.059227 11871 2024-05-16 20:12:05,797 INFO [main.py:798]
{rank 0/64} MD step = 5900 step time: 00:00:00.345245 Performance: 22.885 ns/day 1.049 hours/ns 1.324 steps/s 2024-05-16 20:12:33,950 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 90.582 -19029 9927.9 -28957 -28957 0.12865 0.053336 -0.06218 12054 2024-05-16 20:13:09,035 INFO [main.py:798]
{rank 0/64} MD step = 6000 step time: 00:00:00.352826 Performance: 22.947 ns/day 1.046 hours/ns 1.328 steps/s 2024-05-16 20:14:27,170 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 89.153 -19262 9771.2 -29033 -29033 0.13056 0.055146 -0.062003 12229 2024-05-16 20:15:02,094 INFO [main.py:798]
{rank 0/64} MD step = 6100 step time: 00:00:00.352883 Performance: 22.760 ns/day 1.054 hours/ns 1.317 steps/s 2024-05-16 20:15:45,596 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 89.718 -18948 9833.2 -28781 -28781 0.13365 0.05486 -0.063165 12471 2024-05-16 20:16:27,585 INFO [main.py:798]
{rank 0/64} MD step = 6200 step time: 00:00:00.354832 Performance: 22.714 ns/day 1.057 hours/ns 1.314 steps/s 2024-05-16 20:17:00,454 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 89.971 -18967 9861 -28828 -28828 0.13681 0.055736 -0.06428 12681 2024-05-16 20:17:35,104 INFO [main.py:798]
{rank 0/64} MD step = 6300 step time: 00:00:00.358339 Performance: 22.754 ns/day 1.055 hours/ns 1.317 steps/s 2024-05-16 20:17:44,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6300 1260 90.624 -19009 9932.5 -28941 -28941 0.14027 0.055775 -0.066225 12859 2024-05-16 20:18:19,945 INFO [main.py:798]
{rank 0/64} MD step = 6400 step time: 00:00:00.358952 Performance: 22.901 ns/day 1.048 hours/ns 1.325 steps/s 2024-05-16 20:18:35,772 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 91.075 -18937 9981.9 -28919 -28919 0.14107 0.057546 -0.068194 13071 2024-05-16 20:19:12,419 INFO [main.py:798]
{rank 0/64} MD step = 6500 step time: 00:00:00.330246 Performance: 23.009 ns/day 1.043 hours/ns 1.332 steps/s 2024-05-16 20:19:53,724 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 90.683 -18850 9939 -28789 -28789 0.1423 0.059927 -0.06889 13321 2024-05-16 20:20:28,437 INFO [main.py:798]
{rank 0/64} MD step = 6600 step time: 00:00:00.345822 Performance: 23.004 ns/day 1.043 hours/ns 1.331 steps/s 2024-05-16 20:20:52,603 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 91.383 -18916 10016 -28932 -28932 0.14452 0.059984 -0.067128 13482 2024-05-16 20:21:27,030 INFO [main.py:798]
{rank 0/64} MD step = 6700 step time: 00:00:00.348624 Performance: 23.080 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-16 20:21:41,227 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 89.676 -19185 9828.6 -29013 -29013 0.14793 0.061756 -0.068613 13691 2024-05-16 20:22:16,523 INFO [main.py:798]
{rank 0/64} MD step = 6800 step time: 00:00:00.347137 Performance: 23.196 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 20:22:41,958 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 90.089 -19281 9873.9 -29155 -29155 0.15119 0.06347 -0.068232 13841 2024-05-16 20:23:16,777 INFO [main.py:798]
{rank 0/64} MD step = 6900 step time: 00:00:00.365660 Performance: 23.260 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 20:23:36,227 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 92.548 -18920 10143 -29063 -29063 0.15422 0.063908 -0.071566 14027 2024-05-16 20:24:11,002 INFO [main.py:798]
{rank 0/64} MD step = 7000 step time: 00:00:00.338964 Performance: 23.350 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-16 20:26:00,046 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 89.717 -19260 9833.1 -29093 -29093 0.15747 0.063623 -0.072347 14229 2024-05-16 20:26:39,447 INFO [main.py:798]
{rank 0/64} MD step = 7100 step time: 00:00:00.337027 Performance: 23.024 ns/day 1.042 hours/ns 1.332 steps/s 2024-05-16 20:27:06,808 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 91.984 -18960 10082 -29041 -29041 0.15822 0.064327 -0.074404 14488 2024-05-16 20:27:42,208 INFO [main.py:798]
{rank 0/64} MD step = 7200 step time: 00:00:00.348985 Performance: 23.077 ns/day 1.040 hours/ns 1.335 steps/s 2024-05-16 20:27:53,559 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 87.747 -19641 9617.2 -29258 -29258 0.16059 0.064747 -0.07608 14621 2024-05-16 20:28:29,531 INFO [main.py:798]
{rank 0/64} MD step = 7300 step time: 00:00:00.374732 Performance: 23.193 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 20:29:34,688 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 88.977 -19331 9752 -29083 -29083 0.16229 0.066175 -0.077642 14839 2024-05-16 20:30:09,543 INFO [main.py:798]
{rank 0/64} MD step = 7400 step time: 00:00:00.341891 Performance: 23.087 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-16 20:31:02,220 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 90.959 -19033 9969.2 -29003 -29003 0.16431 0.066013 -0.0805 15032 2024-05-16 20:31:37,019 INFO [main.py:798]
{rank 0/64} MD step = 7500 step time: 00:00:00.343311 Performance: 23.035 ns/day 1.042 hours/ns 1.333 steps/s 2024-05-16 20:32:13,631 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 91.112 -19184 9986 -29170 -29170 0.16449 0.065994 -0.082567 15271 2024-05-16 20:32:49,891 INFO [main.py:798]
{rank 0/64} MD step = 7600 step time: 00:00:00.341189 Performance: 23.044 ns/day 1.042 hours/ns 1.334 steps/s 2024-05-16 20:33:04,602 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 87.829 -19365 9626.2 -28991 -28991 0.16761 0.065918 -0.085786 15482 2024-05-16 20:33:41,639 INFO [main.py:798]
{rank 0/64} MD step = 7700 step time: 00:00:00.341634 Performance: 23.137 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-16 20:33:54,491 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 92.075 -18964 10092 -29055 -29055 0.16877 0.066285 -0.085805 15681 2024-05-16 20:34:31,435 INFO [main.py:798]
{rank 0/64} MD step = 7800 step time: 00:00:00.373399 Performance: 23.236 ns/day 1.033 hours/ns 1.345 steps/s 2024-05-16 20:34:44,607 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 90.726 -19091 9943.7 -29035 -29035 0.17148 0.068223 -0.088295 15884 2024-05-16 20:35:19,108 INFO [main.py:798]
{rank 0/64} MD step = 7900 step time: 00:00:00.346709 Performance: 23.342 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-16 20:35:54,322 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 88.437 -19169 9692.8 -28862 -28862 0.17546 0.066689 -0.091053 16080 2024-05-16 20:36:28,821 INFO [main.py:798]
{rank 0/64} MD step = 8000 step time: 00:00:00.350180 Performance: 23.359 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-16 20:37:11,207 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 91.414 -18929 10019 -28948 -28948 0.17932 0.067728 -0.092348 16254 2024-05-16 20:37:46,599 INFO [main.py:798]
{rank 0/64} MD step = 8100 step time: 00:00:00.357368 Performance: 23.344 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-16 20:38:50,573 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 90.427 -19092 9911 -29003 -29003 0.18131 0.068309 -0.092748 16447 2024-05-16 20:39:25,519 INFO [main.py:798]
{rank 0/64} MD step = 8200 step time: 00:00:00.354627 Performance: 23.249 ns/day 1.032 hours/ns 1.345 steps/s 2024-05-16 20:40:24,958 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 90.232 -18819 9889.5 -28708 -28708 0.18348 0.067866 -0.095777 16675 2024-05-16 20:41:00,218 INFO [main.py:798]
{rank 0/64} MD step = 8300 step time: 00:00:00.343832 Performance: 23.172 ns/day 1.036 hours/ns 1.341 steps/s 2024-05-16 20:42:05,798 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 90.65 -19140 9935.3 -29076 -29076 0.18412 0.067189 -0.09692 16817 2024-05-16 20:42:44,766 INFO [main.py:798]
{rank 0/64} MD step = 8400 step time: 00:00:00.339643 Performance: 23.062 ns/day 1.041 hours/ns 1.335 steps/s 2024-05-16 20:43:36,512 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 88.973 -19351 9751.5 -29103 -29103 0.18571 0.066851 -0.098596 17035 2024-05-16 20:44:13,932 INFO [main.py:798]
{rank 0/64} MD step = 8500 step time: 00:00:00.348634 Performance: 23.011 ns/day 1.043 hours/ns 1.332 steps/s 2024-05-16 20:44:44,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8500 1700 89.213 -19151 9777.8 -28929 -28929 0.18553 0.067528 -0.098315 17302 2024-05-16 20:45:19,305 INFO [main.py:798]
{rank 0/64} MD step = 8600 step time: 00:00:00.362414 Performance: 23.045 ns/day 1.041 hours/ns 1.334 steps/s 2024-05-16 20:45:38,991 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 90.335 -19052 9900.8 -28952 -28952 0.18645 0.069642 -0.098901 17504 2024-05-16 20:46:20,786 INFO [main.py:798]
{rank 0/64} MD step = 8700 step time: 00:00:00.352009 Performance: 23.093 ns/day 1.039 hours/ns 1.336 steps/s 2024-05-16 20:46:32,146 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 89.616 -19167 9822 -28989 -28989 0.18745 0.070785 -0.10032 17702 2024-05-16 20:47:07,454 INFO [main.py:798]
{rank 0/64} MD step = 8800 step time: 00:00:00.357369 Performance: 23.192 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 20:47:20,775 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 89.688 -19156 9829.9 -28986 -28986 0.18917 0.071471 -0.10176 17893 2024-05-16 20:47:54,861 INFO [main.py:798]
{rank 0/64} MD step = 8900 step time: 00:00:00.350193 Performance: 23.287 ns/day 1.031 hours/ns 1.348 steps/s 2024-05-16 20:48:34,260 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 90.521 -19214 9921.2 -29135 -29135 0.19253 0.071623 -0.10203 18055 2024-05-16 20:49:09,995 INFO [main.py:798]
{rank 0/64} MD step = 9000 step time: 00:00:00.356587 Performance: 23.284 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-16 20:49:34,510 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 88.922 -19465 9746 -29211 -29211 0.19285 0.071128 -0.10258 18219 2024-05-16 20:50:09,192 INFO [main.py:798]
{rank 0/64} MD step = 9100 step time: 00:00:00.358550 Performance: 23.336 ns/day 1.028 hours/ns 1.350 steps/s 2024-05-16 20:50:39,073 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 89.683 -19463 9829.3 -29292 -29292 0.19534 0.072385 -0.10464 18398 2024-05-16 20:51:13,680 INFO [main.py:798]
{rank 0/64} MD step = 9200 step time: 00:00:00.351954 Performance: 23.369 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-16 20:51:47,056 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 90.403 -19227 9908.3 -29135 -29135 0.19788 0.073852 -0.10643 18587 2024-05-16 20:52:21,822 INFO [main.py:798]
{rank 0/64} MD step = 9300 step time: 00:00:00.339095 Performance: 23.388 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-16 20:53:20,191 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 90.612 -19112 9931.2 -29043 -29043 0.19824 0.074471 -0.10705 18807 2024-05-16 20:53:58,745 INFO [main.py:798]
{rank 0/64} MD step = 9400 step time: 00:00:00.349684 Performance: 23.311 ns/day 1.030 hours/ns 1.349 steps/s 2024-05-16 20:54:55,742 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 90.466 -19061 9915.1 -28976 -28976 0.19917 0.075052 -0.108 19025 2024-05-16 20:55:30,354 INFO [main.py:798]
{rank 0/64} MD step = 9500 step time: 00:00:00.348447 Performance: 23.253 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 20:56:40,396 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 89.45 -19176 9803.8 -28979 -28979 0.20153 0.074861 -0.11168 19194 2024-05-16 20:57:28,786 INFO [main.py:798]
{rank 0/64} MD step = 9600 step time: 00:00:00.341396 Performance: 23.111 ns/day 1.038 hours/ns 1.337 steps/s 2024-05-16 20:57:44,108 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 90.492 -19055 9918 -28974 -28974 0.20352 0.07669 -0.1111 19449 2024-05-16 20:58:19,956 INFO [main.py:798]
{rank 0/64} MD step = 9700 step time: 00:00:00.353341 Performance: 23.186 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 20:58:39,076 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 89.337 -19377 9791.4 -29168 -29168 0.20599 0.076271 -0.11205 19597 2024-05-16 20:59:15,652 INFO [main.py:798]
{rank 0/64} MD step = 9800 step time: 00:00:00.354976 Performance: 23.246 ns/day 1.032 hours/ns 1.345 steps/s 2024-05-16 20:59:25,331 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 90.03 -19320 9867.4 -29188 -29188 0.20737 0.077166 -0.11277 19787 2024-05-16 21:00:00,959 INFO [main.py:798]
{rank 0/64} MD step = 9900 step time: 00:00:00.359107 Performance: 23.338 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-16 21:00:11,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9900 1980 89.752 -19163 9837 -29000 -29000 0.20898 0.076957 -0.11387 19990 2024-05-16 21:00:51,347 INFO [main.py:798]
{rank 0/64} MD step = 10000 step time: 00:00:00.387983 Performance: 23.413 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-16 21:01:08,453 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 89.535 -18997 9813.2 -28810 -28810 0.21169 0.077947 -0.11618 20177 2024-05-16 21:01:42,823 INFO [main.py:798]
{rank 0/64} MD step = 10100 step time: 00:00:00.344901 Performance: 23.483 ns/day 1.022 hours/ns 1.359 steps/s 2024-05-16 21:02:01,408 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 90.151 -19075 9880.7 -28955 -28955 0.21186 0.077909 -0.11761 20360 2024-05-16 21:02:36,831 INFO [main.py:798]
{rank 0/64} MD step = 10200 step time: 00:00:00.358701 Performance: 23.544 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-16 21:03:03,215 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 89.732 -19322 9834.7 -29156 -29156 0.215 0.078938 -0.11728 20545 2024-05-16 21:03:37,978 INFO [main.py:798]
{rank 0/64} MD step = 10300 step time: 00:00:00.335833 Performance: 23.583 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-16 21:04:17,630 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 89.667 -18998 9827.6 -28826 -28826 0.21597 0.0789 -0.11828 20734 2024-05-16 21:04:52,558 INFO [main.py:798]
{rank 0/64} MD step = 10400 step time: 00:00:00.366305 Performance: 23.579 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-16 21:05:41,427 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 90.93 -19070 9966.1 -29036 -29036 0.21773 0.080005 -0.1206 20899 2024-05-16 21:06:16,173 INFO [main.py:798]
{rank 0/64} MD step = 10500 step time: 00:00:00.334758 Performance: 23.547 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-16 21:06:29,630 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 89.332 -19275 9790.9 -29066 -29066 0.21876 0.082748 -0.12124 21094 2024-05-16 21:07:05,440 INFO [main.py:798]
{rank 0/64} MD step = 10600 step time: 00:00:00.350913 Performance: 23.620 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-16 21:07:23,909 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 91.143 -18843 9989.4 -28832 -28832 0.22095 0.083548 -0.12227 21326 2024-05-16 21:07:59,536 INFO [main.py:798]
{rank 0/64} MD step = 10700 step time: 00:00:00.341353 Performance: 23.678 ns/day 1.014 hours/ns 1.370 steps/s 2024-05-16 21:09:16,438 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 90.371 -18898 9904.7 -28803 -28803 0.22401 0.083624 -0.12252 21546 2024-05-16 21:09:51,071 INFO [main.py:798]
{rank 0/64} MD step = 10800 step time: 00:00:00.328486 Performance: 23.563 ns/day 1.019 hours/ns 1.364 steps/s 2024-05-16 21:10:07,978 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 91.13 -18958 9987.9 -28946 -28946 0.22495 0.084424 -0.12216 21751 2024-05-16 21:10:42,789 INFO [main.py:798]
{rank 0/64} MD step = 10900 step time: 00:00:00.353153 Performance: 23.627 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-16 21:12:03,979 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 90.844 -18937 9956.7 -28893 -28893 0.22676 0.085129 -0.12218 21932 2024-05-16 21:12:38,920 INFO [main.py:798]
{rank 0/64} MD step = 11000 step time: 00:00:00.353366 Performance: 23.501 ns/day 1.021 hours/ns 1.360 steps/s 2024-05-16 21:12:58,926 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 89.269 -19099 9784 -28883 -28883 0.22861 0.084643 -0.1249 22133 2024-05-16 21:13:34,163 INFO [main.py:798]
{rank 0/64} MD step = 11100 step time: 00:00:00.376764 Performance: 23.554 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-16 21:13:43,952 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 88.036 -19248 9648.9 -28897 -28897 0.23123 0.085567 -0.12543 22336 2024-05-16 21:14:18,599 INFO [main.py:798]
{rank 0/64} MD step = 11200 step time: 00:00:00.338599 Performance: 23.637 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-16 21:15:15,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11200 2240 91.11 -19053 9985.7 -29038 -29038 0.23506 0.084119 -0.12612 22529 2024-05-16 21:15:50,676 INFO [main.py:798]
{rank 0/64} MD step = 11300 step time: 00:00:00.333644 Performance: 23.583 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-16 21:16:10,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11300 2260 89.485 -19157 9807.6 -28964 -28964 0.23879 0.083719 -0.12968 22742 2024-05-16 21:16:46,432 INFO [main.py:798]
{rank 0/64} MD step = 11400 step time: 00:00:00.377573 Performance: 23.632 ns/day 1.016 hours/ns 1.368 steps/s 2024-05-16 21:18:33,674 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 89.093 -18967 9764.8 -28732 -28732 0.24175 0.083357 -0.13078 22990 2024-05-16 21:19:06,928 INFO [main.py:798]
{rank 0/64} MD step = 11500 step time: 00:00:00.361248 Performance: 23.445 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-16 21:19:56,842 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 88.967 -19210 9750.9 -28961 -28961 0.24372 0.082976 -0.13125 23164 2024-05-16 21:20:31,511 INFO [main.py:798]
{rank 0/64} MD step = 11600 step time: 00:00:00.347312 Performance: 23.415 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-16 21:21:35,765 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 89.014 -19049 9756.1 -28805 -28805 0.24396 0.082881 -0.13266 23339 2024-05-16 21:22:11,255 INFO [main.py:798]
{rank 0/64} MD step = 11700 step time: 00:00:00.353093 Performance: 23.345 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-16 21:22:44,908 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 89.589 -19116 9819.1 -28935 -28935 0.24736 0.083605 -0.13346 23573 2024-05-16 21:23:21,288 INFO [main.py:798]
{rank 0/64} MD step = 11800 step time: 00:00:00.383045 Performance: 23.355 ns/day 1.028 hours/ns 1.352 steps/s 2024-05-16 21:25:20,024 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 90.693 -18793 9940.1 -28734 -28734 0.25144 0.083586 -0.13178 23783 2024-05-16 21:25:54,578 INFO [main.py:798]
{rank 0/64} MD step = 11900 step time: 00:00:00.351055 Performance: 23.147 ns/day 1.037 hours/ns 1.340 steps/s 2024-05-16 21:26:37,268 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 90.29 -18611 9895.9 -28507 -28507 0.25468 0.084157 -0.13147 24050 2024-05-16 21:27:22,636 INFO [main.py:798]
{rank 0/64} MD step = 12000 step time: 00:00:00.342920 Performance: 23.112 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-16 21:28:12,167 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 90.547 -18710 9924.1 -28634 -28634 0.2566 0.084805 -0.13172 24267 2024-05-16 21:28:47,839 INFO [main.py:798]
{rank 0/64} MD step = 12100 step time: 00:00:00.360486 Performance: 23.086 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-16 21:29:04,121 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 89.399 -19013 9798.2 -28811 -28811 0.25868 0.085776 -0.13165 24460 2024-05-16 21:29:54,814 INFO [main.py:798]
{rank 0/64} MD step = 12200 step time: 00:00:00.355318 Performance: 23.106 ns/day 1.039 hours/ns 1.337 steps/s 2024-05-16 21:31:00,705 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 89.928 -18850 9856.3 -28706 -28706 0.26081 0.087433 -0.13317 24596 2024-05-16 21:31:35,575 INFO [main.py:798]
{rank 0/64} MD step = 12300 step time: 00:00:00.346024 Performance: 23.040 ns/day 1.042 hours/ns 1.333 steps/s 2024-05-16 21:32:20,100 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 91.176 -18798 9993 -28791 -28791 0.26268 0.089719 -0.13555 24834 2024-05-16 21:33:02,828 INFO [main.py:798]
{rank 0/64} MD step = 12400 step time: 00:00:00.353325 Performance: 23.010 ns/day 1.043 hours/ns 1.332 steps/s 2024-05-16 21:33:31,811 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 90.098 -18967 9874.9 -28842 -28842 0.26419 0.090072 -0.13547 25043 2024-05-16 21:34:06,273 INFO [main.py:798]
{rank 0/64} MD step = 12500 step time: 00:00:00.360385 Performance: 23.039 ns/day 1.042 hours/ns 1.333 steps/s 2024-05-16 21:34:47,076 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 90.679 -18603 9938.5 -28541 -28541 0.26624 0.090367 -0.13441 25288 2024-05-16 21:36:37,517 INFO [main.py:798]
{rank 0/64} MD step = 12600 step time: 00:00:00.333575 Performance: 22.854 ns/day 1.050 hours/ns 1.323 steps/s 2024-05-16 21:37:29,984 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 91.078 -19026 9982.2 -29008 -29008 0.26763 0.090729 -0.13542 25433 2024-05-16 21:38:04,356 INFO [main.py:798]
{rank 0/64} MD step = 12700 step time: 00:00:00.355339 Performance: 22.828 ns/day 1.051 hours/ns 1.321 steps/s 2024-05-16 21:38:46,345 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 89.958 -18974 9859.5 -28834 -28834 0.2702 0.091815 -0.13786 25671 2024-05-16 21:39:22,866 INFO [main.py:798]
{rank 0/64} MD step = 12800 step time: 00:00:00.345270 Performance: 22.821 ns/day 1.052 hours/ns 1.321 steps/s 2024-05-16 21:39:54,388 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 90.114 -18806 9876.6 -28683 -28683 0.27331 0.092291 -0.13771 25867 2024-05-16 21:40:29,613 INFO [main.py:798]
{rank 0/64} MD step = 12900 step time: 00:00:00.354559 Performance: 22.842 ns/day 1.051 hours/ns 1.322 steps/s 2024-05-16 21:40:43,408 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 90.272 -18770 9893.9 -28664 -28664 0.27613 0.09272 -0.13797 26079 2024-05-16 21:41:18,304 INFO [main.py:798]
{rank 0/64} MD step = 13000 step time: 00:00:00.331057 Performance: 22.905 ns/day 1.048 hours/ns 1.326 steps/s 2024-05-16 21:41:45,108 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 90.293 -18730 9896.2 -28627 -28627 0.27857 0.090829 -0.14079 26247 2024-05-16 21:42:24,340 INFO [main.py:798]
{rank 0/64} MD step = 13100 step time: 00:00:00.347695 Performance: 22.927 ns/day 1.047 hours/ns 1.327 steps/s 2024-05-16 21:42:30,075 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 90.21 -18778 9887.2 -28665 -28665 0.28253 0.091662 -0.14134 26468 2024-05-16 21:43:13,926 INFO [main.py:798]
{rank 0/64} MD step = 13200 step time: 00:00:00.343457 Performance: 22.986 ns/day 1.044 hours/ns 1.330 steps/s 2024-05-16 21:44:04,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13200 2640 89.877 -18783 9850.6 -28634 -28634 0.28628 0.091834 -0.13899 26645 2024-05-16 21:44:41,046 INFO [main.py:798]
{rank 0/64} MD step = 13300 step time: 00:00:00.331065 Performance: 22.959 ns/day 1.045 hours/ns 1.329 steps/s 2024-05-16 21:45:17,677 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 90.197 -18992 9885.7 -28877 -28877 0.28764 0.09071 -0.13986 26823 2024-05-16 21:45:52,795 INFO [main.py:798]
{rank 0/64} MD step = 13400 step time: 00:00:00.342700 Performance: 22.967 ns/day 1.045 hours/ns 1.329 steps/s 2024-05-16 21:46:27,255 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 90.269 -18650 9893.6 -28544 -28544 0.28889 0.090577 -0.13986 27087 2024-05-16 21:47:02,692 INFO [main.py:798]
{rank 0/64} MD step = 13500 step time: 00:00:00.347997 Performance: 22.979 ns/day 1.044 hours/ns 1.330 steps/s 2024-05-16 21:47:57,262 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 90.489 -18801 9917.7 -28719 -28719 0.29099 0.090557 -0.13969 27237 2024-05-16 21:48:38,271 INFO [main.py:798]
{rank 0/64} MD step = 13600 step time: 00:00:00.383008 Performance: 22.933 ns/day 1.047 hours/ns 1.327 steps/s 2024-05-16 21:49:54,110 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 89.129 -18939 9768.6 -28707 -28707 0.29084 0.091967 -0.14084 27472 2024-05-16 21:50:30,944 INFO [main.py:798]
{rank 0/64} MD step = 13700 step time: 00:00:00.362631 Performance: 22.851 ns/day 1.050 hours/ns 1.322 steps/s 2024-05-16 21:51:08,265 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 89.969 -18984 9860.7 -28845 -28845 0.29469 0.0917 -0.1421 27639 2024-05-16 21:51:45,437 INFO [main.py:798]
{rank 0/64} MD step = 13800 step time: 00:00:00.347238 Performance: 22.853 ns/day 1.050 hours/ns 1.323 steps/s 2024-05-16 21:52:29,126 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 91.305 -18740 10007 -28747 -28747 0.29689 0.091681 -0.14306 27847 2024-05-16 21:53:03,194 INFO [main.py:798]
{rank 0/64} MD step = 13900 step time: 00:00:00.354765 Performance: 22.848 ns/day 1.050 hours/ns 1.322 steps/s 2024-05-16 21:53:43,198 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 90.32 -18848 9899.1 -28747 -28747 0.29905 0.091796 -0.14387 28061 2024-05-16 21:54:18,240 INFO [main.py:798]
{rank 0/64} MD step = 14000 step time: 00:00:00.346693 Performance: 22.850 ns/day 1.050 hours/ns 1.322 steps/s 2024-05-16 21:54:42,072 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 88.216 -19120 9668.5 -28789 -28789 0.30143 0.091872 -0.14616 28244 2024-05-16 21:55:18,178 INFO [main.py:798]
{rank 0/64} MD step = 14100 step time: 00:00:00.358006 Performance: 22.883 ns/day 1.049 hours/ns 1.324 steps/s 2024-05-16 21:55:56,343 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 88.64 -19035 9715.1 -28750 -28750 0.30287 0.090443 -0.14805 28421 2024-05-16 21:56:31,486 INFO [main.py:798]
{rank 0/64} MD step = 14200 step time: 00:00:00.329366 Performance: 22.888 ns/day 1.049 hours/ns 1.325 steps/s 2024-05-16 21:56:39,073 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 92.369 -18643 10124 -28767 -28767 0.30605 0.089262 -0.14991 28631 2024-05-16 21:57:15,331 INFO [main.py:798]
{rank 0/64} MD step = 14300 step time: 00:00:00.385342 Performance: 22.955 ns/day 1.046 hours/ns 1.328 steps/s 2024-05-16 21:57:38,089 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 90.62 -18883 9932.1 -28815 -28815 0.30733 0.090443 -0.1513 28780 2024-05-16 21:58:13,611 INFO [main.py:798]
{rank 0/64} MD step = 14400 step time: 00:00:00.391369 Performance: 22.991 ns/day 1.044 hours/ns 1.331 steps/s 2024-05-16 21:58:48,904 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 90.139 -18852 9879.4 -28731 -28731 0.30839 0.088462 -0.15262 29015 2024-05-16 21:59:24,226 INFO [main.py:798]
{rank 0/64} MD step = 14500 step time: 00:00:00.381322 Performance: 23.001 ns/day 1.043 hours/ns 1.331 steps/s 2024-05-16 21:59:31,416 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 89.327 -19044 9790.4 -28834 -28834 0.31225 0.088738 -0.15377 29190 2024-05-16 22:00:06,494 INFO [main.py:798]
{rank 0/64} MD step = 14600 step time: 00:00:00.376106 Performance: 23.070 ns/day 1.040 hours/ns 1.335 steps/s 2024-05-16 22:00:32,459 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 91.199 -18709 9995.5 -28705 -28705 0.31324 0.088538 -0.15484 29400 2024-05-16 22:01:07,194 INFO [main.py:798]
{rank 0/64} MD step = 14700 step time: 00:00:00.339215 Performance: 23.100 ns/day 1.039 hours/ns 1.337 steps/s 2024-05-16 22:01:46,226 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 91.174 -19025 9992.7 -29018 -29018 0.31672 0.088357 -0.1557 29588 2024-05-16 22:02:29,989 INFO [main.py:798]
{rank 0/64} MD step = 14800 step time: 00:00:00.356299 Performance: 23.083 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-16 22:03:04,879 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 89.616 -19131 9822 -28953 -28953 0.32044 0.087548 -0.15711 29814 2024-05-16 22:03:42,814 INFO [main.py:798]
{rank 0/64} MD step = 14900 step time: 00:00:00.346251 Performance: 23.087 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-16 22:04:00,731 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 89.437 -19028 9802.4 -28831 -28831 0.32276 0.088519 -0.1586 30067 2024-05-16 22:04:35,636 INFO [main.py:798]
{rank 0/64} MD step = 15000 step time: 00:00:00.341846 Performance: 23.133 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-16 22:05:37,710 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 89.009 -19099 9755.4 -28855 -28855 0.32348 0.089129 -0.16049 30293 2024-05-16 22:06:12,817 INFO [main.py:798]
{rank 0/64} MD step = 15100 step time: 00:00:00.342535 Performance: 23.087 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-16 22:06:53,689 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 89.768 -19046 9838.7 -28885 -28885 0.32568 0.09031 -0.16159 30486 2024-05-16 22:07:28,393 INFO [main.py:798]
{rank 0/64} MD step = 15200 step time: 00:00:00.358017 Performance: 23.085 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-16 22:07:37,981 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 90.3 -18988 9897 -28885 -28885 0.32701 0.091891 -0.16184 30680 2024-05-16 22:08:22,599 INFO [main.py:798]
{rank 0/64} MD step = 15300 step time: 00:00:00.357698 Performance: 23.127 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-16 22:08:44,819 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 89.326 -19146 9790.2 -28936 -28936 0.32912 0.0905 -0.16393 30916 2024-05-16 22:09:24,317 INFO [main.py:798]
{rank 0/64} MD step = 15400 step time: 00:00:00.344980 Performance: 23.153 ns/day 1.037 hours/ns 1.340 steps/s 2024-05-16 22:09:48,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15400 3080 88.543 -19342 9704.4 -29046 -29046 0.33221 0.092243 -0.16668 31105 2024-05-16 22:10:23,108 INFO [main.py:798]
{rank 0/64} MD step = 15500 step time: 00:00:00.357457 Performance: 23.185 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 22:10:32,400 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 89.747 -19286 9836.3 -29122 -29122 0.3355 0.091396 -0.16791 31282 2024-05-16 22:11:07,520 INFO [main.py:798]
{rank 0/64} MD step = 15600 step time: 00:00:00.379060 Performance: 23.245 ns/day 1.032 hours/ns 1.345 steps/s 2024-05-16 22:11:19,391 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 89.058 -19350 9760.8 -29111 -29111 0.33764 0.0909 -0.16911 31481 2024-05-16 22:11:57,025 INFO [main.py:798]
{rank 0/64} MD step = 15700 step time: 00:00:00.357918 Performance: 23.295 ns/day 1.030 hours/ns 1.348 steps/s 2024-05-16 22:12:30,550 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 90.072 -19192 9872 -29064 -29064 0.33975 0.090215 -0.1713 31699 2024-05-16 22:13:32,185 INFO [main.py:798]
{rank 0/64} MD step = 15800 step time: 00:00:00.329496 Performance: 23.253 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 22:13:59,387 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 89.386 -19204 9796.8 -29001 -29001 0.33933 0.089719 -0.17247 31904 2024-05-16 22:14:33,797 INFO [main.py:798]
{rank 0/64} MD step = 15900 step time: 00:00:00.357099 Performance: 23.278 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-16 22:15:03,197 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 89.793 -19191 9841.4 -29032 -29032 0.34206 0.089281 -0.17494 32068 2024-05-16 22:15:39,499 INFO [main.py:798]
{rank 0/64} MD step = 16000 step time: 00:00:00.369556 Performance: 23.295 ns/day 1.030 hours/ns 1.348 steps/s 2024-05-16 22:16:43,765 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 90.78 -18997 9949.6 -28947 -28947 0.34556 0.088005 -0.1762 32267 2024-05-16 22:17:19,173 INFO [main.py:798]
{rank 0/64} MD step = 16100 step time: 00:00:00.369885 Performance: 23.245 ns/day 1.032 hours/ns 1.345 steps/s 2024-05-16 22:17:42,096 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 89.79 -19350 9841.1 -29191 -29191 0.34735 0.0874 -0.17692 32453 2024-05-16 22:18:22,827 INFO [main.py:798]
{rank 0/64} MD step = 16200 step time: 00:00:00.358197 Performance: 23.266 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 22:19:07,112 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 89.744 -19233 9836.1 -29069 -29069 0.34945 0.086395 -0.17728 32657 2024-05-16 22:20:49,459 INFO [main.py:798]
{rank 0/64} MD step = 16300 step time: 00:00:00.374235 Performance: 23.128 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-16 22:21:37,713 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 89.565 -19153 9816.4 -28969 -28969 0.35122 0.085186 -0.17826 32881 2024-05-16 22:22:12,958 INFO [main.py:798]
{rank 0/64} MD step = 16400 step time: 00:00:00.349588 Performance: 23.111 ns/day 1.038 hours/ns 1.337 steps/s 2024-05-16 22:22:42,650 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 88.698 -19263 9721.4 -28984 -28984 0.35196 0.085091 -0.17856 33066 2024-05-16 22:23:17,514 INFO [main.py:798]
{rank 0/64} MD step = 16500 step time: 00:00:00.359356 Performance: 23.130 ns/day 1.038 hours/ns 1.339 steps/s 2024-05-16 22:23:25,513 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 88.955 -19077 9749.6 -28827 -28827 0.35469 0.084176 -0.17785 33260 2024-05-16 22:24:00,517 INFO [main.py:798]
{rank 0/64} MD step = 16600 step time: 00:00:00.346425 Performance: 23.189 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 22:24:09,149 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 89.964 -19094 9860.2 -28954 -28954 0.35699 0.084814 -0.17868 33437 2024-05-16 22:24:43,646 INFO [main.py:798]
{rank 0/64} MD step = 16700 step time: 00:00:00.342151 Performance: 23.248 ns/day 1.032 hours/ns 1.345 steps/s 2024-05-16 22:25:06,231 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 90.555 -18899 9925 -28824 -28824 0.35808 0.083776 -0.17934 33646 2024-05-16 22:25:41,834 INFO [main.py:798]
{rank 0/64} MD step = 16800 step time: 00:00:00.375425 Performance: 23.278 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-16 22:25:53,502 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 90.885 -18864 9961.1 -28825 -28825 0.35905 0.085671 -0.18102 33848 2024-05-16 22:26:29,905 INFO [main.py:798]
{rank 0/64} MD step = 16900 step time: 00:00:00.334428 Performance: 23.327 ns/day 1.029 hours/ns 1.350 steps/s 2024-05-16 22:27:17,336 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 90.545 -18966 9923.8 -28890 -28890 0.35952 0.083852 -0.18319 34034 2024-05-16 22:27:58,227 INFO [main.py:798]
{rank 0/64} MD step = 17000 step time: 00:00:00.335980 Performance: 23.300 ns/day 1.030 hours/ns 1.348 steps/s 2024-05-16 22:28:28,279 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 90.749 -18856 9946.2 -28802 -28802 0.36049 0.084548 -0.18435 34278 2024-05-16 22:29:03,509 INFO [main.py:798]
{rank 0/64} MD step = 17100 step time: 00:00:00.388132 Performance: 23.317 ns/day 1.029 hours/ns 1.349 steps/s 2024-05-16 22:31:25,149 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 90.088 -19041 9873.7 -28914 -28914 0.36403 0.085024 -0.18275 34464 2024-05-16 22:32:01,028 INFO [main.py:798]
{rank 0/64} MD step = 17200 step time: 00:00:00.329413 Performance: 23.129 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-16 22:32:51,487 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 89.766 -18857 9838.5 -28695 -28695 0.36489 0.082367 -0.18397 34668 2024-05-16 22:33:29,711 INFO [main.py:798]
{rank 0/64} MD step = 17300 step time: 00:00:00.379611 Performance: 23.104 ns/day 1.039 hours/ns 1.337 steps/s 2024-05-16 22:34:25,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17300 3460 89.632 -18713 9823.8 -28537 -28537 0.36785 0.081624 -0.18529 34858 2024-05-16 22:35:02,599 INFO [main.py:798]
{rank 0/64} MD step = 17400 step time: 00:00:00.355917 Performance: 23.072 ns/day 1.040 hours/ns 1.335 steps/s 2024-05-16 22:35:20,086 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 90.412 -18914 9909.2 -28823 -28823 0.36875 0.081757 -0.18858 35067 2024-05-16 22:36:00,003 INFO [main.py:798]
{rank 0/64} MD step = 17500 step time: 00:00:00.411335 Performance: 23.103 ns/day 1.039 hours/ns 1.337 steps/s 2024-05-16 22:36:16,253 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 88.276 -19218 9675.1 -28893 -28893 0.3716 0.081243 -0.19094 35247 2024-05-16 22:36:50,839 INFO [main.py:798]
{rank 0/64} MD step = 17600 step time: 00:00:00.350147 Performance: 23.145 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-16 22:37:02,422 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 89.807 -18879 9843 -28722 -28722 0.37335 0.079662 -0.1926 35488 2024-05-16 22:37:36,995 INFO [main.py:798]
{rank 0/64} MD step = 17700 step time: 00:00:00.377211 Performance: 23.195 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 22:37:59,325 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 90.661 -18746 9936.6 -28682 -28682 0.37484 0.079028 -0.19482 35701 2024-05-16 22:38:33,934 INFO [main.py:798]
{rank 0/64} MD step = 17800 step time: 00:00:00.355792 Performance: 23.226 ns/day 1.033 hours/ns 1.344 steps/s 2024-05-16 22:39:03,661 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 89.886 -19047 9851.6 -28899 -28899 0.37654 0.078976 -0.19471 35843 2024-05-16 22:39:38,382 INFO [main.py:798]
{rank 0/64} MD step = 17900 step time: 00:00:00.343053 Performance: 23.243 ns/day 1.033 hours/ns 1.345 steps/s 2024-05-16 22:40:02,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17900 3580 90.853 -18935 9957.6 -28893 -28893 0.37663 0.079833 -0.19464 36039 2024-05-16 22:40:39,679 INFO [main.py:798]
{rank 0/64} MD step = 18000 step time: 00:00:00.358632 Performance: 23.266 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 22:41:31,406 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 90.241 -18789 9890.6 -28680 -28680 0.37762 0.078976 -0.1983 36271 2024-05-16 22:42:05,867 INFO [main.py:798]
{rank 0/64} MD step = 18100 step time: 00:00:00.354420 Performance: 23.245 ns/day 1.032 hours/ns 1.345 steps/s 2024-05-16 22:42:34,975 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 90.132 -18815 9878.6 -28693 -28693 0.3794 0.078662 -0.19925 36492 2024-05-16 22:43:10,829 INFO [main.py:798]
{rank 0/64} MD step = 18200 step time: 00:00:00.346436 Performance: 23.261 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 22:43:36,762 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 89.652 -18953 9826 -28779 -28779 0.38155 0.078481 -0.2022 36714 2024-05-16 22:44:12,440 INFO [main.py:798]
{rank 0/64} MD step = 18300 step time: 00:00:00.379035 Performance: 23.283 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-16 22:44:23,866 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 89.882 -18975 9851.2 -28826 -28826 0.38295 0.078062 -0.20348 36899 2024-05-16 22:44:58,558 INFO [main.py:798]
{rank 0/64} MD step = 18400 step time: 00:00:00.345173 Performance: 23.331 ns/day 1.029 hours/ns 1.350 steps/s 2024-05-16 22:45:17,372 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 90.388 -19020 9906.6 -28927 -28927 0.386 0.075738 -0.20432 37083 2024-05-16 22:45:55,997 INFO [main.py:798]
{rank 0/64} MD step = 18500 step time: 00:00:00.358922 Performance: 23.359 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-16 22:46:52,733 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 89.536 -19128 9813.3 -28941 -28941 0.38758 0.074176 -0.20413 37324 2024-05-16 22:47:27,814 INFO [main.py:798]
{rank 0/64} MD step = 18600 step time: 00:00:00.350771 Performance: 23.329 ns/day 1.029 hours/ns 1.350 steps/s 2024-05-16 22:47:54,050 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 89.011 -19190 9755.7 -28946 -28946 0.38895 0.074652 -0.20508 37498 2024-05-16 22:48:28,695 INFO [main.py:798]
{rank 0/64} MD step = 18700 step time: 00:00:00.347135 Performance: 23.351 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-16 22:48:39,169 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 89.512 -19120 9810.6 -28931 -28931 0.39211 0.073918 -0.20715 37706 2024-05-16 22:49:14,095 INFO [main.py:798]
{rank 0/64} MD step = 18800 step time: 00:00:00.344527 Performance: 23.400 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-16 22:49:26,662 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 89.707 -19178 9832 -29010 -29010 0.39519 0.074633 -0.20749 37882 2024-05-16 22:50:03,407 INFO [main.py:798]
{rank 0/64} MD step = 18900 step time: 00:00:00.355392 Performance: 23.441 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-16 22:50:22,084 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 91.492 -18901 10028 -28928 -28928 0.39743 0.074976 -0.20803 38066 2024-05-16 22:50:57,668 INFO [main.py:798]
{rank 0/64} MD step = 19000 step time: 00:00:00.344666 Performance: 23.473 ns/day 1.022 hours/ns 1.358 steps/s 2024-05-16 22:52:47,621 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 91.409 -18849 10019 -28867 -28867 0.39897 0.075471 -0.20809 38310 2024-05-16 22:53:22,424 INFO [main.py:798]
{rank 0/64} MD step = 19100 step time: 00:00:00.349871 Performance: 23.355 ns/day 1.028 hours/ns 1.352 steps/s 2024-05-16 22:54:03,391 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 88.858 -18932 9738.9 -28671 -28671 0.40198 0.074861 -0.21039 38547 2024-05-16 22:55:04,448 INFO [main.py:798]
{rank 0/64} MD step = 19200 step time: 00:00:00.337858 Performance: 23.309 ns/day 1.030 hours/ns 1.349 steps/s 2024-05-16 22:55:19,980 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 90.542 -18865 9923.6 -28789 -28789 0.40411 0.075128 -0.21213 38729 2024-05-16 22:55:55,814 INFO [main.py:798]
{rank 0/64} MD step = 19300 step time: 00:00:00.386944 Performance: 23.346 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-16 22:56:08,404 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 89.795 -18950 9841.6 -28791 -28791 0.40653 0.075871 -0.21357 38978 2024-05-16 22:56:42,848 INFO [main.py:798]
{rank 0/64} MD step = 19400 step time: 00:00:00.345907 Performance: 23.390 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-16 22:57:09,213 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 91.783 -18766 10060 -28826 -28826 0.40829 0.075795 -0.21535 39137 2024-05-16 22:57:46,496 INFO [main.py:798]
{rank 0/64} MD step = 19500 step time: 00:00:00.375697 Performance: 23.407 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-16 22:58:40,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19500 3900 90.733 -18937 9944.4 -28882 -28882 0.41037 0.075338 -0.21733 39293 2024-05-16 22:59:16,407 INFO [main.py:798]
{rank 0/64} MD step = 19600 step time: 00:00:00.354798 Performance: 23.381 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-16 22:59:30,911 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 90.685 -19002 9939.2 -28942 -28942 0.41051 0.076538 -0.22036 39492 2024-05-16 23:00:05,856 INFO [main.py:798]
{rank 0/64} MD step = 19700 step time: 00:00:00.353515 Performance: 23.420 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-16 23:01:06,445 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 89.815 -19088 9843.8 -28932 -28932 0.41231 0.076328 -0.22189 39682 2024-05-16 23:01:43,022 INFO [main.py:798]
{rank 0/64} MD step = 19800 step time: 00:00:00.330444 Performance: 23.383 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-16 23:02:26,892 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 89.285 -19386 9785.8 -29172 -29172 0.41513 0.075433 -0.22174 39859 2024-05-16 23:03:03,696 INFO [main.py:798]
{rank 0/64} MD step = 19900 step time: 00:00:00.390042 Performance: 23.372 ns/day 1.027 hours/ns 1.353 steps/s 2024-05-16 23:03:35,594 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 90.255 -19047 9892 -28939 -28939 0.41631 0.0773 -0.22239 40103 2024-05-16 23:04:10,671 INFO [main.py:798]
{rank 0/64} MD step = 20000 step time: 00:00:00.346541 Performance: 23.383 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-16 23:04:24,029 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 92.109 -18728 10095 -28823 -28823 0.41896 0.07589 -0.22488 40274 2024-05-16 23:04:58,571 INFO [main.py:798]
{rank 0/64} MD step = 20100 step time: 00:00:00.354120 Performance: 23.424 ns/day 1.025 hours/ns 1.356 steps/s 2024-05-16 23:05:37,076 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 87.926 -19119 9636.8 -28756 -28756 0.41926 0.076919 -0.22872 40503 2024-05-16 23:06:18,889 INFO [main.py:798]
{rank 0/64} MD step = 20200 step time: 00:00:00.358491 Performance: 23.414 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-16 23:07:08,908 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 90.178 -19149 9883.6 -29032 -29032 0.41999 0.07749 -0.23264 40655 2024-05-16 23:07:46,104 INFO [main.py:798]
{rank 0/64} MD step = 20300 step time: 00:00:00.356567 Performance: 23.393 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-16 23:08:57,956 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 90.012 -18990 9865.4 -28855 -28855 0.4201 0.076347 -0.23365 40845 2024-05-16 23:09:34,694 INFO [main.py:798]
{rank 0/64} MD step = 20400 step time: 00:00:00.344179 Performance: 23.339 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-16 23:10:40,404 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 89.376 -18928 9795.7 -28724 -28724 0.42136 0.075947 -0.2338 41131 2024-05-16 23:11:20,822 INFO [main.py:798]
{rank 0/64} MD step = 20500 step time: 00:00:00.341400 Performance: 23.290 ns/day 1.030 hours/ns 1.348 steps/s 2024-05-16 23:11:55,499 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 90.471 -19038 9915.7 -28953 -28953 0.42084 0.073852 -0.2347 41290 2024-05-16 23:12:30,151 INFO [main.py:798]
{rank 0/64} MD step = 20600 step time: 00:00:00.328860 Performance: 23.297 ns/day 1.030 hours/ns 1.348 steps/s 2024-05-16 23:12:48,056 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 90.409 -18930 9908.9 -28839 -28839 0.42189 0.074328 -0.23506 41503 2024-05-16 23:13:22,504 INFO [main.py:798]
{rank 0/64} MD step = 20700 step time: 00:00:00.346159 Performance: 23.330 ns/day 1.029 hours/ns 1.350 steps/s 2024-05-16 23:13:34,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20700 4140 90.403 -18852 9908.3 -28760 -28760 0.42475 0.075242 -0.23672 41698 2024-05-16 23:14:09,626 INFO [main.py:798]
{rank 0/64} MD step = 20800 step time: 00:00:00.361304 Performance: 23.371 ns/day 1.027 hours/ns 1.353 steps/s 2024-05-16 23:14:34,491 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 89.664 -19078 9827.3 -28905 -28905 0.42505 0.074447 -0.23838 41888 2024-05-16 23:15:09,162 INFO [main.py:798]
{rank 0/64} MD step = 20900 step time: 00:00:00.345721 Performance: 23.393 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-16 23:16:07,511 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 89.023 -19124 9757 -28881 -28881 0.4258 0.073833 -0.23907 42124 2024-05-16 23:16:46,419 INFO [main.py:798]
{rank 0/64} MD step = 21000 step time: 00:00:00.346820 Performance: 23.358 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-16 23:17:09,887 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 89.657 -18907 9826.5 -28734 -28734 0.42775 0.071471 -0.23869 42337 2024-05-16 23:17:44,550 INFO [main.py:798]
{rank 0/64} MD step = 21100 step time: 00:00:00.348444 Performance: 23.382 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-16 23:19:35,846 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 89.346 -19151 9792.4 -28943 -28943 0.43037 0.071404 -0.23913 42520 2024-05-16 23:20:10,500 INFO [main.py:798]
{rank 0/64} MD step = 21200 step time: 00:00:00.340782 Performance: 23.275 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-16 23:20:55,183 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 89.588 -19058 9818.9 -28877 -28877 0.43454 0.069337 -0.2388 42721 2024-05-16 23:21:31,168 INFO [main.py:798]
{rank 0/64} MD step = 21300 step time: 00:00:00.331277 Performance: 23.265 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 23:22:04,973 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 90.277 -19122 9894.5 -29016 -29016 0.43541 0.069109 -0.23925 42886 2024-05-16 23:22:41,636 INFO [main.py:798]
{rank 0/64} MD step = 21400 step time: 00:00:00.350823 Performance: 23.271 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-16 23:23:26,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21400 4280 91.069 -18794 9981.2 -28775 -28775 0.4369 0.066766 -0.24076 43129 2024-05-16 23:24:04,276 INFO [main.py:798]
{rank 0/64} MD step = 21500 step time: 00:00:00.379960 Performance: 23.258 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 23:24:49,129 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 89.225 -18985 9779.2 -28764 -28764 0.43945 0.066556 -0.2426 43331 2024-05-16 23:25:23,940 INFO [main.py:798]
{rank 0/64} MD step = 21600 step time: 00:00:00.353413 Performance: 23.251 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-16 23:26:24,151 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 89.049 -19307 9759.8 -29067 -29067 0.44225 0.066747 -0.24485 43499 2024-05-16 23:26:59,192 INFO [main.py:798]
{rank 0/64} MD step = 21700 step time: 00:00:00.328584 Performance: 23.221 ns/day 1.034 hours/ns 1.344 steps/s 2024-05-16 23:27:48,616 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 88.982 -19024 9752.6 -28777 -28777 0.44277 0.067042 -0.24683 43729 2024-05-16 23:28:22,582 INFO [main.py:798]
{rank 0/64} MD step = 21800 step time: 00:00:00.357219 Performance: 23.208 ns/day 1.034 hours/ns 1.343 steps/s 2024-05-16 23:29:32,097 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 90.803 -19002 9952.1 -28955 -28955 0.44265 0.066251 -0.24847 43920 2024-05-16 23:30:06,691 INFO [main.py:798]
{rank 0/64} MD step = 21900 step time: 00:00:00.358589 Performance: 23.166 ns/day 1.036 hours/ns 1.341 steps/s 2024-05-16 23:30:24,703 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 89.897 -18985 9852.8 -28838 -28838 0.44523 0.065499 -0.25043 44150 2024-05-16 23:30:59,240 INFO [main.py:798]
{rank 0/64} MD step = 22000 step time: 00:00:00.330277 Performance: 23.197 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 23:31:44,054 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 88.733 -19187 9725.2 -28912 -28912 0.44621 0.06307 -0.2519 44304 2024-05-16 23:32:18,662 INFO [main.py:798]
{rank 0/64} MD step = 22100 step time: 00:00:00.331686 Performance: 23.190 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 23:33:27,837 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 91.003 -18809 9974 -28783 -28783 0.44715 0.060956 -0.25236 44525 2024-05-16 23:34:05,858 INFO [main.py:798]
{rank 0/64} MD step = 22200 step time: 00:00:00.342230 Performance: 23.144 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-16 23:34:31,195 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 91.428 -18696 10021 -28716 -28716 0.44937 0.058632 -0.25346 44736 2024-05-16 23:35:05,752 INFO [main.py:798]
{rank 0/64} MD step = 22300 step time: 00:00:00.344576 Performance: 23.165 ns/day 1.036 hours/ns 1.341 steps/s 2024-05-16 23:35:51,711 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 87.503 -19208 9590.5 -28798 -28798 0.45048 0.058022 -0.25468 44890 2024-05-16 23:36:34,394 INFO [main.py:798]
{rank 0/64} MD step = 22400 step time: 00:00:00.339126 Performance: 23.145 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-16 23:37:00,948 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 90.099 -18951 9875 -28826 -28826 0.45157 0.059108 -0.2572 45101 2024-05-16 23:37:35,987 INFO [main.py:798]
{rank 0/64} MD step = 22500 step time: 00:00:00.335420 Performance: 23.163 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-16 23:37:53,399 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 89.762 -18912 9838 -28750 -28750 0.45461 0.059518 -0.25836 45341 2024-05-16 23:38:28,618 INFO [main.py:798]
{rank 0/64} MD step = 22600 step time: 00:00:00.341423 Performance: 23.193 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 23:39:18,727 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 88.994 -19211 9753.9 -28965 -28965 0.45667 0.059356 -0.26051 45518 2024-05-16 23:39:54,245 INFO [main.py:798]
{rank 0/64} MD step = 22700 step time: 00:00:00.350759 Performance: 23.178 ns/day 1.035 hours/ns 1.341 steps/s 2024-05-16 23:40:47,026 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 90.473 -18998 9915.9 -28914 -28914 0.45892 0.06007 -0.26066 45665 2024-05-16 23:41:22,853 INFO [main.py:798]
{rank 0/64} MD step = 22800 step time: 00:00:00.367481 Performance: 23.159 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-16 23:41:58,671 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 89.911 -18968 9854.3 -28822 -28822 0.4601 0.057851 -0.26209 45878 2024-05-16 23:42:34,316 INFO [main.py:798]
{rank 0/64} MD step = 22900 step time: 00:00:00.375000 Performance: 23.163 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-16 23:42:47,023 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 89.368 -19160 9794.9 -28955 -28955 0.46079 0.058632 -0.26313 46056 2024-05-16 23:43:22,540 INFO [main.py:798]
{rank 0/64} MD step = 23000 step time: 00:00:00.350198 Performance: 23.199 ns/day 1.035 hours/ns 1.343 steps/s 2024-05-16 23:43:46,843 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 90.694 -18842 9940.1 -28782 -28782 0.46505 0.057565 -0.26489 46280 2024-05-16 23:44:20,738 INFO [main.py:798]
{rank 0/64} MD step = 23100 step time: 00:00:00.336986 Performance: 23.221 ns/day 1.034 hours/ns 1.344 steps/s 2024-05-16 23:45:08,322 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 89.144 -19223 9770.3 -28993 -28993 0.46643 0.055584 -0.2674 46462 2024-05-16 23:45:45,982 INFO [main.py:798]
{rank 0/64} MD step = 23200 step time: 00:00:00.357761 Performance: 23.206 ns/day 1.034 hours/ns 1.343 steps/s 2024-05-16 23:46:03,896 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 88.973 -19041 9751.5 -28793 -28793 0.46825 0.054784 -0.26777 46663 2024-05-16 23:46:39,168 INFO [main.py:798]
{rank 0/64} MD step = 23300 step time: 00:00:00.352424 Performance: 23.235 ns/day 1.033 hours/ns 1.345 steps/s 2024-05-16 23:47:43,405 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 88.959 -19047 9750 -28797 -28797 0.46911 0.055584 -0.27034 46880 2024-05-16 23:48:20,809 INFO [main.py:798]
{rank 0/64} MD step = 23400 step time: 00:00:00.351501 Performance: 23.199 ns/day 1.035 hours/ns 1.343 steps/s 2024-05-16 23:49:10,290 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 89.482 -19041 9807.4 -28848 -28848 0.47036 0.055889 -0.27243 47043 2024-05-16 23:49:47,342 INFO [main.py:798]
{rank 0/64} MD step = 23500 step time: 00:00:00.380535 Performance: 23.183 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 23:50:31,768 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 89.986 -19084 9862.6 -28947 -28947 0.4717 0.054889 -0.27499 47224 2024-05-16 23:51:21,066 INFO [main.py:798]
{rank 0/64} MD step = 23600 step time: 00:00:00.344986 Performance: 23.157 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-16 23:52:13,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23600 4720 90.797 -18896 9951.5 -28848 -28848 0.47283 0.053451 -0.27569 47449 2024-05-16 23:52:47,872 INFO [main.py:798]
{rank 0/64} MD step = 23700 step time: 00:00:00.342704 Performance: 23.141 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-16 23:53:26,934 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 90.288 -19110 9895.7 -29005 -29005 0.47298 0.054632 -0.27711 47632 2024-05-16 23:54:04,238 INFO [main.py:798]
{rank 0/64} MD step = 23800 step time: 00:00:00.345771 Performance: 23.139 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-16 23:54:28,997 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 90.713 -18863 9942.2 -28806 -28806 0.47378 0.052393 -0.27823 47886 2024-05-16 23:55:03,657 INFO [main.py:798]
{rank 0/64} MD step = 23900 step time: 00:00:00.346886 Performance: 23.159 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-16 23:55:42,594 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 88.505 -19211 9700.3 -28912 -28912 0.47656 0.053393 -0.27784 48100 2024-05-16 23:56:19,276 INFO [main.py:798]
{rank 0/64} MD step = 24000 step time: 00:00:00.346727 Performance: 23.158 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-16 23:56:47,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24000 4800 90.664 -18794 9936.9 -28731 -28731 0.47835 0.053213 -0.278 48305 2024-05-16 23:57:22,140 INFO [main.py:798]
{rank 0/64} MD step = 24100 step time: 00:00:00.341557 Performance: 23.173 ns/day 1.036 hours/ns 1.341 steps/s 2024-05-16 23:57:45,526 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 89.996 -18999 9863.6 -28863 -28863 0.48003 0.055394 -0.2803 48499 2024-05-16 23:58:21,984 INFO [main.py:798]
{rank 0/64} MD step = 24200 step time: 00:00:00.381736 Performance: 23.192 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-16 23:58:47,510 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 89.921 -19007 9855.4 -28863 -28863 0.48226 0.054936 -0.28212 48706 2024-05-16 23:59:22,229 INFO [main.py:798]
{rank 0/64} MD step = 24300 step time: 00:00:00.340676 Performance: 23.210 ns/day 1.034 hours/ns 1.343 steps/s 2024-05-17 00:01:15,661 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 90.954 -18853 9968.7 -28822 -28822 0.48248 0.054822 -0.28459 48898 2024-05-17 00:01:50,729 INFO [main.py:798]
{rank 0/64} MD step = 24400 step time: 00:00:00.357160 Performance: 23.116 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 00:02:47,403 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 90.041 -19037 9868.6 -28905 -28905 0.48298 0.05547 -0.28554 49084 2024-05-17 00:03:28,871 INFO [main.py:798]
{rank 0/64} MD step = 24500 step time: 00:00:00.377490 Performance: 23.086 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-17 00:03:42,168 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 90.018 -19115 9866 -28981 -28981 0.4849 0.054994 -0.2882 49300 2024-05-17 00:04:18,085 INFO [main.py:798]
{rank 0/64} MD step = 24600 step time: 00:00:00.357475 Performance: 23.119 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 00:04:34,216 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 90.525 -18813 9921.7 -28735 -28735 0.48559 0.055908 -0.28973 49505 2024-05-17 00:05:09,759 INFO [main.py:798]
{rank 0/64} MD step = 24700 step time: 00:00:00.340960 Performance: 23.147 ns/day 1.037 hours/ns 1.340 steps/s 2024-05-17 00:05:36,095 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 89.774 -18954 9839.3 -28793 -28793 0.4886 0.056822 -0.2919 49686 2024-05-17 00:06:12,388 INFO [main.py:798]
{rank 0/64} MD step = 24800 step time: 00:00:00.351372 Performance: 23.162 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-17 00:06:37,540 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 90.578 -18889 9927.5 -28817 -28817 0.48999 0.056575 -0.29413 49876 2024-05-17 00:07:12,695 INFO [main.py:798]
{rank 0/64} MD step = 24900 step time: 00:00:00.341262 Performance: 23.180 ns/day 1.035 hours/ns 1.341 steps/s 2024-05-17 00:07:28,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24900 4980 88.587 -18969 9709.2 -28678 -28678 0.4913 0.055327 -0.29579 50059 2024-05-17 00:08:06,013 INFO [main.py:798]
{rank 0/64} MD step = 25000 step time: 00:00:00.329472 Performance: 23.207 ns/day 1.034 hours/ns 1.343 steps/s 2024-05-17 00:09:46,260 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 90.278 -18888 9894.6 -28783 -28783 0.49313 0.05387 -0.29674 50272 2024-05-17 00:10:20,756 INFO [main.py:798]
{rank 0/64} MD step = 25100 step time: 00:00:00.345830 Performance: 23.132 ns/day 1.038 hours/ns 1.339 steps/s 2024-05-17 00:10:43,287 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 89.824 -18963 9844.8 -28808 -28808 0.49378 0.052879 -0.29821 50456 2024-05-17 00:11:20,201 INFO [main.py:798]
{rank 0/64} MD step = 25200 step time: 00:00:00.357794 Performance: 23.151 ns/day 1.037 hours/ns 1.340 steps/s 2024-05-17 00:11:49,955 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 89.689 -18994 9830 -28824 -28824 0.49374 0.052822 -0.2997 50657 2024-05-17 00:12:24,714 INFO [main.py:798]
{rank 0/64} MD step = 25300 step time: 00:00:00.381361 Performance: 23.163 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-17 00:12:50,110 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 91.56 -18794 10035 -28829 -28829 0.49623 0.053146 -0.30139 50882 2024-05-17 00:13:24,448 INFO [main.py:798]
{rank 0/64} MD step = 25400 step time: 00:00:00.335953 Performance: 23.182 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-17 00:14:06,580 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 88.642 -19219 9715.3 -28935 -28935 0.49927 0.053622 -0.30254 51050 2024-05-17 00:14:41,368 INFO [main.py:798]
{rank 0/64} MD step = 25500 step time: 00:00:00.352288 Performance: 23.179 ns/day 1.035 hours/ns 1.341 steps/s 2024-05-17 00:15:07,245 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 90.44 -18859 9912.3 -28771 -28771 0.50266 0.054975 -0.30171 51296 2024-05-17 00:15:43,276 INFO [main.py:798]
{rank 0/64} MD step = 25600 step time: 00:00:00.380237 Performance: 23.194 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-17 00:15:55,116 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 91.521 -18842 10031 -28872 -28872 0.50473 0.056441 -0.30455 51467 2024-05-17 00:16:34,964 INFO [main.py:798]
{rank 0/64} MD step = 25700 step time: 00:00:00.346408 Performance: 23.222 ns/day 1.034 hours/ns 1.344 steps/s 2024-05-17 00:16:48,193 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 89.75 -19060 9836.7 -28897 -28897 0.50715 0.055698 -0.30505 51676 2024-05-17 00:17:22,504 INFO [main.py:798]
{rank 0/64} MD step = 25800 step time: 00:00:00.343696 Performance: 23.254 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-17 00:17:56,324 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 89.747 -19142 9836.3 -28978 -28978 0.50799 0.053936 -0.30769 51865 2024-05-17 00:18:31,660 INFO [main.py:798]
{rank 0/64} MD step = 25900 step time: 00:00:00.359901 Performance: 23.260 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-17 00:18:52,238 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 88.829 -19272 9735.8 -29007 -29007 0.51201 0.053941 -0.31042 52021 2024-05-17 00:19:26,353 INFO [main.py:798]
{rank 0/64} MD step = 26000 step time: 00:00:00.415968 Performance: 23.284 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-17 00:19:57,982 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 89.438 -19278 9802.5 -29081 -29081 0.51309 0.055536 -0.31223 52225 2024-05-17 00:20:33,989 INFO [main.py:798]
{rank 0/64} MD step = 26100 step time: 00:00:00.376769 Performance: 23.292 ns/day 1.030 hours/ns 1.348 steps/s 2024-05-17 00:22:07,201 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 89.943 -18944 9857.8 -28802 -28802 0.51491 0.056841 -0.31379 52444 2024-05-17 00:22:41,909 INFO [main.py:798]
{rank 0/64} MD step = 26200 step time: 00:00:00.362687 Performance: 23.228 ns/day 1.033 hours/ns 1.344 steps/s 2024-05-17 00:24:18,571 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 92.237 -18977 10109 -29087 -29087 0.51885 0.058556 -0.31505 52619 2024-05-17 00:24:56,355 INFO [main.py:798]
{rank 0/64} MD step = 26300 step time: 00:00:00.340008 Performance: 23.157 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-17 00:25:44,545 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 88.607 -19155 9711.4 -28867 -28867 0.52144 0.05968 -0.31774 52899 2024-05-17 00:26:26,270 INFO [main.py:798]
{rank 0/64} MD step = 26400 step time: 00:00:00.340738 Performance: 23.139 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-17 00:27:05,671 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 89.746 -19072 9836.3 -28908 -28908 0.5254 0.061108 -0.31788 53074 2024-05-17 00:27:40,412 INFO [main.py:798]
{rank 0/64} MD step = 26500 step time: 00:00:00.355240 Performance: 23.139 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-17 00:27:57,010 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 90.216 -19049 9887.8 -28937 -28937 0.52946 0.062299 -0.3179 53259 2024-05-17 00:28:32,465 INFO [main.py:798]
{rank 0/64} MD step = 26600 step time: 00:00:00.360178 Performance: 23.166 ns/day 1.036 hours/ns 1.341 steps/s 2024-05-17 00:29:23,958 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 91.602 -18875 10040 -28915 -28915 0.52994 0.062937 -0.31863 53486 2024-05-17 00:29:59,946 INFO [main.py:798]
{rank 0/64} MD step = 26700 step time: 00:00:00.382721 Performance: 23.151 ns/day 1.037 hours/ns 1.340 steps/s 2024-05-17 00:30:31,360 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 89.466 -19098 9805.6 -28904 -28904 0.53018 0.064632 -0.31968 53698 2024-05-17 00:31:27,384 INFO [main.py:798]
{rank 0/64} MD step = 26800 step time: 00:00:00.336302 Performance: 23.136 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-17 00:32:02,249 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 91.423 -18995 10020 -29015 -29015 0.53373 0.064118 -0.32112 53886 2024-05-17 00:32:38,898 INFO [main.py:798]
{rank 0/64} MD step = 26900 step time: 00:00:00.345013 Performance: 23.140 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-17 00:33:05,315 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 88.926 -19063 9746.4 -28809 -28809 0.53468 0.063737 -0.32188 54141 2024-05-17 00:33:45,803 INFO [main.py:798]
{rank 0/64} MD step = 27000 step time: 00:00:00.349872 Performance: 23.149 ns/day 1.037 hours/ns 1.340 steps/s 2024-05-17 00:35:14,862 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 89.496 -19133 9808.9 -28942 -28942 0.5371 0.065223 -0.32451 54304 2024-05-17 00:35:50,888 INFO [main.py:798]
{rank 0/64} MD step = 27100 step time: 00:00:00.338470 Performance: 23.091 ns/day 1.039 hours/ns 1.336 steps/s 2024-05-17 00:36:54,778 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 91.875 -18903 10070 -28972 -28972 0.53702 0.066444 -0.32788 54458 2024-05-17 00:37:36,823 INFO [main.py:798]
{rank 0/64} MD step = 27200 step time: 00:00:00.373603 Performance: 23.056 ns/day 1.041 hours/ns 1.334 steps/s 2024-05-17 00:37:52,857 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 89.761 -19065 9838 -28903 -28903 0.53893 0.068956 -0.32947 54703 2024-05-17 00:38:35,425 INFO [main.py:798]
{rank 0/64} MD step = 27300 step time: 00:00:00.343114 Performance: 23.074 ns/day 1.040 hours/ns 1.335 steps/s 2024-05-17 00:39:06,906 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 89.448 -19098 9803.6 -28901 -28901 0.54163 0.068423 -0.33164 54927 2024-05-17 00:39:51,882 INFO [main.py:798]
{rank 0/64} MD step = 27400 step time: 00:00:00.338642 Performance: 23.072 ns/day 1.040 hours/ns 1.335 steps/s 2024-05-17 00:40:41,128 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 91.355 -19052 10013 -29065 -29065 0.54334 0.068042 -0.3332 55129 2024-05-17 00:41:15,636 INFO [main.py:798]
{rank 0/64} MD step = 27500 step time: 00:00:00.351782 Performance: 23.063 ns/day 1.041 hours/ns 1.335 steps/s 2024-05-17 00:41:37,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27500 5500 89.876 -19274 9850.5 -29125 -29125 0.54637 0.068728 -0.33091 55324 2024-05-17 00:42:11,770 INFO [main.py:798]
{rank 0/64} MD step = 27600 step time: 00:00:00.350365 Performance: 23.083 ns/day 1.040 hours/ns 1.336 steps/s 2024-05-17 00:43:03,859 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 89.976 -18964 9861.5 -28826 -28826 0.54822 0.069994 -0.33137 55576 2024-05-17 00:43:39,282 INFO [main.py:798]
{rank 0/64} MD step = 27700 step time: 00:00:00.352667 Performance: 23.069 ns/day 1.040 hours/ns 1.335 steps/s 2024-05-17 00:43:53,753 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 88.721 -19197 9723.9 -28921 -28921 0.55283 0.070585 -0.33124 55745 2024-05-17 00:44:31,004 INFO [main.py:798]
{rank 0/64} MD step = 27800 step time: 00:00:00.349042 Performance: 23.095 ns/day 1.039 hours/ns 1.337 steps/s 2024-05-17 00:44:50,034 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 90.152 -19037 9880.8 -28918 -28918 0.55764 0.071528 -0.33316 55948 2024-05-17 00:45:24,999 INFO [main.py:798]
{rank 0/64} MD step = 27900 step time: 00:00:00.360324 Performance: 23.118 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 00:46:22,295 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 91.446 -18647 10023 -28670 -28670 0.56251 0.07169 -0.33375 56141 2024-05-17 00:46:57,495 INFO [main.py:798]
{rank 0/64} MD step = 28000 step time: 00:00:00.357814 Performance: 23.099 ns/day 1.039 hours/ns 1.337 steps/s 2024-05-17 00:47:23,145 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 89.937 -18966 9857.2 -28823 -28823 0.56531 0.073033 -0.3333 56307 2024-05-17 00:47:57,781 INFO [main.py:798]
{rank 0/64} MD step = 28100 step time: 00:00:00.354845 Performance: 23.115 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 00:48:25,354 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 89.257 -19020 9782.7 -28803 -28803 0.56933 0.075299 -0.33347 56505 2024-05-17 00:49:01,446 INFO [main.py:798]
{rank 0/64} MD step = 28200 step time: 00:00:00.365044 Performance: 23.127 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 00:49:27,373 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 90.312 -18796 9898.3 -28694 -28694 0.57377 0.077309 -0.33415 56675 2024-05-17 00:50:01,940 INFO [main.py:798]
{rank 0/64} MD step = 28300 step time: 00:00:00.350510 Performance: 23.142 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-17 00:50:17,906 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 89.059 -18957 9761 -28718 -28718 0.57683 0.079566 -0.33533 56878 2024-05-17 00:50:52,187 INFO [main.py:798]
{rank 0/64} MD step = 28400 step time: 00:00:00.340445 Performance: 23.169 ns/day 1.036 hours/ns 1.341 steps/s 2024-05-17 00:51:02,124 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 89.318 -18937 9789.4 -28727 -28727 0.57814 0.082167 -0.33408 57097 2024-05-17 00:51:38,496 INFO [main.py:798]
{rank 0/64} MD step = 28500 step time: 00:00:00.352757 Performance: 23.200 ns/day 1.034 hours/ns 1.343 steps/s 2024-05-17 00:52:12,215 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 90.477 -18892 9916.3 -28808 -28808 0.57809 0.082443 -0.333 57254 2024-05-17 00:52:47,035 INFO [main.py:798]
{rank 0/64} MD step = 28600 step time: 00:00:00.356218 Performance: 23.206 ns/day 1.034 hours/ns 1.343 steps/s 2024-05-17 00:54:48,982 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 90.258 -18829 9892.4 -28721 -28721 0.58074 0.085338 -0.333 57479 2024-05-17 00:55:23,313 INFO [main.py:798]
{rank 0/64} MD step = 28700 step time: 00:00:00.343692 Performance: 23.118 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 00:55:48,439 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 89.372 -19105 9795.3 -28901 -28901 0.58118 0.0873 -0.33233 57656 2024-05-17 00:56:23,120 INFO [main.py:798]
{rank 0/64} MD step = 28800 step time: 00:00:00.354534 Performance: 23.134 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-17 00:56:56,644 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 90.744 -19040 9945.6 -28985 -28985 0.58188 0.088824 -0.33187 57882 2024-05-17 00:57:33,709 INFO [main.py:798]
{rank 0/64} MD step = 28900 step time: 00:00:00.347219 Performance: 23.138 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-17 00:57:52,993 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 89.503 -19166 9809.6 -28976 -28976 0.58548 0.090377 -0.33216 58095 2024-05-17 00:58:32,905 INFO [main.py:798]
{rank 0/64} MD step = 29000 step time: 00:00:00.331445 Performance: 23.155 ns/day 1.037 hours/ns 1.340 steps/s 2024-05-17 00:59:23,229 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 90.84 -18869 9956.2 -28825 -28825 0.58853 0.091348 -0.33236 58344 2024-05-17 00:59:57,746 INFO [main.py:798]
{rank 0/64} MD step = 29100 step time: 00:00:00.349228 Performance: 23.144 ns/day 1.037 hours/ns 1.339 steps/s 2024-05-17 01:00:11,647 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 90.128 -19010 9878.1 -28888 -28888 0.59169 0.092929 -0.33335 58480 2024-05-17 01:00:48,700 INFO [main.py:798]
{rank 0/64} MD step = 29200 step time: 00:00:00.338297 Performance: 23.169 ns/day 1.036 hours/ns 1.341 steps/s 2024-05-17 01:01:21,358 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 89.355 -19128 9793.4 -28921 -28921 0.59554 0.09532 -0.33333 58588 2024-05-17 01:01:56,276 INFO [main.py:798]
{rank 0/64} MD step = 29300 step time: 00:00:00.341112 Performance: 23.177 ns/day 1.036 hours/ns 1.341 steps/s 2024-05-17 01:03:28,112 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 89.191 -19166 9775.4 -28941 -28941 0.59809 0.098034 -0.33328 58792 2024-05-17 01:04:03,972 INFO [main.py:798]
{rank 0/64} MD step = 29400 step time: 00:00:00.378047 Performance: 23.121 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 01:04:45,778 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 88.894 -19210 9742.9 -28953 -28953 0.59951 0.099453 -0.33248 58998 2024-05-17 01:05:20,675 INFO [main.py:798]
{rank 0/64} MD step = 29500 step time: 00:00:00.337722 Performance: 23.118 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 01:06:23,451 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 89.383 -19178 9796.4 -28974 -28974 0.60335 0.10124 -0.33175 59189 2024-05-17 01:06:58,049 INFO [main.py:798]
{rank 0/64} MD step = 29600 step time: 00:00:00.351630 Performance: 23.095 ns/day 1.039 hours/ns 1.337 steps/s 2024-05-17 01:07:42,086 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 89.008 -18932 9755.4 -28688 -28688 0.60514 0.10312 -0.33238 59382 2024-05-17 01:08:18,907 INFO [main.py:798]
{rank 0/64} MD step = 29700 step time: 00:00:00.376742 Performance: 23.089 ns/day 1.039 hours/ns 1.336 steps/s 2024-05-17 01:08:38,062 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 90.391 -19003 9907 -28910 -28910 0.60809 0.10477 -0.3308 59582 2024-05-17 01:09:13,883 INFO [main.py:798]
{rank 0/64} MD step = 29800 step time: 00:00:00.331479 Performance: 23.109 ns/day 1.039 hours/ns 1.337 steps/s 2024-05-17 01:09:44,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29800 5960 90.789 -18920 9950.6 -28871 -28871 0.61196 0.10576 -0.33004 59786 2024-05-17 01:10:18,798 INFO [main.py:798]
{rank 0/64} MD step = 29900 step time: 00:00:00.354905 Performance: 23.119 ns/day 1.038 hours/ns 1.338 steps/s 2024-05-17 01:10:45,819 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 89.771 -19071 9839 -28910 -28910 0.61528 0.10545 -0.32817 59969 2024-05-17 01:11:21,169 INFO [main.py:798]
{rank 0/64} MD step = 30000 step time: 00:00:00.351229 Performance: 23.132 ns/day 1.038 hours/ns 1.339 steps/s 2024-05-17 01:11:34,791 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 89.114 -19285 9767 -29052 -29052 0.61805 0.10538 -0.32984 60132 2024-05-17 01:12:10,102 INFO [main.py:798]
{rank 0/64} MD step = 30100 step time: 00:00:00.380398 Performance: 23.159 ns/day 1.036 hours/ns 1.340 steps/s 2024-05-17 01:12:16,826 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 92.272 -18749 10113 -28863 -28863 0.62122 0.10694 -0.32905 60334 2024-05-17 01:12:53,037 INFO [main.py:798]
{rank 0/64} MD step = 30200 step time: 00:00:00.345784 Performance: 23.191 ns/day 1.035 hours/ns 1.342 steps/s 2024-05-17 01:13:11,187 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 91.023 -18713 9976.3 -28689 -28689 0.62542 0.10732 -0.32961 60562 2024-05-17 01:13:45,893 INFO [main.py:798]
{rank 0/64} MD step = 30300 step time: 00:00:00.346914 Performance: 23.214 ns/day 1.034 hours/ns 1.343 steps/s 2024-05-17 01:14:12,519 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 89.22 -19130 9778.7 -28909 -28909 0.62754 0.10886 -0.32975 60773 2024-05-17 01:14:49,963 INFO [main.py:798]
{rank 0/64} MD step = 30400 step time: 00:00:00.376055 Performance: 23.224 ns/day 1.033 hours/ns 1.344 steps/s 2024-05-17 01:15:19,171 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 89.415 -19056 9800 -28856 -28856 0.63036 0.10827 -0.33027 61000 2024-05-17 01:15:54,071 INFO [main.py:798]
{rank 0/64} MD step = 30500 step time: 00:00:00.349444 Performance: 23.235 ns/day 1.033 hours/ns 1.345 steps/s 2024-05-17 01:16:25,283 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 88.522 -19100 9702.1 -28802 -28802 0.63398 0.10892 -0.32996 61214 2024-05-17 01:17:00,155 INFO [main.py:798]
{rank 0/64} MD step = 30600 step time: 00:00:00.374325 Performance: 23.243 ns/day 1.033 hours/ns 1.345 steps/s 2024-05-17 01:17:19,835 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 90.129 -18785 9878.3 -28664 -28664 0.63655 0.10905 -0.33016 61443 2024-05-17 01:17:54,614 INFO [main.py:798]
{rank 0/64} MD step = 30700 step time: 00:00:00.347118 Performance: 23.263 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-17 01:18:15,439 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 90.316 -18733 9898.8 -28632 -28632 0.63954 0.109 -0.32958 61630 2024-05-17 01:18:49,689 INFO [main.py:798]
{rank 0/64} MD step = 30800 step time: 00:00:00.350495 Performance: 23.283 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-17 01:19:14,030 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 90.034 -18907 9867.9 -28775 -28775 0.64008 0.11043 -0.32769 61806 2024-05-17 01:19:48,563 INFO [main.py:798]
{rank 0/64} MD step = 30900 step time: 00:00:00.368673 Performance: 23.299 ns/day 1.030 hours/ns 1.348 steps/s 2024-05-17 01:20:39,585 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 90.787 -18970 9950.4 -28920 -28920 0.64072 0.11149 -0.32851 61985 2024-05-17 01:21:42,132 INFO [main.py:798]
{rank 0/64} MD step = 31000 step time: 00:00:00.352186 Performance: 23.259 ns/day 1.032 hours/ns 1.346 steps/s 2024-05-17 01:21:57,181 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 88.772 -19044 9729.5 -28774 -28774 0.64594 0.11086 -0.32704 62207 2024-05-17 01:22:31,795 INFO [main.py:798]
{rank 0/64} MD step = 31100 step time: 00:00:00.355581 Performance: 23.284 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-17 01:23:16,956 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 89.255 -18957 9782.4 -28739 -28739 0.64929 0.10976 -0.32616 62399 2024-05-17 01:23:51,865 INFO [main.py:798]
{rank 0/64} MD step = 31200 step time: 00:00:00.353888 Performance: 23.278 ns/day 1.031 hours/ns 1.347 steps/s 2024-05-17 01:24:11,828 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 88.123 -19136 9658.4 -28794 -28794 0.65148 0.11006 -0.32628 62606 2024-05-17 01:24:46,685 INFO [main.py:798]
{rank 0/64} MD step = 31300 step time: 00:00:00.343643 Performance: 23.297 ns/day 1.030 hours/ns 1.348 steps/s 2024-05-17 01:24:56,650 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 90.979 -18953 9971.4 -28925 -28925 0.65657 0.11197 -0.32682 62786 2024-05-17 01:25:30,996 INFO [main.py:798]
{rank 0/64} MD step = 31400 step time: 00:00:00.338394 Performance: 23.327 ns/day 1.029 hours/ns 1.350 steps/s 2024-05-17 01:25:54,304 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 89.868 -18992 9849.6 -28841 -28841 0.65945 0.11185 -0.32768 62933 2024-05-17 01:26:29,373 INFO [main.py:798]
{rank 0/64} MD step = 31500 step time: 00:00:00.381857 Performance: 23.343 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-17 01:27:16,582 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 88.665 -19019 9717.8 -28737 -28737 0.66242 0.11379 -0.32937 63160 2024-05-17 01:27:51,939 INFO [main.py:798]
{rank 0/64} MD step = 31600 step time: 00:00:00.383465 Performance: 23.334 ns/day 1.029 hours/ns 1.350 steps/s 2024-05-17 01:28:21,938 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 91.314 -18804 10008 -28812 -28812 0.66388 0.11387 -0.3287 63336 2024-05-17 01:28:56,605 INFO [main.py:798]
{rank 0/64} MD step = 31700 step time: 00:00:00.360343 Performance: 23.344 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-17 01:29:23,073 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 89.983 -19140 9862.2 -29003 -29003 0.66623 0.11559 -0.3312 63487 2024-05-17 01:29:57,818 INFO [main.py:798]
{rank 0/64} MD step = 31800 step time: 00:00:00.353814 Performance: 23.356 ns/day 1.028 hours/ns 1.352 steps/s 2024-05-17 01:30:09,850 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 89.443 -18973 9803.1 -28776 -28776 0.66842 0.11566 -0.33126 63718 2024-05-17 01:30:44,207 INFO [main.py:798]
{rank 0/64} MD step = 31900 step time: 00:00:00.335994 Performance: 23.384 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-17 01:30:59,913 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 90.045 -18850 9869.1 -28719 -28719 0.67166 0.11496 -0.33217 63929 2024-05-17 01:31:33,917 INFO [main.py:798]
{rank 0/64} MD step = 32000 step time: 00:00:00.374706 Performance: 23.408 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 01:33:51,105 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 90.022 -18697 9866.5 -28564 -28564 0.67387 0.1154 -0.33362 64148 2024-05-17 01:34:25,143 INFO [main.py:798]
{rank 0/64} MD step = 32100 step time: 00:00:00.357137 Performance: 23.312 ns/day 1.030 hours/ns 1.349 steps/s 2024-05-17 01:34:58,900 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 91.044 -18541 9978.5 -28519 -28519 0.6768 0.11545 -0.33331 64358 2024-05-17 01:35:35,923 INFO [main.py:798]
{rank 0/64} MD step = 32200 step time: 00:00:00.327091 Performance: 23.315 ns/day 1.029 hours/ns 1.349 steps/s 2024-05-17 01:35:53,145 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 89.657 -18831 9826.5 -28658 -28658 0.67848 0.1173 -0.33304 64530 2024-05-17 01:36:27,622 INFO [main.py:798]
{rank 0/64} MD step = 32300 step time: 00:00:00.356101 Performance: 23.337 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-17 01:36:41,309 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 90.406 -18958 9908.6 -28867 -28867 0.68084 0.11975 -0.33392 64742 2024-05-17 01:37:16,103 INFO [main.py:798]
{rank 0/64} MD step = 32400 step time: 00:00:00.346651 Performance: 23.362 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-17 01:37:30,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32400 6480 88.895 -19082 9743 -28825 -28825 0.68324 0.12126 -0.33552 64913 2024-05-17 01:38:05,327 INFO [main.py:798]
{rank 0/64} MD step = 32500 step time: 00:00:00.349936 Performance: 23.386 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-17 01:38:30,235 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 90.593 -18690 9929.2 -28619 -28619 0.68556 0.12279 -0.33681 65137 2024-05-17 01:39:06,411 INFO [main.py:798]
{rank 0/64} MD step = 32600 step time: 00:00:00.342731 Performance: 23.398 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-17 01:39:16,496 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 90.581 -18761 9927.8 -28688 -28688 0.68932 0.12315 -0.3383 65340 2024-05-17 01:39:50,680 INFO [main.py:798]
{rank 0/64} MD step = 32700 step time: 00:00:00.348430 Performance: 23.427 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 01:40:12,574 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 90.066 -18705 9871.4 -28577 -28577 0.69322 0.12554 -0.33904 65557 2024-05-17 01:40:47,128 INFO [main.py:798]
{rank 0/64} MD step = 32800 step time: 00:00:00.343754 Performance: 23.444 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-17 01:41:01,523 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 89.204 -18985 9776.9 -28762 -28762 0.69547 0.12616 -0.34021 65692 2024-05-17 01:41:36,401 INFO [main.py:798]
{rank 0/64} MD step = 32900 step time: 00:00:00.348758 Performance: 23.467 ns/day 1.023 hours/ns 1.358 steps/s 2024-05-17 01:42:45,572 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 89.332 -18904 9790.9 -28695 -28695 0.69731 0.12689 -0.34046 65949 2024-05-17 01:43:20,325 INFO [main.py:798]
{rank 0/64} MD step = 33000 step time: 00:00:00.345616 Performance: 23.438 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 01:43:53,578 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 88.906 -18950 9744.2 -28694 -28694 0.69871 0.12732 -0.3426 66124 2024-05-17 01:44:28,763 INFO [main.py:798]
{rank 0/64} MD step = 33100 step time: 00:00:00.350972 Performance: 23.443 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-17 01:45:05,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33100 6620 90.59 -18886 9928.8 -28815 -28815 0.7016 0.12763 -0.34484 66299 2024-05-17 01:45:47,645 INFO [main.py:798]
{rank 0/64} MD step = 33200 step time: 00:00:00.346820 Performance: 23.438 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 01:46:51,564 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 89.386 -19069 9796.8 -28866 -28866 0.70518 0.12835 -0.34562 66486 2024-05-17 01:47:26,558 INFO [main.py:798]
{rank 0/64} MD step = 33300 step time: 00:00:00.353554 Performance: 23.414 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 01:47:55,691 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 91.579 -18696 10037 -28733 -28733 0.70711 0.12886 -0.34688 66666 2024-05-17 01:48:31,130 INFO [main.py:798]
{rank 0/64} MD step = 33400 step time: 00:00:00.338860 Performance: 23.423 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 01:49:11,200 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 89.03 -19301 9757.8 -29059 -29059 0.70903 0.1297 -0.34848 66839 2024-05-17 01:49:46,030 INFO [main.py:798]
{rank 0/64} MD step = 33500 step time: 00:00:00.344902 Performance: 23.422 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 01:50:02,143 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 90.793 -18936 9951 -28887 -28887 0.70981 0.13072 -0.34962 67038 2024-05-17 01:50:37,348 INFO [main.py:798]
{rank 0/64} MD step = 33600 step time: 00:00:00.334141 Performance: 23.443 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-17 01:50:53,849 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 91.168 -18655 9992.1 -28647 -28647 0.71351 0.13128 -0.35066 67265 2024-05-17 01:51:28,429 INFO [main.py:798]
{rank 0/64} MD step = 33700 step time: 00:00:00.342668 Performance: 23.465 ns/day 1.023 hours/ns 1.358 steps/s 2024-05-17 01:52:02,500 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 92.156 -18612 10100 -28713 -28713 0.716 0.13229 -0.35436 67450 2024-05-17 01:52:40,279 INFO [main.py:798]
{rank 0/64} MD step = 33800 step time: 00:00:00.345288 Performance: 23.466 ns/day 1.023 hours/ns 1.358 steps/s 2024-05-17 01:52:48,172 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 89.886 -19047 9851.6 -28898 -28898 0.72 0.13458 -0.35604 67600 2024-05-17 01:53:22,667 INFO [main.py:798]
{rank 0/64} MD step = 33900 step time: 00:00:00.358579 Performance: 23.496 ns/day 1.021 hours/ns 1.360 steps/s 2024-05-17 01:53:36,413 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 90.004 -19005 9864.5 -28869 -28869 0.72236 0.13452 -0.35741 67839 2024-05-17 01:54:12,073 INFO [main.py:798]
{rank 0/64} MD step = 34000 step time: 00:00:00.351091 Performance: 23.518 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 01:54:21,750 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 88.885 -19230 9741.9 -28972 -28972 0.72553 0.13525 -0.35882 68033 2024-05-17 01:54:57,507 INFO [main.py:798]
{rank 0/64} MD step = 34100 step time: 00:00:00.380374 Performance: 23.545 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 01:55:26,209 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 90.94 -18959 9967.2 -28926 -28926 0.72899 0.13871 -0.36246 68211 2024-05-17 01:56:00,835 INFO [main.py:798]
{rank 0/64} MD step = 34200 step time: 00:00:00.335813 Performance: 23.554 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 01:56:18,464 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 91.061 -19117 9980.3 -29097 -29097 0.73286 0.13951 -0.36368 68388 2024-05-17 01:56:52,855 INFO [main.py:798]
{rank 0/64} MD step = 34300 step time: 00:00:00.389155 Performance: 23.574 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 01:57:22,105 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 90.257 -18997 9892.2 -28889 -28889 0.73597 0.1402 -0.3657 68590 2024-05-17 01:57:57,506 INFO [main.py:798]
{rank 0/64} MD step = 34400 step time: 00:00:00.362366 Performance: 23.582 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-17 01:58:42,532 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 88.75 -19117 9727.1 -28844 -28844 0.73937 0.13984 -0.3657 68809 2024-05-17 01:59:18,790 INFO [main.py:798]
{rank 0/64} MD step = 34500 step time: 00:00:00.364824 Performance: 23.575 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 02:00:12,150 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 89.152 -18959 9771.2 -28731 -28731 0.74404 0.14041 -0.3672 69027 2024-05-17 02:00:50,068 INFO [main.py:798]
{rank 0/64} MD step = 34600 step time: 00:00:00.330406 Performance: 23.558 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 02:01:19,282 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 91.193 -18936 9994.8 -28931 -28931 0.74831 0.14186 -0.36974 69206 2024-05-17 02:01:53,802 INFO [main.py:798]
{rank 0/64} MD step = 34700 step time: 00:00:00.359583 Performance: 23.567 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 02:02:35,662 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 90.07 -19185 9871.8 -29057 -29057 0.75345 0.14359 -0.37221 69398 2024-05-17 02:03:10,152 INFO [main.py:798]
{rank 0/64} MD step = 34800 step time: 00:00:00.342082 Performance: 23.564 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 02:04:58,175 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 90.29 -19077 9895.9 -28973 -28973 0.75625 0.14652 -0.3732 69646 2024-05-17 02:05:33,047 INFO [main.py:798]
{rank 0/64} MD step = 34900 step time: 00:00:00.333187 Performance: 23.500 ns/day 1.021 hours/ns 1.360 steps/s 2024-05-17 02:05:55,275 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 90.828 -19028 9954.8 -28982 -28982 0.75967 0.14763 -0.37484 69869 2024-05-17 02:06:31,235 INFO [main.py:798]
{rank 0/64} MD step = 35000 step time: 00:00:00.368174 Performance: 23.514 ns/day 1.021 hours/ns 1.361 steps/s 2024-05-17 02:06:52,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35000 7000 89.893 -19067 9852.4 -28919 -28919 0.76245 0.1485 -0.37663 70067 2024-05-17 02:07:38,076 INFO [main.py:798]
{rank 0/64} MD step = 35100 step time: 00:00:00.336916 Performance: 23.520 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 02:07:56,022 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 89.105 -19102 9766 -28868 -28868 0.76519 0.14782 -0.37747 70268 2024-05-17 02:08:34,017 INFO [main.py:798]
{rank 0/64} MD step = 35200 step time: 00:00:00.375169 Performance: 23.536 ns/day 1.020 hours/ns 1.362 steps/s 2024-05-17 02:09:08,009 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 91.852 -18926 10067 -28993 -28993 0.76887 0.1478 -0.37873 70478 2024-05-17 02:09:43,671 INFO [main.py:798]
{rank 0/64} MD step = 35300 step time: 00:00:00.353739 Performance: 23.540 ns/day 1.020 hours/ns 1.362 steps/s 2024-05-17 02:10:04,569 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 90.196 -18991 9885.6 -28876 -28876 0.77218 0.14747 -0.37944 70662 2024-05-17 02:10:40,641 INFO [main.py:798]
{rank 0/64} MD step = 35400 step time: 00:00:00.382384 Performance: 23.555 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 02:11:54,228 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 90.827 -18987 9954.7 -28942 -28942 0.77392 0.1486 -0.38014 70854 2024-05-17 02:12:28,705 INFO [main.py:798]
{rank 0/64} MD step = 35500 step time: 00:00:00.338436 Performance: 23.523 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 02:13:01,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35500 7100 90.489 -19009 9917.7 -28926 -28926 0.77686 0.14961 -0.38078 71030 2024-05-17 02:13:41,614 INFO [main.py:798]
{rank 0/64} MD step = 35600 step time: 00:00:00.353771 Performance: 23.524 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 02:14:25,694 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 89.581 -19207 9818.2 -29026 -29026 0.77969 0.14999 -0.38295 71221 2024-05-17 02:15:00,205 INFO [main.py:798]
{rank 0/64} MD step = 35700 step time: 00:00:00.332008 Performance: 23.519 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 02:16:24,605 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 89.435 -19393 9802.2 -29195 -29195 0.7829 0.15178 -0.38414 71389 2024-05-17 02:17:08,309 INFO [main.py:798]
{rank 0/64} MD step = 35800 step time: 00:00:00.357032 Performance: 23.470 ns/day 1.023 hours/ns 1.358 steps/s 2024-05-17 02:18:30,702 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 89.887 -19293 9851.7 -29144 -29144 0.78569 0.15164 -0.38623 71600 2024-05-17 02:19:05,227 INFO [main.py:798]
{rank 0/64} MD step = 35900 step time: 00:00:00.336493 Performance: 23.432 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 02:20:14,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35900 7180 90.345 -19077 9902 -28979 -28979 0.78865 0.15186 -0.3868 71807 2024-05-17 02:20:52,063 INFO [main.py:798]
{rank 0/64} MD step = 36000 step time: 00:00:00.374514 Performance: 23.403 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-17 02:21:07,946 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 88.736 -19291 9725.5 -29017 -29017 0.79161 0.15327 -0.38762 72058 2024-05-17 02:21:42,222 INFO [main.py:798]
{rank 0/64} MD step = 36100 step time: 00:00:00.332640 Performance: 23.424 ns/day 1.025 hours/ns 1.356 steps/s 2024-05-17 02:21:57,616 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 89.249 -19437 9781.8 -29219 -29219 0.79662 0.15245 -0.38697 72218 2024-05-17 02:22:34,922 INFO [main.py:798]
{rank 0/64} MD step = 36200 step time: 00:00:00.345789 Performance: 23.442 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-17 02:22:59,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36200 7240 88.162 -19341 9662.7 -29003 -29003 0.80065 0.15336 -0.389 72463 2024-05-17 02:23:35,994 INFO [main.py:798]
{rank 0/64} MD step = 36300 step time: 00:00:00.381359 Performance: 23.453 ns/day 1.023 hours/ns 1.357 steps/s 2024-05-17 02:24:46,479 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 90.047 -19312 9869.3 -29181 -29181 0.80405 0.15502 -0.39132 72685 2024-05-17 02:25:27,270 INFO [main.py:798]
{rank 0/64} MD step = 36400 step time: 00:00:00.339866 Performance: 23.420 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 02:26:37,669 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 89.53 -19421 9812.6 -29234 -29234 0.80665 0.15616 -0.39179 72908 2024-05-17 02:27:19,604 INFO [main.py:798]
{rank 0/64} MD step = 36500 step time: 00:00:00.351901 Performance: 23.387 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-17 02:28:12,806 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 89.372 -19397 9795.3 -29192 -29192 0.81016 0.15601 -0.39176 73084 2024-05-17 02:28:50,989 INFO [main.py:798]
{rank 0/64} MD step = 36600 step time: 00:00:00.327981 Performance: 23.372 ns/day 1.027 hours/ns 1.353 steps/s 2024-05-17 02:29:21,729 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 91.026 -19151 9976.6 -29128 -29128 0.81357 0.15679 -0.39217 73306 2024-05-17 02:29:56,314 INFO [main.py:798]
{rank 0/64} MD step = 36700 step time: 00:00:00.348757 Performance: 23.379 ns/day 1.027 hours/ns 1.353 steps/s 2024-05-17 02:30:46,286 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 91.49 -19072 10027 -29100 -29100 0.8154 0.15635 -0.39198 73508 2024-05-17 02:31:27,603 INFO [main.py:798]
{rank 0/64} MD step = 36800 step time: 00:00:00.338435 Performance: 23.364 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-17 02:32:24,642 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 90.155 -19261 9881.1 -29143 -29143 0.81753 0.15591 -0.39161 73676 2024-05-17 02:32:59,496 INFO [main.py:798]
{rank 0/64} MD step = 36900 step time: 00:00:00.350267 Performance: 23.349 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-17 02:33:33,614 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 89.706 -19218 9831.9 -29050 -29050 0.82046 0.15686 -0.39138 73865 2024-05-17 02:34:08,006 INFO [main.py:798]
{rank 0/64} MD step = 37000 step time: 00:00:00.343518 Performance: 23.354 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-17 02:34:21,681 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 90.686 -19115 9939.3 -29055 -29055 0.82256 0.1558 -0.39136 74067 2024-05-17 02:34:57,913 INFO [main.py:798]
{rank 0/64} MD step = 37100 step time: 00:00:00.342287 Performance: 23.374 ns/day 1.027 hours/ns 1.353 steps/s 2024-05-17 02:35:14,491 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 88.864 -19275 9739.6 -29015 -29015 0.82533 0.15684 -0.39031 74232 2024-05-17 02:35:53,920 INFO [main.py:798]
{rank 0/64} MD step = 37200 step time: 00:00:00.364948 Performance: 23.389 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-17 02:36:15,547 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 88.849 -19250 9738 -28988 -28988 0.82762 0.15624 -0.38966 74450 2024-05-17 02:36:50,261 INFO [main.py:798]
{rank 0/64} MD step = 37300 step time: 00:00:00.356570 Performance: 23.404 ns/day 1.025 hours/ns 1.354 steps/s 2024-05-17 02:37:13,842 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 90.41 -19059 9909 -28968 -28968 0.83085 0.15558 -0.3913 74659 2024-05-17 02:37:48,954 INFO [main.py:798]
{rank 0/64} MD step = 37400 step time: 00:00:00.344619 Performance: 23.417 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 02:39:22,912 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 90.278 -18884 9894.6 -28779 -28779 0.8333 0.1562 -0.39145 74871 2024-05-17 02:39:57,794 INFO [main.py:798]
{rank 0/64} MD step = 37500 step time: 00:00:00.349522 Performance: 23.371 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-17 02:40:34,584 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 91.152 -18671 9990.3 -28662 -28662 0.8355 0.15433 -0.39052 75068 2024-05-17 02:41:14,486 INFO [main.py:798]
{rank 0/64} MD step = 37600 step time: 00:00:00.330868 Performance: 23.368 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-17 02:41:47,466 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 89.723 -19163 9833.7 -28997 -28997 0.83826 0.15487 -0.39149 75251 2024-05-17 02:42:21,295 INFO [main.py:798]
{rank 0/64} MD step = 37700 step time: 00:00:00.337933 Performance: 23.374 ns/day 1.027 hours/ns 1.353 steps/s 2024-05-17 02:42:46,227 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 91.569 -18811 10036 -28847 -28847 0.84013 0.1555 -0.39217 75455 2024-05-17 02:43:22,366 INFO [main.py:798]
{rank 0/64} MD step = 37800 step time: 00:00:00.382544 Performance: 23.385 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-17 02:43:54,399 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 90.315 -18926 9898.7 -28825 -28825 0.84382 0.15765 -0.39277 75676 2024-05-17 02:44:29,464 INFO [main.py:798]
{rank 0/64} MD step = 37900 step time: 00:00:00.345237 Performance: 23.391 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-17 02:44:47,482 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 90.38 -18930 9905.7 -28836 -28836 0.84679 0.15753 -0.3952 75880 2024-05-17 02:45:23,255 INFO [main.py:798]
{rank 0/64} MD step = 38000 step time: 00:00:00.380457 Performance: 23.408 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 02:45:41,103 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 90.628 -18903 9932.9 -28836 -28836 0.84998 0.15786 -0.39461 76080 2024-05-17 02:46:18,860 INFO [main.py:798]
{rank 0/64} MD step = 38100 step time: 00:00:00.384462 Performance: 23.423 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 02:46:59,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38100 7620 89.586 -18938 9818.8 -28756 -28756 0.85229 0.15986 -0.39647 76264 2024-05-17 02:47:34,438 INFO [main.py:798]
{rank 0/64} MD step = 38200 step time: 00:00:00.347400 Performance: 23.421 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 02:47:54,590 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 89.87 -18891 9849.8 -28741 -28741 0.85404 0.1605 -0.39682 76486 2024-05-17 02:48:29,298 INFO [main.py:798]
{rank 0/64} MD step = 38300 step time: 00:00:00.360372 Performance: 23.437 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 02:48:46,673 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 91.344 -18875 10011 -28886 -28886 0.85729 0.16234 -0.39842 76683 2024-05-17 02:49:30,704 INFO [main.py:798]
{rank 0/64} MD step = 38400 step time: 00:00:00.354161 Performance: 23.447 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-17 02:49:56,822 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 91.121 -18987 9986.9 -28974 -28974 0.85825 0.16149 -0.39838 76885 2024-05-17 02:50:31,239 INFO [main.py:798]
{rank 0/64} MD step = 38500 step time: 00:00:00.343576 Performance: 23.458 ns/day 1.023 hours/ns 1.358 steps/s 2024-05-17 02:50:41,796 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 89.724 -18965 9833.9 -28799 -28799 0.86048 0.16219 -0.39817 77152 2024-05-17 02:51:21,074 INFO [main.py:798]
{rank 0/64} MD step = 38600 step time: 00:00:00.372420 Performance: 23.478 ns/day 1.022 hours/ns 1.359 steps/s 2024-05-17 02:52:46,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38600 7720 89.706 -19153 9831.9 -28985 -28985 0.86245 0.16346 -0.39859 77321 2024-05-17 02:53:22,878 INFO [main.py:798]
{rank 0/64} MD step = 38700 step time: 00:00:00.354350 Performance: 23.438 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 02:53:57,265 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 91.827 -18660 10064 -28725 -28725 0.8631 0.16302 -0.39865 77549 2024-05-17 02:54:32,075 INFO [main.py:798]
{rank 0/64} MD step = 38800 step time: 00:00:00.354569 Performance: 23.442 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-17 02:55:03,507 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 90.475 -19147 9916.2 -29063 -29063 0.86605 0.16342 -0.39998 77766 2024-05-17 02:55:40,436 INFO [main.py:798]
{rank 0/64} MD step = 38900 step time: 00:00:00.376808 Performance: 23.446 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-17 02:56:39,886 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 90.365 -19014 9904.1 -28918 -28918 0.86988 0.16443 -0.39949 77948 2024-05-17 02:57:25,002 INFO [main.py:798]
{rank 0/64} MD step = 39000 step time: 00:00:00.351188 Performance: 23.421 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 02:58:10,122 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 90.656 -18916 9936.1 -28852 -28852 0.87134 0.16572 -0.40002 78157 2024-05-17 02:58:44,739 INFO [main.py:798]
{rank 0/64} MD step = 39100 step time: 00:00:00.352597 Performance: 23.416 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 02:59:26,508 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 88.514 -19057 9701.2 -28759 -28759 0.8738 0.1677 -0.39952 78377 2024-05-17 03:00:01,723 INFO [main.py:798]
{rank 0/64} MD step = 39200 step time: 00:00:00.345810 Performance: 23.414 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 03:00:36,830 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 90.607 -18794 9930.6 -28725 -28725 0.8762 0.1681 -0.40057 78613 2024-05-17 03:01:11,493 INFO [main.py:798]
{rank 0/64} MD step = 39300 step time: 00:00:00.359146 Performance: 23.417 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 03:01:45,283 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 91.027 -18663 9976.7 -28640 -28640 0.87974 0.16937 -0.40189 78819 2024-05-17 03:02:20,718 INFO [main.py:798]
{rank 0/64} MD step = 39400 step time: 00:00:00.359869 Performance: 23.420 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 03:02:38,096 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 91.249 -18669 10001 -28670 -28670 0.88395 0.16951 -0.40402 79013 2024-05-17 03:03:12,413 INFO [main.py:798]
{rank 0/64} MD step = 39500 step time: 00:00:00.341516 Performance: 23.438 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 03:04:43,218 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 89.362 -18789 9794.2 -28583 -28583 0.88723 0.17058 -0.40415 79217 2024-05-17 03:05:34,716 INFO [main.py:798]
{rank 0/64} MD step = 39600 step time: 00:00:00.374286 Performance: 23.383 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-17 03:06:56,951 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 90.308 -18671 9897.8 -28569 -28569 0.89102 0.16969 -0.40558 79402 2024-05-17 03:07:34,103 INFO [main.py:798]
{rank 0/64} MD step = 39700 step time: 00:00:00.349187 Performance: 23.347 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-17 03:08:10,791 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 90.525 -18630 9921.6 -28552 -28552 0.89514 0.16866 -0.40741 79619 2024-05-17 03:08:52,371 INFO [main.py:798]
{rank 0/64} MD step = 39800 step time: 00:00:00.336742 Performance: 23.344 ns/day 1.028 hours/ns 1.351 steps/s 2024-05-17 03:09:08,581 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 89.409 -18627 9799.3 -28426 -28426 0.89876 0.16879 -0.40741 79850 2024-05-17 03:09:46,806 INFO [main.py:798]
{rank 0/64} MD step = 39900 step time: 00:00:00.354895 Performance: 23.359 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-17 03:10:19,839 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 90.791 -18661 9950.9 -28612 -28612 0.90183 0.16866 -0.41006 80043 2024-05-17 03:10:59,355 INFO [main.py:798]
{rank 0/64} MD step = 40000 step time: 00:00:00.378421 Performance: 23.360 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-17 03:11:28,199 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 88.917 -18952 9745.4 -28698 -28698 0.90857 0.16767 -0.4116 80212 2024-05-17 03:12:02,690 INFO [main.py:798]
{rank 0/64} MD step = 40100 step time: 00:00:00.348199 Performance: 23.369 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-17 03:12:36,237 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 89.131 -18938 9768.9 -28707 -28707 0.913 0.16713 -0.41317 80409 2024-05-17 03:13:10,901 INFO [main.py:798]
{rank 0/64} MD step = 40200 step time: 00:00:00.344903 Performance: 23.373 ns/day 1.027 hours/ns 1.353 steps/s 2024-05-17 03:13:28,463 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 88.767 -18766 9729 -28495 -28495 0.91596 0.1677 -0.41572 80648 2024-05-17 03:14:03,608 INFO [main.py:798]
{rank 0/64} MD step = 40300 step time: 00:00:00.376352 Performance: 23.390 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-17 03:14:25,445 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 89.889 -18713 9852 -28565 -28565 0.91999 0.16875 -0.41741 80879 2024-05-17 03:15:00,384 INFO [main.py:798]
{rank 0/64} MD step = 40400 step time: 00:00:00.329650 Performance: 23.403 ns/day 1.025 hours/ns 1.354 steps/s 2024-05-17 03:16:04,943 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 91.53 -18562 10032 -28594 -28594 0.92302 0.16903 -0.41803 81067 2024-05-17 03:16:40,726 INFO [main.py:798]
{rank 0/64} MD step = 40500 step time: 00:00:00.353845 Performance: 23.383 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-17 03:17:35,560 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 90.056 -18747 9870.3 -28617 -28617 0.92617 0.17054 -0.41999 81277 2024-05-17 03:18:13,864 INFO [main.py:798]
{rank 0/64} MD step = 40600 step time: 00:00:00.346707 Performance: 23.368 ns/day 1.027 hours/ns 1.352 steps/s 2024-05-17 03:18:35,235 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 90.903 -18749 9963.1 -28712 -28712 0.92953 0.16969 -0.42256 81454 2024-05-17 03:19:10,281 INFO [main.py:798]
{rank 0/64} MD step = 40700 step time: 00:00:00.371486 Performance: 23.381 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-17 03:19:39,103 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 90.016 -18871 9865.9 -28736 -28736 0.933 0.17079 -0.42438 81638 2024-05-17 03:20:13,893 INFO [main.py:798]
{rank 0/64} MD step = 40800 step time: 00:00:00.342778 Performance: 23.389 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-17 03:20:45,141 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 90.569 -18621 9926.5 -28548 -28548 0.93981 0.17277 -0.42551 81890 2024-05-17 03:21:28,764 INFO [main.py:798]
{rank 0/64} MD step = 40900 step time: 00:00:00.360793 Performance: 23.388 ns/day 1.026 hours/ns 1.353 steps/s 2024-05-17 03:22:05,419 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 89.031 -18903 9757.9 -28661 -28661 0.94436 0.17223 -0.42729 82046 2024-05-17 03:22:41,633 INFO [main.py:798]
{rank 0/64} MD step = 41000 step time: 00:00:00.358255 Performance: 23.389 ns/day 1.026 hours/ns 1.354 steps/s 2024-05-17 03:22:57,746 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 91.467 -18539 10025 -28564 -28564 0.94874 0.17174 -0.42966 82242 2024-05-17 03:23:33,919 INFO [main.py:798]
{rank 0/64} MD step = 41100 step time: 00:00:00.390445 Performance: 23.406 ns/day 1.025 hours/ns 1.355 steps/s 2024-05-17 03:23:43,371 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 89.543 -18867 9814 -28681 -28681 0.95255 0.1735 -0.42998 82449 2024-05-17 03:24:17,835 INFO [main.py:798]
{rank 0/64} MD step = 41200 step time: 00:00:00.341666 Performance: 23.429 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 03:24:59,858 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 89.637 -18836 9824.3 -28660 -28660 0.95609 0.17334 -0.4325 82639 2024-05-17 03:25:34,588 INFO [main.py:798]
{rank 0/64} MD step = 41300 step time: 00:00:00.360898 Performance: 23.427 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 03:26:14,338 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 90.071 -19007 9871.9 -28879 -28879 0.9593 0.1738 -0.43397 82834 2024-05-17 03:26:48,983 INFO [main.py:798]
{rank 0/64} MD step = 41400 step time: 00:00:00.362635 Performance: 23.426 ns/day 1.024 hours/ns 1.356 steps/s 2024-05-17 03:27:08,016 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 89.745 -19079 9836.2 -28915 -28915 0.95986 0.17403 -0.43557 83020 2024-05-17 03:27:42,774 INFO [main.py:798]
{rank 0/64} MD step = 41500 step time: 00:00:00.338979 Performance: 23.441 ns/day 1.024 hours/ns 1.357 steps/s 2024-05-17 03:27:55,776 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 90.346 -18775 9902.1 -28677 -28677 0.96243 0.17342 -0.43682 83263 2024-05-17 03:28:31,106 INFO [main.py:798]
{rank 0/64} MD step = 41600 step time: 00:00:00.352707 Performance: 23.461 ns/day 1.023 hours/ns 1.358 steps/s 2024-05-17 03:28:53,372 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 89.158 -18826 9771.8 -28598 -28598 0.96539 0.17584 -0.43727 83449 2024-05-17 03:29:27,496 INFO [main.py:798]
{rank 0/64} MD step = 41700 step time: 00:00:00.348347 Performance: 23.474 ns/day 1.022 hours/ns 1.358 steps/s 2024-05-17 03:30:05,545 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 89.451 -18959 9803.9 -28762 -28762 0.96752 0.17809 -0.43873 83628 2024-05-17 03:30:40,528 INFO [main.py:798]
{rank 0/64} MD step = 41800 step time: 00:00:00.359967 Performance: 23.474 ns/day 1.022 hours/ns 1.358 steps/s 2024-05-17 03:31:41,804 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 90.323 -18892 9899.5 -28792 -28792 0.97198 0.17852 -0.43993 83846 2024-05-17 03:32:24,834 INFO [main.py:798]
{rank 0/64} MD step = 41900 step time: 00:00:00.343065 Performance: 23.451 ns/day 1.023 hours/ns 1.357 steps/s 2024-05-17 03:33:00,590 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 89.984 -18689 9862.4 -28552 -28552 0.97657 0.18079 -0.44122 84118 2024-05-17 03:33:35,137 INFO [main.py:798]
{rank 0/64} MD step = 42000 step time: 00:00:00.327550 Performance: 23.454 ns/day 1.023 hours/ns 1.357 steps/s 2024-05-17 03:34:01,088 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 89.491 -19131 9808.3 -28939 -28939 0.97842 0.18051 -0.44319 84305 2024-05-17 03:34:35,630 INFO [main.py:798]
{rank 0/64} MD step = 42100 step time: 00:00:00.385067 Performance: 23.464 ns/day 1.023 hours/ns 1.358 steps/s 2024-05-17 03:34:53,023 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 89.49 -18793 9808.2 -28601 -28601 0.98263 0.18292 -0.44439 84559 2024-05-17 03:35:29,730 INFO [main.py:798]
{rank 0/64} MD step = 42200 step time: 00:00:00.382134 Performance: 23.478 ns/day 1.022 hours/ns 1.359 steps/s 2024-05-17 03:35:54,657 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 89.087 -19082 9764 -28846 -28846 0.98579 0.18376 -0.44575 84707 2024-05-17 03:36:29,490 INFO [main.py:798]
{rank 0/64} MD step = 42300 step time: 00:00:00.348444 Performance: 23.489 ns/day 1.022 hours/ns 1.359 steps/s 2024-05-17 03:36:57,843 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 90.506 -18750 9919.6 -28669 -28669 0.98958 0.18599 -0.44537 84936 2024-05-17 03:37:32,626 INFO [main.py:798]
{rank 0/64} MD step = 42400 step time: 00:00:00.356637 Performance: 23.497 ns/day 1.021 hours/ns 1.360 steps/s 2024-05-17 03:37:49,051 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 90.156 -18746 9881.2 -28628 -28628 0.99194 0.18755 -0.44494 85169 2024-05-17 03:38:24,985 INFO [main.py:798]
{rank 0/64} MD step = 42500 step time: 00:00:00.340197 Performance: 23.513 ns/day 1.021 hours/ns 1.361 steps/s 2024-05-17 03:38:42,806 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 88.407 -19353 9689.5 -29042 -29042 0.99877 0.18632 -0.44663 85331 2024-05-17 03:39:17,662 INFO [main.py:798]
{rank 0/64} MD step = 42600 step time: 00:00:00.358521 Performance: 23.528 ns/day 1.020 hours/ns 1.362 steps/s 2024-05-17 03:39:27,843 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 90.479 -18894 9916.7 -28810 -28810 1.0039 0.18786 -0.45004 85534 2024-05-17 03:40:02,402 INFO [main.py:798]
{rank 0/64} MD step = 42700 step time: 00:00:00.360568 Performance: 23.550 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 03:40:08,301 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 90.616 -18880 9931.6 -28812 -28812 1.0073 0.18826 -0.44946 85776 2024-05-17 03:40:47,420 INFO [main.py:798]
{rank 0/64} MD step = 42800 step time: 00:00:00.356384 Performance: 23.571 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 03:41:08,565 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 89.776 -18816 9839.6 -28656 -28656 1.0134 0.18912 -0.45027 85996 2024-05-17 03:41:42,956 INFO [main.py:798]
{rank 0/64} MD step = 42900 step time: 00:00:00.342024 Performance: 23.584 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-17 03:41:48,968 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 89.105 -18943 9766 -28709 -28709 1.0177 0.19105 -0.45113 86155 2024-05-17 03:42:28,412 INFO [main.py:798]
{rank 0/64} MD step = 43000 step time: 00:00:00.337219 Performance: 23.605 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-17 03:42:49,445 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 88.201 -18933 9666.9 -28600 -28600 1.0224 0.18972 -0.45186 86402 2024-05-17 03:43:23,980 INFO [main.py:798]
{rank 0/64} MD step = 43100 step time: 00:00:00.358174 Performance: 23.619 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 03:43:59,555 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 88.994 -18934 9753.9 -28687 -28687 1.0241 0.19092 -0.4541 86644 2024-05-17 03:44:34,325 INFO [main.py:798]
{rank 0/64} MD step = 43200 step time: 00:00:00.328437 Performance: 23.621 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 03:46:36,333 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 89.721 -19015 9833.5 -28849 -28849 1.0277 0.19223 -0.45639 86828 2024-05-17 03:47:11,762 INFO [main.py:798]
{rank 0/64} MD step = 43300 step time: 00:00:00.341340 Performance: 23.558 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 03:47:32,558 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 89.581 -18993 9818.2 -28811 -28811 1.0318 0.19372 -0.45656 87065 2024-05-17 03:48:08,668 INFO [main.py:798]
{rank 0/64} MD step = 43400 step time: 00:00:00.353912 Performance: 23.570 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 03:48:26,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43400 8680 90.255 -18958 9892.1 -28850 -28850 1.0357 0.19468 -0.45881 87233 2024-05-17 03:49:00,969 INFO [main.py:798]
{rank 0/64} MD step = 43500 step time: 00:00:00.354324 Performance: 23.586 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-17 03:50:10,222 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 88.872 -19080 9740.5 -28820 -28820 1.0402 0.19474 -0.45869 87439 2024-05-17 03:50:44,814 INFO [main.py:798]
{rank 0/64} MD step = 43600 step time: 00:00:00.331073 Performance: 23.563 ns/day 1.019 hours/ns 1.364 steps/s 2024-05-17 03:51:21,551 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 90.757 -18808 9947 -28755 -28755 1.044 0.19546 -0.45949 87671 2024-05-17 03:51:59,796 INFO [main.py:798]
{rank 0/64} MD step = 43700 step time: 00:00:00.351903 Performance: 23.562 ns/day 1.019 hours/ns 1.364 steps/s 2024-05-17 03:52:21,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43700 8740 90.184 -18878 9884.2 -28762 -28762 1.047 0.19666 -0.45976 87887 2024-05-17 03:52:57,962 INFO [main.py:798]
{rank 0/64} MD step = 43800 step time: 00:00:00.356886 Performance: 23.573 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 03:53:28,781 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 89.516 -18954 9811.1 -28765 -28765 1.05 0.19826 -0.46192 88080 2024-05-17 03:54:03,475 INFO [main.py:798]
{rank 0/64} MD step = 43900 step time: 00:00:00.346678 Performance: 23.579 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-17 03:54:26,832 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 89.757 -18978 9837.5 -28816 -28816 1.0543 0.19887 -0.46232 88266 2024-05-17 03:55:02,862 INFO [main.py:798]
{rank 0/64} MD step = 44000 step time: 00:00:00.347811 Performance: 23.589 ns/day 1.017 hours/ns 1.365 steps/s 2024-05-17 03:55:36,084 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 91.632 -18812 10043 -28854 -28854 1.0585 0.19944 -0.46403 88463 2024-05-17 03:56:10,989 INFO [main.py:798]
{rank 0/64} MD step = 44100 step time: 00:00:00.335376 Performance: 23.593 ns/day 1.017 hours/ns 1.365 steps/s 2024-05-17 03:56:31,756 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 91.551 -18768 10034 -28802 -28802 1.0622 0.20194 -0.46395 88666 2024-05-17 03:57:06,245 INFO [main.py:798]
{rank 0/64} MD step = 44200 step time: 00:00:00.352645 Performance: 23.606 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-17 03:57:19,792 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 91.289 -18788 10005 -28793 -28793 1.067 0.20203 -0.46258 88865 2024-05-17 03:57:54,539 INFO [main.py:798]
{rank 0/64} MD step = 44300 step time: 00:00:00.365108 Performance: 23.624 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 03:58:12,074 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 89.049 -19071 9759.9 -28831 -28831 1.0724 0.20209 -0.46391 89125 2024-05-17 03:58:48,550 INFO [main.py:798]
{rank 0/64} MD step = 44400 step time: 00:00:00.374689 Performance: 23.638 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 03:59:11,790 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 90.662 -18933 9936.6 -28870 -28870 1.0773 0.20264 -0.46436 89332 2024-05-17 03:59:46,142 INFO [main.py:798]
{rank 0/64} MD step = 44500 step time: 00:00:00.337940 Performance: 23.649 ns/day 1.015 hours/ns 1.369 steps/s 2024-05-17 04:00:02,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44500 8900 90.287 -19048 9895.6 -28944 -28944 1.0794 0.20394 -0.46597 89532 2024-05-17 04:00:39,029 INFO [main.py:798]
{rank 0/64} MD step = 44600 step time: 00:00:00.356163 Performance: 23.664 ns/day 1.014 hours/ns 1.369 steps/s 2024-05-17 04:01:32,307 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 91.285 -18993 10005 -28998 -28998 1.0828 0.20474 -0.46797 89754 2024-05-17 04:02:06,886 INFO [main.py:798]
{rank 0/64} MD step = 44700 step time: 00:00:00.368181 Performance: 23.653 ns/day 1.015 hours/ns 1.369 steps/s 2024-05-17 04:03:38,698 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 91.099 -18968 9984.6 -28953 -28953 1.0863 0.20607 -0.46928 89907 2024-05-17 04:04:13,747 INFO [main.py:798]
{rank 0/64} MD step = 44800 step time: 00:00:00.349520 Performance: 23.614 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 04:05:08,572 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 90.001 -19124 9864.2 -28988 -28988 1.0891 0.20759 -0.4702 90095 2024-05-17 04:05:43,879 INFO [main.py:798]
{rank 0/64} MD step = 44900 step time: 00:00:00.383679 Performance: 23.602 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-17 04:06:08,217 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 90.631 -19003 9933.3 -28937 -28937 1.0939 0.21045 -0.46963 90269 2024-05-17 04:06:43,553 INFO [main.py:798]
{rank 0/64} MD step = 45000 step time: 00:00:00.356982 Performance: 23.612 ns/day 1.016 hours/ns 1.366 steps/s 2024-05-17 04:07:20,314 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 89.712 -19107 9832.6 -28940 -28940 1.0987 0.21173 -0.47195 90506 2024-05-17 04:07:55,329 INFO [main.py:798]
{rank 0/64} MD step = 45100 step time: 00:00:00.365418 Performance: 23.613 ns/day 1.016 hours/ns 1.366 steps/s 2024-05-17 04:08:09,029 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 90.1 -18998 9875 -28873 -28873 1.1012 0.21281 -0.47178 90723 2024-05-17 04:08:47,784 INFO [main.py:798]
{rank 0/64} MD step = 45200 step time: 00:00:00.355469 Performance: 23.628 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 04:09:11,307 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 89.273 -19216 9784.5 -29001 -29001 1.1045 0.21561 -0.47294 90907 2024-05-17 04:09:46,037 INFO [main.py:798]
{rank 0/64} MD step = 45300 step time: 00:00:00.351632 Performance: 23.638 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 04:09:57,834 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 88.63 -19214 9713.9 -28928 -28928 1.1076 0.2163 -0.47551 91079 2024-05-17 04:10:33,963 INFO [main.py:798]
{rank 0/64} MD step = 45400 step time: 00:00:00.337153 Performance: 23.656 ns/day 1.015 hours/ns 1.369 steps/s 2024-05-17 04:10:54,801 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 89.513 -19345 9810.8 -29155 -29155 1.1125 0.21552 -0.47515 91253 2024-05-17 04:11:35,550 INFO [main.py:798]
{rank 0/64} MD step = 45500 step time: 00:00:00.385206 Performance: 23.664 ns/day 1.014 hours/ns 1.369 steps/s 2024-05-17 04:12:08,802 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 89.447 -19097 9803.5 -28900 -28900 1.1153 0.21484 -0.47802 91477 2024-05-17 04:12:43,194 INFO [main.py:798]
{rank 0/64} MD step = 45600 step time: 00:00:00.338667 Performance: 23.668 ns/day 1.014 hours/ns 1.370 steps/s 2024-05-17 04:13:37,064 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 89.884 -19129 9851.5 -28980 -28980 1.1181 0.21626 -0.47925 91654 2024-05-17 04:14:13,512 INFO [main.py:798]
{rank 0/64} MD step = 45700 step time: 00:00:00.375866 Performance: 23.656 ns/day 1.015 hours/ns 1.369 steps/s 2024-05-17 04:14:40,011 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 89.943 -19184 9857.9 -29042 -29042 1.122 0.21677 -0.4813 91832 2024-05-17 04:15:15,159 INFO [main.py:798]
{rank 0/64} MD step = 45800 step time: 00:00:00.335033 Performance: 23.664 ns/day 1.014 hours/ns 1.369 steps/s 2024-05-17 04:15:33,096 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 89.927 -18826 9856.2 -28682 -28682 1.1246 0.21796 -0.48373 92060 2024-05-17 04:16:07,872 INFO [main.py:798]
{rank 0/64} MD step = 45900 step time: 00:00:00.338472 Performance: 23.678 ns/day 1.014 hours/ns 1.370 steps/s 2024-05-17 04:16:36,407 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 89.805 -19230 9842.8 -29073 -29073 1.1272 0.21845 -0.48551 92223 2024-05-17 04:17:11,802 INFO [main.py:798]
{rank 0/64} MD step = 46000 step time: 00:00:00.361216 Performance: 23.685 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 04:17:50,073 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 90.647 -18926 9935 -28861 -28861 1.1291 0.21932 -0.48444 92443 2024-05-17 04:18:24,640 INFO [main.py:798]
{rank 0/64} MD step = 46100 step time: 00:00:00.344308 Performance: 23.685 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 04:19:31,273 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 90.414 -18948 9909.5 -28857 -28857 1.1288 0.21975 -0.48483 92681 2024-05-17 04:20:21,331 INFO [main.py:798]
{rank 0/64} MD step = 46200 step time: 00:00:00.384713 Performance: 23.654 ns/day 1.015 hours/ns 1.369 steps/s 2024-05-17 04:20:49,663 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 88.711 -19055 9722.8 -28778 -28778 1.1329 0.22167 -0.48628 92888 2024-05-17 04:21:25,347 INFO [main.py:798]
{rank 0/64} MD step = 46300 step time: 00:00:00.355525 Performance: 23.660 ns/day 1.014 hours/ns 1.369 steps/s 2024-05-17 04:21:29,139 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 91.55 -18742 10034 -28776 -28776 1.1377 0.22423 -0.48848 93100 2024-05-17 04:22:06,542 INFO [main.py:798]
{rank 0/64} MD step = 46400 step time: 00:00:00.344204 Performance: 23.683 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 04:22:40,148 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 89.318 -19163 9789.4 -28953 -28953 1.1413 0.22515 -0.48989 93293 2024-05-17 04:23:14,458 INFO [main.py:798]
{rank 0/64} MD step = 46500 step time: 00:00:00.359066 Performance: 23.686 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 04:23:30,631 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 90.417 -19098 9909.8 -29008 -29008 1.1451 0.22484 -0.48999 93491 2024-05-17 04:24:06,802 INFO [main.py:798]
{rank 0/64} MD step = 46600 step time: 00:00:00.355523 Performance: 23.700 ns/day 1.013 hours/ns 1.372 steps/s 2024-05-17 04:24:24,063 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 89.76 -19241 9837.8 -29079 -29079 1.1492 0.22565 -0.49108 93662 2024-05-17 04:24:58,820 INFO [main.py:798]
{rank 0/64} MD step = 46700 step time: 00:00:00.372925 Performance: 23.715 ns/day 1.012 hours/ns 1.372 steps/s 2024-05-17 04:25:47,041 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 90.514 -18881 9920.5 -28802 -28802 1.1524 0.22694 -0.49167 93912 2024-05-17 04:26:27,961 INFO [main.py:798]
{rank 0/64} MD step = 46800 step time: 00:00:00.368863 Performance: 23.704 ns/day 1.013 hours/ns 1.372 steps/s 2024-05-17 04:27:17,814 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 90.193 -19115 9885.2 -29001 -29001 1.1555 0.22851 -0.49167 94075 2024-05-17 04:27:55,813 INFO [main.py:798]
{rank 0/64} MD step = 46900 step time: 00:00:00.340577 Performance: 23.693 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 04:28:37,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46900 9380 89.501 -19065 9809.4 -28874 -28874 1.1576 0.22924 -0.4917 94313 2024-05-17 04:29:13,593 INFO [main.py:798]
{rank 0/64} MD step = 47000 step time: 00:00:00.353133 Performance: 23.690 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 04:29:37,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47000 9400 90.928 -19067 9965.9 -29033 -29033 1.1603 0.23175 -0.49285 94515 2024-05-17 04:30:26,274 INFO [main.py:798]
{rank 0/64} MD step = 47100 step time: 00:00:00.336838 Performance: 23.690 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 04:31:37,892 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 90.18 -19206 9883.8 -29090 -29090 1.1641 0.23174 -0.49325 94704 2024-05-17 04:32:12,320 INFO [main.py:798]
{rank 0/64} MD step = 47200 step time: 00:00:00.351296 Performance: 23.667 ns/day 1.014 hours/ns 1.370 steps/s 2024-05-17 04:33:47,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47200 9440 90.777 -19069 9949.3 -29018 -29018 1.168 0.23344 -0.49589 94936 2024-05-17 04:34:29,396 INFO [main.py:798]
{rank 0/64} MD step = 47300 step time: 00:00:00.349883 Performance: 23.624 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 04:35:40,498 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 90.857 -18955 9958 -28913 -28913 1.1714 0.23403 -0.49681 95109 2024-05-17 04:36:15,287 INFO [main.py:798]
{rank 0/64} MD step = 47400 step time: 00:00:00.357725 Performance: 23.601 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-17 04:36:22,266 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 90.396 -19080 9907.6 -28988 -28988 1.1752 0.2362 -0.4965 95259 2024-05-17 04:36:56,950 INFO [main.py:798]
{rank 0/64} MD step = 47500 step time: 00:00:00.372140 Performance: 23.623 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 04:37:15,797 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 90.658 -18875 9936.2 -28811 -28811 1.1806 0.23851 -0.49694 95530 2024-05-17 04:37:50,381 INFO [main.py:798]
{rank 0/64} MD step = 47600 step time: 00:00:00.342060 Performance: 23.636 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 04:39:02,108 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 87.88 -19336 9631.8 -28968 -28968 1.1819 0.23824 -0.49732 95721 2024-05-17 04:39:38,807 INFO [main.py:798]
{rank 0/64} MD step = 47700 step time: 00:00:00.348049 Performance: 23.612 ns/day 1.016 hours/ns 1.366 steps/s 2024-05-17 04:40:18,111 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 90.128 -19083 9878.2 -28961 -28961 1.1886 0.237 -0.49967 95899 2024-05-17 04:40:59,740 INFO [main.py:798]
{rank 0/64} MD step = 47800 step time: 00:00:00.348882 Performance: 23.607 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-17 04:41:07,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47800 9560 89.824 -19177 9844.8 -29022 -29022 1.1918 0.23818 -0.50178 96128 2024-05-17 04:41:42,460 INFO [main.py:798]
{rank 0/64} MD step = 47900 step time: 00:00:00.354485 Performance: 23.628 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 04:42:03,119 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 88.969 -19126 9751.1 -28877 -28877 1.1947 0.23718 -0.50167 96319 2024-05-17 04:42:46,473 INFO [main.py:798]
{rank 0/64} MD step = 48000 step time: 00:00:00.330812 Performance: 23.634 ns/day 1.016 hours/ns 1.368 steps/s 2024-05-17 04:43:24,711 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 90.281 -19211 9894.9 -29106 -29106 1.1985 0.23813 -0.50247 96466 2024-05-17 04:44:08,848 INFO [main.py:798]
{rank 0/64} MD step = 48100 step time: 00:00:00.328017 Performance: 23.627 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 04:44:33,662 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 90.029 -19473 9867.3 -29340 -29340 1.2017 0.23977 -0.50377 96625 2024-05-17 04:45:20,174 INFO [main.py:798]
{rank 0/64} MD step = 48200 step time: 00:00:00.378227 Performance: 23.629 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 04:45:54,420 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 88.439 -19318 9693 -29011 -29011 1.2056 0.24005 -0.50424 96868 2024-05-17 04:46:30,559 INFO [main.py:798]
{rank 0/64} MD step = 48300 step time: 00:00:00.355768 Performance: 23.630 ns/day 1.016 hours/ns 1.368 steps/s 2024-05-17 04:47:01,441 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 89.199 -19206 9776.3 -28983 -28983 1.2085 0.24116 -0.50362 97076 2024-05-17 04:47:40,014 INFO [main.py:798]
{rank 0/64} MD step = 48400 step time: 00:00:00.365750 Performance: 23.633 ns/day 1.016 hours/ns 1.368 steps/s 2024-05-17 04:48:02,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48400 9680 89.982 -19026 9862.2 -28888 -28888 1.2127 0.24213 -0.50494 97279 2024-05-17 04:48:38,310 INFO [main.py:798]
{rank 0/64} MD step = 48500 step time: 00:00:00.377963 Performance: 23.643 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 04:49:29,332 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 90.209 -19119 9887.1 -29006 -29006 1.2155 0.24461 -0.50601 97460 2024-05-17 04:50:08,148 INFO [main.py:798]
{rank 0/64} MD step = 48600 step time: 00:00:00.349689 Performance: 23.632 ns/day 1.016 hours/ns 1.368 steps/s 2024-05-17 04:50:29,836 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 90.188 -19277 9884.7 -29162 -29162 1.2174 0.24653 -0.507 97645 2024-05-17 04:51:04,950 INFO [main.py:798]
{rank 0/64} MD step = 48700 step time: 00:00:00.377761 Performance: 23.642 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 04:51:31,303 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 92.225 -18828 10108 -28936 -28936 1.2207 0.24849 -0.50807 97865 2024-05-17 04:52:07,298 INFO [main.py:798]
{rank 0/64} MD step = 48800 step time: 00:00:00.340933 Performance: 23.650 ns/day 1.015 hours/ns 1.369 steps/s 2024-05-17 04:52:22,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48800 9760 89.359 -19298 9793.9 -29092 -29092 1.2243 0.24923 -0.50915 98061 2024-05-17 04:52:58,060 INFO [main.py:798]
{rank 0/64} MD step = 48900 step time: 00:00:00.337221 Performance: 23.664 ns/day 1.014 hours/ns 1.369 steps/s 2024-05-17 04:55:13,806 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 90.655 -18931 9935.9 -28867 -28867 1.2264 0.24891 -0.50975 98264 2024-05-17 04:55:55,928 INFO [main.py:798]
{rank 0/64} MD step = 49000 step time: 00:00:00.351814 Performance: 23.595 ns/day 1.017 hours/ns 1.365 steps/s 2024-05-17 04:56:06,824 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 89.409 -19328 9799.3 -29127 -29127 1.2284 0.24982 -0.51045 98443 2024-05-17 04:56:42,802 INFO [main.py:798]
{rank 0/64} MD step = 49100 step time: 00:00:00.375837 Performance: 23.613 ns/day 1.016 hours/ns 1.366 steps/s 2024-05-17 04:57:54,791 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 90.975 -19145 9971 -29116 -29116 1.2342 0.25092 -0.50904 98670 2024-05-17 04:58:34,335 INFO [main.py:798]
{rank 0/64} MD step = 49200 step time: 00:00:00.357417 Performance: 23.587 ns/day 1.017 hours/ns 1.365 steps/s 2024-05-17 04:59:36,754 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 89.253 -19153 9782.2 -28935 -28935 1.2382 0.25132 -0.5103 98887 2024-05-17 05:00:12,776 INFO [main.py:798]
{rank 0/64} MD step = 49300 step time: 00:00:00.378527 Performance: 23.571 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 05:01:33,430 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 90.567 -18992 9926.3 -28919 -28919 1.2421 0.25175 -0.51256 99093 2024-05-17 05:02:08,155 INFO [main.py:798]
{rank 0/64} MD step = 49400 step time: 00:00:00.372359 Performance: 23.544 ns/day 1.019 hours/ns 1.362 steps/s 2024-05-17 05:03:01,067 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 90.279 -18821 9894.7 -28716 -28716 1.2459 0.25401 -0.51462 99338 2024-05-17 05:03:35,285 INFO [main.py:798]
{rank 0/64} MD step = 49500 step time: 00:00:00.354645 Performance: 23.535 ns/day 1.020 hours/ns 1.362 steps/s 2024-05-17 05:03:42,498 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 89.25 -18865 9781.9 -28647 -28647 1.248 0.25444 -0.51603 99531 2024-05-17 05:04:18,507 INFO [main.py:798]
{rank 0/64} MD step = 49600 step time: 00:00:00.364067 Performance: 23.554 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 05:04:37,459 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 87.772 -19221 9619.9 -28841 -28841 1.2507 0.2564 -0.51729 99683 2024-05-17 05:05:13,563 INFO [main.py:798]
{rank 0/64} MD step = 49700 step time: 00:00:00.336105 Performance: 23.566 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 05:05:28,967 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 91.401 -18863 10018 -28881 -28881 1.2545 0.25573 -0.51903 99900 2024-05-17 05:06:05,726 INFO [main.py:798]
{rank 0/64} MD step = 49800 step time: 00:00:00.346770 Performance: 23.580 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-17 05:06:14,633 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 89.392 -19005 9797.4 -28802 -28802 1.2585 0.25664 -0.52046 1.0007e+05 2024-05-17 05:06:53,862 INFO [main.py:798]
{rank 0/64} MD step = 49900 step time: 00:00:00.355115 Performance: 23.596 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-17 05:07:14,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49900 9980 90.222 -19018 9888.5 -28907 -28907 1.2631 0.25872 -0.52197 1.0023e+05 2024-05-17 05:07:48,619 INFO [main.py:798]
{rank 0/64} MD step = 50000 step time: 00:00:00.335906 Performance: 23.608 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-17 05:09:00,635 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 90.576 -18950 9927.2 -28877 -28877 1.2655 0.26069 -0.52193 1.004e+05 2024-05-17 05:09:35,625 INFO [main.py:798]
{rank 0/64} MD step = 50100 step time: 00:00:00.349085 Performance: 23.586 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-17 05:10:13,694 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 89.755 -19193 9837.3 -29030 -29030 1.2663 0.25973 -0.52246 1.0062e+05 2024-05-17 05:10:50,338 INFO [main.py:798]
{rank 0/64} MD step = 50200 step time: 00:00:00.339955 Performance: 23.585 ns/day 1.018 hours/ns 1.365 steps/s 2024-05-17 05:12:38,643 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 89.055 -19232 9760.5 -28993 -28993 1.2701 0.26137 -0.52359 1.0082e+05 2024-05-17 05:13:20,409 INFO [main.py:798]
{rank 0/64} MD step = 50300 step time: 00:00:00.345084 Performance: 23.536 ns/day 1.020 hours/ns 1.362 steps/s 2024-05-17 05:14:30,866 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 90.17 -19025 9882.8 -28908 -28908 1.2724 0.26186 -0.52292 1.0103e+05 2024-05-17 05:15:07,897 INFO [main.py:798]
{rank 0/64} MD step = 50400 step time: 00:00:00.332416 Performance: 23.515 ns/day 1.021 hours/ns 1.361 steps/s 2024-05-17 05:15:53,401 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 89.619 -19285 9822.3 -29108 -29108 1.2752 0.26287 -0.52432 1.0119e+05 2024-05-17 05:16:30,202 INFO [main.py:798]
{rank 0/64} MD step = 50500 step time: 00:00:00.330344 Performance: 23.509 ns/day 1.021 hours/ns 1.360 steps/s 2024-05-17 05:16:48,563 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 90.295 -19102 9896.5 -28999 -28999 1.2788 0.26253 -0.5238 1.0143e+05 2024-05-17 05:17:23,004 INFO [main.py:798]
{rank 0/64} MD step = 50600 step time: 00:00:00.342411 Performance: 23.522 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 05:18:01,115 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 90.524 -19204 9921.5 -29125 -29125 1.282 0.26318 -0.52439 1.0161e+05 2024-05-17 05:18:37,079 INFO [main.py:798]
{rank 0/64} MD step = 50700 step time: 00:00:00.326698 Performance: 23.522 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 05:19:09,972 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 89.523 -19254 9811.8 -29066 -29066 1.285 0.26312 -0.5246 1.0186e+05 2024-05-17 05:19:45,364 INFO [main.py:798]
{rank 0/64} MD step = 50800 step time: 00:00:00.351216 Performance: 23.525 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 05:20:26,622 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 90.58 -18952 9927.7 -28880 -28880 1.287 0.26381 -0.52577 1.0206e+05 2024-05-17 05:21:01,319 INFO [main.py:798]
{rank 0/64} MD step = 50900 step time: 00:00:00.354133 Performance: 23.523 ns/day 1.020 hours/ns 1.361 steps/s 2024-05-17 05:21:20,214 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 89.847 -19018 9847.4 -28866 -28866 1.2895 0.26661 -0.52719 1.0224e+05 2024-05-17 05:21:57,984 INFO [main.py:798]
{rank 0/64} MD step = 51000 step time: 00:00:00.328997 Performance: 23.534 ns/day 1.020 hours/ns 1.362 steps/s 2024-05-17 05:22:34,619 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 89.177 -19212 9773.9 -28986 -28986 1.293 0.26762 -0.5285 1.0242e+05 2024-05-17 05:23:09,662 INFO [main.py:798]
{rank 0/64} MD step = 51100 step time: 00:00:00.350921 Performance: 23.535 ns/day 1.020 hours/ns 1.362 steps/s 2024-05-17 05:23:43,012 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 89.413 -18974 9799.8 -28774 -28774 1.2964 0.26948 -0.52798 1.0266e+05 2024-05-17 05:24:20,000 INFO [main.py:798]
{rank 0/64} MD step = 51200 step time: 00:00:00.382933 Performance: 23.537 ns/day 1.020 hours/ns 1.362 steps/s 2024-05-17 05:24:31,115 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 89.751 -18864 9836.9 -28701 -28701 1.2992 0.27017 -0.52846 1.0288e+05 2024-05-17 05:25:07,718 INFO [main.py:798]
{rank 0/64} MD step = 51300 step time: 00:00:00.335864 Performance: 23.553 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 05:25:58,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51300 10260 89.91 -18954 9854.3 -28808 -28808 1.3038 0.27068 -0.52906 1.0307e+05 2024-05-17 05:26:39,815 INFO [main.py:798]
{rank 0/64} MD step = 51400 step time: 00:00:00.351863 Performance: 23.541 ns/day 1.019 hours/ns 1.362 steps/s 2024-05-17 05:26:51,599 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 89.027 -19182 9757.5 -28940 -28940 1.3065 0.2708 -0.53142 1.0324e+05 2024-05-17 05:27:26,450 INFO [main.py:798]
{rank 0/64} MD step = 51500 step time: 00:00:00.349703 Performance: 23.558 ns/day 1.019 hours/ns 1.363 steps/s 2024-05-17 05:27:40,982 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 91.518 -18981 10031 -29012 -29012 1.3105 0.27118 -0.53214 1.0347e+05 2024-05-17 05:28:20,068 INFO [main.py:798]
{rank 0/64} MD step = 51600 step time: 00:00:00.333256 Performance: 23.570 ns/day 1.018 hours/ns 1.364 steps/s 2024-05-17 05:28:29,509 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 89.972 -19104 9861 -28965 -28965 1.314 0.27181 -0.5327 1.0368e+05 2024-05-17 05:29:04,319 INFO [main.py:798]
{rank 0/64} MD step = 51700 step time: 00:00:00.350360 Performance: 23.588 ns/day 1.017 hours/ns 1.365 steps/s 2024-05-17 05:29:18,713 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 89.056 -19213 9760.7 -28974 -28974 1.3169 0.27247 -0.53249 1.0383e+05 2024-05-17 05:29:54,082 INFO [main.py:798]
{rank 0/64} MD step = 51800 step time: 00:00:00.350212 Performance: 23.603 ns/day 1.017 hours/ns 1.366 steps/s 2024-05-17 05:30:07,058 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 89.663 -19107 9827.2 -28934 -28934 1.3204 0.27365 -0.5323 1.0401e+05 2024-05-17 05:30:42,458 INFO [main.py:798]
{rank 0/64} MD step = 51900 step time: 00:00:00.355861 Performance: 23.618 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 05:30:50,464 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 89.76 -19053 9837.8 -28891 -28891 1.3215 0.27333 -0.53331 1.0423e+05 2024-05-17 05:31:27,749 INFO [main.py:798]
{rank 0/64} MD step = 52000 step time: 00:00:00.352561 Performance: 23.636 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 05:31:47,326 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 89.229 -18959 9779.6 -28738 -28738 1.3229 0.27383 -0.53524 1.0443e+05 2024-05-17 05:32:24,711 INFO [main.py:798]
{rank 0/64} MD step = 52100 step time: 00:00:00.377669 Performance: 23.646 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 05:32:45,570 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 89.807 -19055 9843 -28898 -28898 1.325 0.27327 -0.53725 1.0461e+05 2024-05-17 05:33:20,626 INFO [main.py:798]
{rank 0/64} MD step = 52200 step time: 00:00:00.328791 Performance: 23.656 ns/day 1.015 hours/ns 1.369 steps/s 2024-05-17 05:33:31,753 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 90.521 -18980 9921.2 -28901 -28901 1.3285 0.27453 -0.53692 1.0485e+05 2024-05-17 05:34:06,947 INFO [main.py:798]
{rank 0/64} MD step = 52300 step time: 00:00:00.365123 Performance: 23.673 ns/day 1.014 hours/ns 1.370 steps/s 2024-05-17 05:34:57,947 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 88.428 -19076 9691.8 -28768 -28768 1.3303 0.27683 -0.53662 1.0504e+05 2024-05-17 05:35:33,043 INFO [main.py:798]
{rank 0/64} MD step = 52400 step time: 00:00:00.335631 Performance: 23.665 ns/day 1.014 hours/ns 1.369 steps/s 2024-05-17 05:35:49,587 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 89.941 -18872 9857.6 -28730 -28730 1.3349 0.27671 -0.53752 1.0521e+05 2024-05-17 05:36:24,523 INFO [main.py:798]
{rank 0/64} MD step = 52500 step time: 00:00:00.358786 Performance: 23.678 ns/day 1.014 hours/ns 1.370 steps/s 2024-05-17 05:37:56,574 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 89.954 -18993 9859.1 -28852 -28852 1.3371 0.27803 -0.53882 1.0544e+05 2024-05-17 05:38:32,274 INFO [main.py:798]
{rank 0/64} MD step = 52600 step time: 00:00:00.347131 Performance: 23.644 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 05:39:53,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52600 10520 90.25 -19058 9891.6 -28949 -28949 1.3407 0.27911 -0.54041 1.056e+05 2024-05-17 05:40:29,162 INFO [main.py:798]
{rank 0/64} MD step = 52700 step time: 00:00:00.374987 Performance: 23.618 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 05:40:47,703 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 89.85 -19033 9847.7 -28880 -28880 1.3434 0.27807 -0.53999 1.0582e+05 2024-05-17 05:41:23,742 INFO [main.py:798]
{rank 0/64} MD step = 52800 step time: 00:00:00.374631 Performance: 23.629 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 05:42:04,017 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 90.056 -18868 9870.2 -28738 -28738 1.3452 0.27922 -0.54002 1.0604e+05 2024-05-17 05:42:46,285 INFO [main.py:798]
{rank 0/64} MD step = 52900 step time: 00:00:00.335011 Performance: 23.623 ns/day 1.016 hours/ns 1.367 steps/s 2024-05-17 05:43:00,527 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 90.776 -18931 9949.2 -28880 -28880 1.3479 0.27815 -0.54106 1.0623e+05 2024-05-17 05:43:35,588 INFO [main.py:798]
{rank 0/64} MD step = 53000 step time: 00:00:00.349139 Performance: 23.638 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 05:43:48,532 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 90.276 -18878 9894.4 -28773 -28773 1.3489 0.27857 -0.54169 1.0642e+05 2024-05-17 05:44:34,638 INFO [main.py:798]
{rank 0/64} MD step = 53100 step time: 00:00:00.372267 Performance: 23.646 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 05:44:43,132 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 90.337 -18893 9901 -28794 -28794 1.3533 0.2795 -0.54206 1.066e+05 2024-05-17 05:45:18,096 INFO [main.py:798]
{rank 0/64} MD step = 53200 step time: 00:00:00.342876 Performance: 23.664 ns/day 1.014 hours/ns 1.369 steps/s 2024-05-17 05:46:41,729 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 90.751 -18998 9946.4 -28944 -28944 1.3565 0.28027 -0.54315 1.0681e+05 2024-05-17 05:47:18,505 INFO [main.py:798]
{rank 0/64} MD step = 53300 step time: 00:00:00.356345 Performance: 23.636 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 05:47:44,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53300 10660 90.203 -19158 9886.4 -29045 -29045 1.3585 0.28101 -0.54453 1.0698e+05 2024-05-17 05:48:19,697 INFO [main.py:798]
{rank 0/64} MD step = 53400 step time: 00:00:00.335872 Performance: 23.643 ns/day 1.015 hours/ns 1.368 steps/s 2024-05-17 05:48:33,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53400 10680 89.671 -19249 9828.1 -29077 -29077 1.3617 0.28226 -0.54539 1.0721e+05 2024-05-17 05:49:08,427 INFO [main.py:798]
{rank 0/64} MD step = 53500 step time: 00:00:00.373690 Performance: 23.657 ns/day 1.014 hours/ns 1.369 steps/s 2024-05-17 05:49:25,201 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 90.376 -19036 9905.3 -28941 -28941 1.3662 0.28244 -0.54541 1.0743e+05 2024-05-17 05:50:02,442 INFO [main.py:798]
{rank 0/64} MD step = 53600 step time: 00:00:00.376955 Performance: 23.669 ns/day 1.014 hours/ns 1.370 steps/s 2024-05-17 05:50:14,462 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 89.81 -19085 9843.3 -28928 -28928 1.3689 0.28369 -0.54771 1.0762e+05 2024-05-17 05:50:52,624 INFO [main.py:798]
{rank 0/64} MD step = 53700 step time: 00:00:00.389925 Performance: 23.683 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 05:51:26,031 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 89.732 -19371 9834.7 -29206 -29206 1.3723 0.28379 -0.54856 1.0781e+05 2024-05-17 05:52:00,759 INFO [main.py:798]
{rank 0/64} MD step = 53800 step time: 00:00:00.363524 Performance: 23.686 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 05:52:27,326 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 89.898 -19335 9852.9 -29188 -29188 1.3754 0.28424 -0.55085 1.0802e+05 2024-05-17 05:53:01,795 INFO [main.py:798]
{rank 0/64} MD step = 53900 step time: 00:00:00.354375 Performance: 23.693 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 05:53:12,467 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 89.272 -19474 9784.3 -29258 -29258 1.3785 0.28443 -0.55331 1.0822e+05 2024-05-17 05:53:48,387 INFO [main.py:798]
{rank 0/64} MD step = 54000 step time: 00:00:00.333876 Performance: 23.709 ns/day 1.012 hours/ns 1.372 steps/s 2024-05-17 05:54:04,476 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 89.992 -19367 9863.3 -29230 -29230 1.3808 0.28455 -0.55375 1.0838e+05 2024-05-17 05:54:39,329 INFO [main.py:798]
{rank 0/64} MD step = 54100 step time: 00:00:00.349878 Performance: 23.722 ns/day 1.012 hours/ns 1.373 steps/s 2024-05-17 05:55:01,228 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 89.828 -19178 9845.2 -29023 -29023 1.3836 0.28432 -0.55531 1.0859e+05 2024-05-17 05:55:38,299 INFO [main.py:798]
{rank 0/64} MD step = 54200 step time: 00:00:00.352353 Performance: 23.730 ns/day 1.011 hours/ns 1.373 steps/s 2024-05-17 05:57:05,531 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 90.386 -19143 9906.4 -29049 -29049 1.3847 0.2855 -0.55504 1.0878e+05 2024-05-17 05:57:40,755 INFO [main.py:798]
{rank 0/64} MD step = 54300 step time: 00:00:00.340362 Performance: 23.701 ns/day 1.013 hours/ns 1.372 steps/s 2024-05-17 05:58:34,068 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 91.394 -19055 10017 -29072 -29072 1.388 0.28575 -0.55559 1.0901e+05 2024-05-17 05:59:11,814 INFO [main.py:798]
{rank 0/64} MD step = 54400 step time: 00:00:00.333834 Performance: 23.690 ns/day 1.013 hours/ns 1.371 steps/s 2024-05-17 05:59:27,269 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 90.717 -19153 9942.7 -29095 -29095 1.3901 0.28741 -0.55556 1.0921e+05 2024-05-17 06:00:01,794 INFO [main.py:798]
{rank 0/64} MD step = 54500 step time: 00:00:00.368187 Performance: 23.703 ns/day 1.013 hours/ns 1.372 steps/s 2024-05-17 06:00:16,377 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 88.841 -19376 9737.1 -29113 -29113 1.3927 0.28682 -0.55434 1.0942e+05 2024-05-17 06:00:52,899 INFO [main.py:798]
{rank 0/64} MD step = 54600 step time: 00:00:00.339562 Performance: 23.716 ns/day 1.012 hours/ns 1.372 steps/s 2024-05-17 06:01:19,734 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 89.601 -19131 9820.3 -28952 -28952 1.3962 0.28828 -0.55428 1.0965e+05 2024-05-17 06:02:05,563 INFO [main.py:798]
{rank 0/64} MD step = 54700 step time: 00:00:00.382923 Performance: 23.716 ns/day 1.012 hours/ns 1.372 steps/s 2024-05-17 06:02:26,095 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 89.131 -19386 9768.9 -29155 -29155 1.4005 0.28959 -0.55527 1.0983e+05 2024-05-17 06:03:02,183 INFO [main.py:798]
{rank 0/64} MD step = 54800 step time: 00:00:00.353533 Performance: 23.726 ns/day 1.012 hours/ns 1.373 steps/s 2024-05-17 06:03:24,346 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 90.68 -19040 9938.7 -28979 -28979 1.4014 0.28891 -0.5559 1.1002e+05 2024-05-17 06:04:00,035 INFO [main.py:798]
{rank 0/64} MD step = 54900 step time: 00:00:00.352381 Performance: 23.735 ns/day 1.011 hours/ns 1.374 steps/s 2024-05-17 06:04:31,810 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 90.726 -19083 9943.7 -29027 -29027 1.4032 0.28851 -0.55681 1.1022e+05 2024-05-17 06:05:11,328 INFO [main.py:798]
{rank 0/64} MD step = 55000 step time: 00:00:00.353994 Performance: 23.736 ns/day 1.011 hours/ns 1.374 steps/s 2024-05-17 06:05:37,388 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 90.324 -19070 9899.6 -28970 -28970 1.4065 0.29015 -0.55733 1.1043e+05 2024-05-17 06:06:12,352 INFO [main.py:798]
{rank 0/64} MD step = 55100 step time: 00:00:00.344896 Performance: 23.743 ns/day 1.011 hours/ns 1.374 steps/s 2024-05-17 06:06:55,075 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 91.172 -18982 9992.6 -28975 -28975 1.409 0.29121 -0.56041 1.1064e+05 2024-05-17 06:07:31,968 INFO [main.py:798]
{rank 0/64} MD step = 55200 step time: 00:00:00.354047 Performance: 23.739 ns/day 1.011 hours/ns 1.374 steps/s 2024-05-17 06:07:44,415 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 89.817 -19194 9844.1 -29038 -29038 1.4126 0.29143 -0.56265 1.1082e+05 2024-05-17 06:08:18,707 INFO [main.py:798]
{rank 0/64} MD step = 55300 step time: 00:00:00.355846 Performance: 23.754 ns/day 1.010 hours/ns 1.375 steps/s 2024-05-17 06:08:29,245 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 90.657 -19009 9936.1 -28945 -28945 1.4152 0.2923 -0.56426 1.1104e+05 2024-05-17 06:09:04,950 INFO [main.py:798]
{rank 0/64} MD step = 55400 step time: 00:00:00.360744 Performance: 23.770 ns/day 1.010 hours/ns 1.376 steps/s 2024-05-17 06:09:18,816 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 91.558 -18603 10035 -28638 -28638 1.4188 0.29444 -0.56562 1.1128e+05 2024-05-17 06:09:55,732 INFO [main.py:798]
{rank 0/64} MD step = 55500 step time: 00:00:00.367545 Performance: 23.783 ns/day 1.009 hours/ns 1.376 steps/s 2024-05-17 06:10:26,179 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 90.545 -18797 9923.8 -28720 -28720 1.4206 0.29651 -0.56592 1.1142e+05 2024-05-17 06:11:07,909 INFO [main.py:798]
{rank 0/64} MD step = 55600 step time: 00:00:00.340030 Performance: 23.783 ns/day 1.009 hours/ns 1.376 steps/s 2024-05-17 06:11:28,561 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 89.753 -18984 9837.1 -28821 -28821 1.4229 0.29674 -0.56615 1.1162e+05 2024-05-17 06:12:03,709 INFO [main.py:798]
{rank 0/64} MD step = 55700 step time: 00:00:00.345393 Performance: 23.793 ns/day 1.009 hours/ns 1.377 steps/s 2024-05-17 06:12:34,496 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 89.564 -19133 9816.3 -28949 -28949 1.4262 0.29703 -0.56636 1.1184e+05 2024-05-17 06:13:12,113 INFO [main.py:798]
{rank 0/64} MD step = 55800 step time: 00:00:00.344529 Performance: 23.795 ns/day 1.009 hours/ns 1.377 steps/s 2024-05-17 06:13:21,510 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 89.809 -19038 9843.2 -28882 -28882 1.428 0.29964 -0.5675 1.1207e+05 2024-05-17 06:13:55,934 INFO [main.py:798]
{rank 0/64} MD step = 55900 step time: 00:00:00.354171 Performance: 23.812 ns/day 1.008 hours/ns 1.378 steps/s 2024-05-17 06:14:04,311 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 90.095 -19027 9874.5 -28902 -28902 1.4296 0.3012 -0.56895 1.1225e+05 2024-05-17 06:14:38,533 INFO [main.py:798]
{rank 0/64} MD step = 56000 step time: 00:00:00.353818 Performance: 23.830 ns/day 1.007 hours/ns 1.379 steps/s 2024-05-17 06:15:03,338 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 91.539 -18910 10033 -28943 -28943 1.4311 0.30106 -0.56883 1.1248e+05 2024-05-17 06:15:37,970 INFO [main.py:798]
{rank 0/64} MD step = 56100 step time: 00:00:00.358031 Performance: 23.838 ns/day 1.007 hours/ns 1.379 steps/s 2024-05-17 06:15:49,941 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 89.493 -19096 9808.5 -28904 -28904 1.4343 0.30086 -0.56897 1.1265e+05 2024-05-17 06:16:24,902 INFO [main.py:798]
{rank 0/64} MD step = 56200 step time: 00:00:00.362098 Performance: 23.853 ns/day 1.006 hours/ns 1.380 steps/s 2024-05-17 06:18:11,034 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 89.833 -19098 9845.8 -28944 -28944 1.4371 0.30172 -0.57019 1.1281e+05 2024-05-17 06:19:12,650 INFO [main.py:798]
{rank 0/64} MD step = 56300 step time: 00:00:00.355100 Performance: 23.797 ns/day 1.009 hours/ns 1.377 steps/s 2024-05-17 06:20:10,070 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 90.718 -18942 9942.8 -28885 -28885 1.439 0.30221 -0.57047 1.1301e+05 2024-05-17 06:20:44,386 INFO [main.py:798]
{rank 0/64} MD step = 56400 step time: 00:00:00.339553 Performance: 23.786 ns/day 1.009 hours/ns 1.376 steps/s 2024-05-17 06:21:19,687 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 90.091 -19013 9874 -28887 -28887 1.4418 0.30261 -0.5707 1.1322e+05 2024-05-17 06:21:54,192 INFO [main.py:798]
{rank 0/64} MD step = 56500 step time: 00:00:00.344074 Performance: 23.787 ns/day 1.009 hours/ns 1.377 steps/s 2024-05-17 06:22:40,325 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 90.159 -19112 9881.6 -28994 -28994 1.4449 0.30298 -0.57112 1.1338e+05 2024-05-17 06:23:14,919 INFO [main.py:798]
{rank 0/64} MD step = 56600 step time: 00:00:00.342733 Performance: 23.783 ns/day 1.009 hours/ns 1.376 steps/s 2024-05-17 06:23:47,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56600 11320 90.334 -19322 9900.7 -29223 -29223 1.4488 0.30444 -0.57207 1.1359e+05 2024-05-17 06:24:22,900 INFO [main.py:798]
{rank 0/64} MD step = 56700 step time: 00:00:00.352706 Performance: 23.785 ns/day 1.009 hours/ns 1.376 steps/s 2024-05-17 06:24:37,191 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 89.988 -19277 9862.8 -29139 -29139 1.4525 0.30549 -0.57344 1.138e+05 2024-05-17 06:25:12,263 INFO [main.py:798]
{rank 0/64} MD step = 56800 step time: 00:00:00.356175 Performance: 23.799 ns/day 1.008 hours/ns 1.377 steps/s 2024-05-17 06:25:39,701 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 89.881 -19179 9851.1 -29030 -29030 1.4551 0.30482 -0.57466 1.1403e+05 2024-05-17 06:26:14,240 INFO [main.py:798]
{rank 0/64} MD step = 56900 step time: 00:00:00.346280 Performance: 23.805 ns/day 1.008 hours/ns 1.378 steps/s 2024-05-17 06:26:55,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56900 11380 90.357 -19041 9903.2 -28944 -28944 1.4575 0.30745 -0.57581 1.1428e+05 2024-05-17 06:27:31,563 INFO [main.py:798]
{rank 0/64} MD step = 57000 step time: 00:00:00.402935 Performance: 23.802 ns/day 1.008 hours/ns 1.377 steps/s 2024-05-17 06:28:04,314 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 89.592 -19109 9819.4 -28928 -28928 1.4605 0.30682 -0.57758 1.1449e+05 2024-05-17 06:28:40,287 INFO [main.py:798]
{rank 0/64} MD step = 57100 step time: 00:00:00.354904 Performance: 23.805 ns/day 1.008 hours/ns 1.378 steps/s 2024-05-17 06:29:21,260 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 91.683 -18889 10049 -28937 -28937 1.4639 0.30788 -0.57828 1.1468e+05 2024-05-17 06:29:56,784 INFO [main.py:798]
{rank 0/64} MD step = 57200 step time: 00:00:00.347210 Performance: 23.802 ns/day 1.008 hours/ns 1.377 steps/s 2024-05-17 06:30:15,984 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 90.3 -19070 9897 -28967 -28967 1.4663 0.30867 -0.57747 1.1488e+05 2024-05-17 06:30:50,609 INFO [main.py:798]
{rank 0/64} MD step = 57300 step time: 00:00:00.354027 Performance: 23.813 ns/day 1.008 hours/ns 1.378 steps/s 2024-05-17 06:31:18,877 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 89.796 -19008 9841.8 -28849 -28849 1.4703 0.3092 -0.57832 1.151e+05 2024-05-17 06:31:54,968 INFO [main.py:798]
{rank 0/64} MD step = 57400 step time: 00:00:00.353781 Performance: 23.818 ns/day 1.008 hours/ns 1.378 steps/s 2024-05-17 06:32:17,664 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 89.732 -18997 9834.8 -28832 -28832 1.4729 0.31099 -0.57967 1.153e+05 2024-05-17 06:32:53,325 INFO [main.py:798]
{rank 0/64} MD step = 57500 step time: 00:00:00.353486 Performance: 23.826 ns/day 1.007 hours/ns 1.379 steps/s 2024-05-17 06:33:30,094 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 90.094 -18968 9874.4 -28842 -28842 1.4765 0.31175 -0.5811 1.1548e+05 2024-05-17 06:34:04,805 INFO [main.py:798]
{rank 0/64} MD step = 57600 step time: 00:00:00.338708 Performance: 23.826 ns/day 1.007 hours/ns 1.379 steps/s 2024-05-17 06:34:35,522 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 90.435 -18896 9911.8 -28807 -28807 1.4805 0.31317 -0.58359 1.157e+05 2024-05-17 06:35:11,361 INFO [main.py:798]
{rank 0/64} MD step = 57700 step time: 00:00:00.376646 Performance: 23.830 ns/day 1.007 hours/ns 1.379 steps/s 2024-05-17 06:35:19,745 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 91.027 -18926 9976.7 -28902 -28902 1.483 0.31373 -0.58426 1.1587e+05 2024-05-17 06:35:54,299 INFO [main.py:798]
{rank 0/64} MD step = 57800 step time: 00:00:00.357495 Performance: 23.847 ns/day 1.006 hours/ns 1.380 steps/s 2024-05-17 06:36:04,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57800 11560 88.801 -19043 9732.7 -28776 -28776 1.4839 0.31362 -0.58353 1.1608e+05 2024-05-17 06:36:39,372 INFO [main.py:798]
{rank 0/64} MD step = 57900 step time: 00:00:00.343935 Performance: 23.862 ns/day 1.006 hours/ns 1.381 steps/s 2024-05-17 06:37:13,576 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 88.579 -19104 9708.4 -28812 -28812 1.4855 0.31556 -0.58361 1.1625e+05 2024-05-17 06:38:01,710 INFO [main.py:798]
{rank 0/64} MD step = 58000 step time: 00:00:00.376143 Performance: 23.857 ns/day 1.006 hours/ns 1.381 steps/s 2024-05-17 06:38:41,213 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 89.293 -19008 9786.6 -28794 -28794 1.4873 0.31575 -0.58489 1.1649e+05 2024-05-17 06:39:15,746 INFO [main.py:798]
{rank 0/64} MD step = 58100 step time: 00:00:00.415099 Performance: 23.856 ns/day 1.006 hours/ns 1.381 steps/s 2024-05-17 06:39:53,503 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 90.364 -19036 9904 -28940 -28940 1.4902 0.31427 -0.58582 1.1668e+05 2024-05-17 06:40:28,247 INFO [main.py:798]
{rank 0/64} MD step = 58200 step time: 00:00:00.339082 Performance: 23.856 ns/day 1.006 hours/ns 1.381 steps/s 2024-05-17 06:40:38,944 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 89.687 -19073 9829.8 -28903 -28903 1.4929 0.31455 -0.5871 1.169e+05 2024-05-17 06:41:13,696 INFO [main.py:798]
{rank 0/64} MD step = 58300 step time: 00:00:00.352304 Performance: 23.871 ns/day 1.005 hours/ns 1.381 steps/s 2024-05-17 06:41:20,563 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 89.785 -18956 9840.6 -28797 -28797 1.4948 0.31387 -0.58779 1.171e+05 2024-05-17 06:42:00,762 INFO [main.py:798]
{rank 0/64} MD step = 58400 step time: 00:00:00.352262 Performance: 23.885 ns/day 1.005 hours/ns 1.382 steps/s 2024-05-17 06:42:10,919 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 90.517 -18834 9920.8 -28755 -28755 1.497 0.3131 -0.58929 1.1734e+05 2024-05-17 06:42:47,032 INFO [main.py:798]
{rank 0/64} MD step = 58500 step time: 00:00:00.364383 Performance: 23.900 ns/day 1.004 hours/ns 1.383 steps/s 2024-05-17 06:43:13,718 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 90.288 -19203 9895.7 -29099 -29099 1.5009 0.31409 -0.59062 1.175e+05 2024-05-17 06:43:49,099 INFO [main.py:798]
{rank 0/64} MD step = 58600 step time: 00:00:00.352053 Performance: 23.906 ns/day 1.004 hours/ns 1.383 steps/s 2024-05-17 06:44:02,440 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 89.541 -19060 9813.8 -28873 -28873 1.5057 0.31489 -0.59304 1.1773e+05 2024-05-17 06:44:37,239 INFO [main.py:798]
{rank 0/64} MD step = 58700 step time: 00:00:00.355946 Performance: 23.919 ns/day 1.003 hours/ns 1.384 steps/s 2024-05-17 06:44:52,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58700 11740 90.071 -19047 9871.9 -28919 -28919 1.5084 0.31518 -0.59392 1.1792e+05 2024-05-17 06:45:28,104 INFO [main.py:798]
{rank 0/64} MD step = 58800 step time: 00:00:00.352950 Performance: 23.931 ns/day 1.003 hours/ns 1.385 steps/s 2024-05-17 06:45:34,854 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 89.786 -18955 9840.7 -28796 -28796 1.5108 0.31695 -0.59481 1.1813e+05 2024-05-17 06:46:09,572 INFO [main.py:798]
{rank 0/64} MD step = 58900 step time: 00:00:00.329781 Performance: 23.949 ns/day 1.002 hours/ns 1.386 steps/s 2024-05-17 06:47:00,870 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 90.73 -18919 9944.2 -28864 -28864 1.5146 0.31801 -0.5963 1.1835e+05 2024-05-17 06:47:45,652 INFO [main.py:798]
{rank 0/64} MD step = 59000 step time: 00:00:00.360787 Performance: 23.935 ns/day 1.003 hours/ns 1.385 steps/s 2024-05-17 06:48:34,439 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 89.293 -18985 9786.6 -28772 -28772 1.5166 0.3195 -0.59582 1.1857e+05 2024-05-17 06:49:10,528 INFO [main.py:798]
{rank 0/64} MD step = 59100 step time: 00:00:00.356571 Performance: 23.928 ns/day 1.003 hours/ns 1.385 steps/s 2024-05-17 06:49:29,132 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 89.639 -18985 9824.5 -28809 -28809 1.5196 0.32055 -0.59741 1.1875e+05 2024-05-17 06:50:08,854 INFO [main.py:798]
{rank 0/64} MD step = 59200 step time: 00:00:00.384850 Performance: 23.936 ns/day 1.003 hours/ns 1.385 steps/s 2024-05-17 06:51:25,099 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 90.901 -18925 9962.9 -28888 -28888 1.5224 0.32141 -0.59645 1.1896e+05 2024-05-17 06:52:02,345 INFO [main.py:798]
{rank 0/64} MD step = 59300 step time: 00:00:00.348637 Performance: 23.913 ns/day 1.004 hours/ns 1.384 steps/s 2024-05-17 06:52:31,210 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 89.791 -19143 9841.2 -28984 -28984 1.5263 0.32133 -0.59636 1.1918e+05 2024-05-17 06:53:08,219 INFO [main.py:798]
{rank 0/64} MD step = 59400 step time: 00:00:00.351940 Performance: 23.916 ns/day 1.003 hours/ns 1.384 steps/s 2024-05-17 06:53:25,477 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 90.063 -19112 9871 -28983 -28983 1.5304 0.32196 -0.59672 1.194e+05 2024-05-17 06:54:00,920 INFO [main.py:798]
{rank 0/64} MD step = 59500 step time: 00:00:00.352157 Performance: 23.927 ns/day 1.003 hours/ns 1.385 steps/s 2024-05-17 06:54:17,909 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 91.002 -18879 9973.9 -28853 -28853 1.5338 0.3238 -0.59695 1.1964e+05 2024-05-17 06:54:53,509 INFO [main.py:798]
{rank 0/64} MD step = 59600 step time: 00:00:00.358404 Performance: 23.938 ns/day 1.003 hours/ns 1.385 steps/s 2024-05-17 06:55:11,122 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 90.265 -19013 9893.2 -28907 -28907 1.5363 0.32556 -0.59775 1.1984e+05 2024-05-17 06:55:45,814 INFO [main.py:798]
{rank 0/64} MD step = 59700 step time: 00:00:00.364390 Performance: 23.949 ns/day 1.002 hours/ns 1.386 steps/s 2024-05-17 06:55:51,075 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 90.611 -19072 9931.1 -29003 -29003 1.539 0.32545 -0.59824 1.2002e+05 2024-05-17 06:56:26,891 INFO [main.py:798]
{rank 0/64} MD step = 59800 step time: 00:00:00.358450 Performance: 23.967 ns/day 1.001 hours/ns 1.387 steps/s 2024-05-17 06:56:57,120 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 89.073 -19293 9762.5 -29056 -29056 1.5415 0.32461 -0.59948 1.2021e+05 2024-05-17 06:57:31,676 INFO [main.py:798]
{rank 0/64} MD step = 59900 step time: 00:00:00.356153 Performance: 23.971 ns/day 1.001 hours/ns 1.387 steps/s 2024-05-17 06:57:59,627 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 90.276 -19042 9894.4 -28937 -28937 1.5437 0.32649 -0.59923 1.204e+05 2024-05-17 06:58:34,117 INFO [main.py:798]
{rank 0/64} MD step = 60000 step time: 00:00:00.343203 Performance: 23.976 ns/day 1.001 hours/ns 1.387 steps/s 2024-05-17 06:59:11,068 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 91.185 -18923 9993.9 -28916 -28916 1.5471 0.32741 -0.6007 1.2061e+05 2024-05-17 06:59:45,742 INFO [main.py:798]
{rank 0/64} MD step = 60100 step time: 00:00:00.346977 Performance: 23.976 ns/day 1.001 hours/ns 1.388 steps/s 2024-05-17 07:00:16,785 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 89.805 -19152 9842.8 -28994 -28994 1.5492 0.32639 -0.60258 1.2079e+05 2024-05-17 07:00:51,369 INFO [main.py:798]
{rank 0/64} MD step = 60200 step time: 00:00:00.351157 Performance: 23.980 ns/day 1.001 hours/ns 1.388 steps/s 2024-05-17 07:01:55,283 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 89.231 -19052 9779.9 -28832 -28832 1.5531 0.32768 -0.60232 1.2097e+05 2024-05-17 07:02:31,194 INFO [main.py:798]
{rank 0/64} MD step = 60300 step time: 00:00:00.377430 Performance: 23.964 ns/day 1.001 hours/ns 1.387 steps/s 2024-05-17 07:02:53,222 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 89.971 -18848 9860.9 -28709 -28709 1.5578 0.32651 -0.60367 1.2121e+05 2024-05-17 07:03:33,515 INFO [main.py:798]
{rank 0/64} MD step = 60400 step time: 00:00:00.340749 Performance: 23.970 ns/day 1.001 hours/ns 1.387 steps/s 2024-05-17 07:04:37,150 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 89.959 -18974 9859.6 -28834 -28834 1.5607 0.32764 -0.60476 1.214e+05 2024-05-17 07:05:12,728 INFO [main.py:798]
{rank 0/64} MD step = 60500 step time: 00:00:00.354606 Performance: 23.955 ns/day 1.002 hours/ns 1.386 steps/s 2024-05-17 07:05:24,403 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 89.92 -19069 9855.3 -28925 -28925 1.5622 0.3284 -0.60424 1.2157e+05 2024-05-17 07:06:05,633 INFO [main.py:798]
{rank 0/64} MD step = 60600 step time: 00:00:00.336288 Performance: 23.965 ns/day 1.001 hours/ns 1.387 steps/s 2024-05-17 07:06:14,463 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 89.2 -19093 9776.4 -28869 -28869 1.5654 0.32855 -0.60626 1.2176e+05 2024-05-17 07:06:49,213 INFO [main.py:798]
{rank 0/64} MD step = 60700 step time: 00:00:00.355569 Performance: 23.981 ns/day 1.001 hours/ns 1.388 steps/s 2024-05-17 07:07:12,536 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 89.816 -19052 9843.9 -28896 -28896 1.5674 0.3292 -0.6076 1.2195e+05 2024-05-17 07:07:47,257 INFO [main.py:798]
{rank 0/64} MD step = 60800 step time: 00:00:00.328373 Performance: 23.989 ns/day 1.000 hours/ns 1.388 steps/s 2024-05-17 07:08:09,307 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 90.497 -18906 9918.6 -28825 -28825 1.5695 0.33109 -0.60762 1.2215e+05 2024-05-17 07:08:43,659 INFO [main.py:798]
{rank 0/64} MD step = 60900 step time: 00:00:00.349613 Performance: 23.997 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:09:19,200 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 89.898 -19026 9852.9 -28879 -28879 1.5734 0.33209 -0.60775 1.2235e+05 2024-05-17 07:09:55,744 INFO [main.py:798]
{rank 0/64} MD step = 61000 step time: 00:00:00.350269 Performance: 23.997 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:10:29,664 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 90.914 -18975 9964.3 -28940 -28940 1.5772 0.33457 -0.60836 1.2256e+05 2024-05-17 07:11:04,408 INFO [main.py:798]
{rank 0/64} MD step = 61100 step time: 00:00:00.342086 Performance: 23.999 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:11:30,966 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 88.416 -19197 9690.5 -28887 -28887 1.5794 0.33385 -0.60902 1.228e+05 2024-05-17 07:12:06,569 INFO [main.py:798]
{rank 0/64} MD step = 61200 step time: 00:00:00.333172 Performance: 24.004 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:12:37,725 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 90.19 -19139 9884.9 -29024 -29024 1.5811 0.33467 -0.61046 1.2295e+05 2024-05-17 07:13:12,938 INFO [main.py:798]
{rank 0/64} MD step = 61300 step time: 00:00:00.350957 Performance: 24.008 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:13:40,958 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 89.782 -19194 9840.2 -29034 -29034 1.584 0.33632 -0.61279 1.2317e+05 2024-05-17 07:14:42,322 INFO [main.py:798]
{rank 0/64} MD step = 61400 step time: 00:00:00.350049 Performance: 23.998 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:16:14,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61400 12280 89.863 -18832 9849.1 -28681 -28681 1.5848 0.33893 -0.61333 1.2345e+05 2024-05-17 07:16:49,505 INFO [main.py:798]
{rank 0/64} MD step = 61500 step time: 00:00:00.352508 Performance: 23.968 ns/day 1.001 hours/ns 1.387 steps/s 2024-05-17 07:17:03,862 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 88.778 -19225 9730.2 -28955 -28955 1.5868 0.33907 -0.61485 1.236e+05 2024-05-17 07:17:39,403 INFO [main.py:798]
{rank 0/64} MD step = 61600 step time: 00:00:00.360756 Performance: 23.980 ns/day 1.001 hours/ns 1.388 steps/s 2024-05-17 07:17:48,355 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 90.006 -18873 9864.8 -28738 -28738 1.5896 0.34069 -0.61483 1.2387e+05 2024-05-17 07:18:23,804 INFO [main.py:798]
{rank 0/64} MD step = 61700 step time: 00:00:00.346149 Performance: 23.995 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:19:01,567 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 90.594 -18795 9929.3 -28725 -28725 1.5913 0.34233 -0.61621 1.2402e+05 2024-05-17 07:19:36,424 INFO [main.py:798]
{rank 0/64} MD step = 61800 step time: 00:00:00.331925 Performance: 23.995 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:20:13,243 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 89.777 -18868 9839.7 -28708 -28708 1.5941 0.34352 -0.61811 1.2427e+05 2024-05-17 07:20:51,326 INFO [main.py:798]
{rank 0/64} MD step = 61900 step time: 00:00:00.361639 Performance: 23.993 ns/day 1.000 hours/ns 1.388 steps/s 2024-05-17 07:21:21,384 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 91.147 -18828 9989.8 -28818 -28818 1.5976 0.34414 -0.61898 1.2446e+05 2024-05-17 07:21:55,480 INFO [main.py:798]
{rank 0/64} MD step = 62000 step time: 00:00:00.348857 Performance: 23.997 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:22:12,992 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 89.773 -18958 9839.3 -28797 -28797 1.5995 0.34426 -0.62063 1.2465e+05 2024-05-17 07:22:52,518 INFO [main.py:798]
{rank 0/64} MD step = 62100 step time: 00:00:00.383468 Performance: 24.005 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:23:29,865 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 90.054 -18980 9870 -28850 -28850 1.6024 0.34684 -0.62042 1.2485e+05 2024-05-17 07:24:19,256 INFO [main.py:798]
{rank 0/64} MD step = 62200 step time: 00:00:00.357842 Performance: 23.998 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:24:36,764 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 89.524 -19089 9812 -28901 -28901 1.6057 0.34709 -0.62289 1.25e+05 2024-05-17 07:25:12,186 INFO [main.py:798]
{rank 0/64} MD step = 62300 step time: 00:00:00.362702 Performance: 24.008 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:25:30,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62300 12460 91.39 -18817 10016 -28833 -28833 1.6079 0.34756 -0.62367 1.2523e+05 2024-05-17 07:26:04,852 INFO [main.py:798]
{rank 0/64} MD step = 62400 step time: 00:00:00.340037 Performance: 24.018 ns/day 0.999 hours/ns 1.390 steps/s 2024-05-17 07:26:13,537 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 90.345 -18853 9901.9 -28755 -28755 1.6114 0.34717 -0.62402 1.2541e+05 2024-05-17 07:26:47,563 INFO [main.py:798]
{rank 0/64} MD step = 62500 step time: 00:00:00.343118 Performance: 24.034 ns/day 0.999 hours/ns 1.391 steps/s 2024-05-17 07:27:00,321 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 89.323 -19038 9789.9 -28828 -28828 1.613 0.34819 -0.62388 1.2561e+05 2024-05-17 07:27:34,407 INFO [main.py:798]
{rank 0/64} MD step = 62600 step time: 00:00:00.343611 Performance: 24.047 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 07:27:59,183 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 89.885 -19008 9851.5 -28860 -28860 1.6126 0.34851 -0.62706 1.2577e+05 2024-05-17 07:28:33,325 INFO [main.py:798]
{rank 0/64} MD step = 62700 step time: 00:00:00.348020 Performance: 24.054 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 07:29:04,347 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 90.698 -18855 9940.6 -28795 -28795 1.6151 0.34899 -0.62802 1.2599e+05 2024-05-17 07:29:38,943 INFO [main.py:798]
{rank 0/64} MD step = 62800 step time: 00:00:00.355158 Performance: 24.057 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 07:29:53,258 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 90.64 -18877 9934.2 -28811 -28811 1.6176 0.35019 -0.62811 1.2622e+05 2024-05-17 07:30:29,196 INFO [main.py:798]
{rank 0/64} MD step = 62900 step time: 00:00:00.335064 Performance: 24.069 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 07:30:39,401 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 91.271 -18978 10003 -28981 -28981 1.621 0.35022 -0.62759 1.2636e+05 2024-05-17 07:31:13,879 INFO [main.py:798]
{rank 0/64} MD step = 63000 step time: 00:00:00.337610 Performance: 24.083 ns/day 0.997 hours/ns 1.394 steps/s 2024-05-17 07:31:52,133 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 89.641 -18952 9824.7 -28776 -28776 1.6236 0.35166 -0.62823 1.2656e+05 2024-05-17 07:32:29,698 INFO [main.py:798]
{rank 0/64} MD step = 63100 step time: 00:00:00.333285 Performance: 24.081 ns/day 0.997 hours/ns 1.394 steps/s 2024-05-17 07:33:34,275 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 89.953 -19035 9859 -28894 -28894 1.6279 0.35231 -0.62939 1.2674e+05 2024-05-17 07:34:08,915 INFO [main.py:798]
{rank 0/64} MD step = 63200 step time: 00:00:00.352635 Performance: 24.067 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 07:38:04,926 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 90.133 -19007 9878.7 -28886 -28886 1.6307 0.35419 -0.6327 1.2692e+05 2024-05-17 07:38:40,535 INFO [main.py:798]
{rank 0/64} MD step = 63300 step time: 00:00:00.350151 Performance: 23.961 ns/day 1.002 hours/ns 1.387 steps/s 2024-05-17 07:39:10,297 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 88.734 -19064 9725.3 -28789 -28789 1.6325 0.35724 -0.63411 1.271e+05 2024-05-17 07:39:45,238 INFO [main.py:798]
{rank 0/64} MD step = 63400 step time: 00:00:00.364614 Performance: 23.965 ns/day 1.001 hours/ns 1.387 steps/s 2024-05-17 07:39:56,590 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 91.909 -18936 10073 -29009 -29009 1.6341 0.36002 -0.63621 1.2728e+05 2024-05-17 07:40:32,437 INFO [main.py:798]
{rank 0/64} MD step = 63500 step time: 00:00:00.344640 Performance: 23.978 ns/day 1.001 hours/ns 1.388 steps/s 2024-05-17 07:40:50,094 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 89.634 -19014 9824 -28838 -28838 1.6349 0.36113 -0.63884 1.2748e+05 2024-05-17 07:41:25,116 INFO [main.py:798]
{rank 0/64} MD step = 63600 step time: 00:00:00.353337 Performance: 23.988 ns/day 1.000 hours/ns 1.388 steps/s 2024-05-17 07:41:34,872 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 90.494 -18906 9918.2 -28824 -28824 1.6373 0.36214 -0.6395 1.2766e+05 2024-05-17 07:42:09,683 INFO [main.py:798]
{rank 0/64} MD step = 63700 step time: 00:00:00.362625 Performance: 24.003 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:42:32,101 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 90.483 -18995 9917 -28912 -28912 1.6399 0.36471 -0.64001 1.2784e+05 2024-05-17 07:43:09,552 INFO [main.py:798]
{rank 0/64} MD step = 63800 step time: 00:00:00.344397 Performance: 24.009 ns/day 1.000 hours/ns 1.389 steps/s 2024-05-17 07:43:24,012 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 89.034 -18914 9758.2 -28672 -28672 1.6419 0.3658 -0.64046 1.2808e+05 2024-05-17 07:43:59,068 INFO [main.py:798]
{rank 0/64} MD step = 63900 step time: 00:00:00.375622 Performance: 24.021 ns/day 0.999 hours/ns 1.390 steps/s 2024-05-17 07:44:07,797 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 90.124 -19016 9877.7 -28893 -28893 1.6428 0.36737 -0.64238 1.2826e+05 2024-05-17 07:44:42,539 INFO [main.py:798]
{rank 0/64} MD step = 64000 step time: 00:00:00.354526 Performance: 24.036 ns/day 0.999 hours/ns 1.391 steps/s 2024-05-17 07:44:55,830 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 89.476 -19058 9806.7 -28865 -28865 1.6445 0.36749 -0.64308 1.285e+05 2024-05-17 07:45:31,435 INFO [main.py:798]
{rank 0/64} MD step = 64100 step time: 00:00:00.352298 Performance: 24.048 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 07:46:08,310 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 90.5 -19134 9918.9 -29053 -29053 1.6467 0.36783 -0.64173 1.2867e+05 2024-05-17 07:46:42,461 INFO [main.py:798]
{rank 0/64} MD step = 64200 step time: 00:00:00.360694 Performance: 24.048 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 07:47:07,834 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 89.478 -19168 9806.9 -28974 -28974 1.6484 0.36937 -0.64344 1.2886e+05 2024-05-17 07:47:43,076 INFO [main.py:798]
{rank 0/64} MD step = 64300 step time: 00:00:00.350260 Performance: 24.054 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 07:47:56,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64300 12860 89.08 -19225 9763.3 -28989 -28989 1.6508 0.37099 -0.6445 1.2907e+05 2024-05-17 07:48:32,534 INFO [main.py:798]
{rank 0/64} MD step = 64400 step time: 00:00:00.328578 Performance: 24.065 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 07:49:22,535 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 88.293 -19221 9677 -28898 -28898 1.6526 0.37132 -0.64781 1.2927e+05 2024-05-17 07:49:57,768 INFO [main.py:798]
{rank 0/64} MD step = 64500 step time: 00:00:00.340255 Performance: 24.059 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 07:50:08,078 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 89.507 -19106 9810 -28916 -28916 1.6538 0.37095 -0.64937 1.295e+05 2024-05-17 07:50:42,672 INFO [main.py:798]
{rank 0/64} MD step = 64600 step time: 00:00:00.360464 Performance: 24.072 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 07:50:50,263 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 90.637 -18988 9933.9 -28922 -28922 1.6577 0.37247 -0.65007 1.2973e+05 2024-05-17 07:51:24,597 INFO [main.py:798]
{rank 0/64} MD step = 64700 step time: 00:00:00.353688 Performance: 24.088 ns/day 0.996 hours/ns 1.394 steps/s 2024-05-17 07:52:42,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64700 12940 90.394 -18996 9907.3 -28904 -28904 1.6598 0.37469 -0.65039 1.2993e+05 2024-05-17 07:53:21,215 INFO [main.py:798]
{rank 0/64} MD step = 64800 step time: 00:00:00.330282 Performance: 24.065 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 07:54:01,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64800 12960 88.656 -19143 9716.8 -28859 -28859 1.6625 0.37575 -0.65071 1.3011e+05 2024-05-17 07:54:50,982 INFO [main.py:798]
{rank 0/64} MD step = 64900 step time: 00:00:00.353526 Performance: 24.055 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 07:55:09,267 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 89.935 -18917 9857 -28774 -28774 1.6642 0.37663 -0.65042 1.3029e+05 2024-05-17 07:55:45,144 INFO [main.py:798]
{rank 0/64} MD step = 65000 step time: 00:00:00.346789 Performance: 24.065 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 07:56:05,593 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 89.126 -19017 9768.3 -28785 -28785 1.6645 0.37802 -0.65127 1.3052e+05 2024-05-17 07:56:40,128 INFO [main.py:798]
{rank 0/64} MD step = 65100 step time: 00:00:00.332403 Performance: 24.073 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 07:57:18,780 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 89.309 -19283 9788.3 -29071 -29071 1.667 0.37777 -0.65145 1.3069e+05 2024-05-17 07:57:55,446 INFO [main.py:798]
{rank 0/64} MD step = 65200 step time: 00:00:00.381799 Performance: 24.071 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 07:59:56,068 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 91.147 -18945 9989.8 -28934 -28934 1.6693 0.37594 -0.65322 1.3091e+05 2024-05-17 08:00:36,927 INFO [main.py:798]
{rank 0/64} MD step = 65300 step time: 00:00:00.372819 Performance: 24.025 ns/day 0.999 hours/ns 1.390 steps/s 2024-05-17 08:01:06,159 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 89.86 -18965 9848.7 -28814 -28814 1.6742 0.37713 -0.65533 1.311e+05 2024-05-17 08:01:42,133 INFO [main.py:798]
{rank 0/64} MD step = 65400 step time: 00:00:00.350999 Performance: 24.029 ns/day 0.999 hours/ns 1.391 steps/s 2024-05-17 08:01:51,358 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 90.103 -19323 9875.4 -29199 -29199 1.6763 0.37652 -0.65773 1.3126e+05 2024-05-17 08:02:26,365 INFO [main.py:798]
{rank 0/64} MD step = 65500 step time: 00:00:00.357817 Performance: 24.043 ns/day 0.998 hours/ns 1.391 steps/s 2024-05-17 08:02:52,375 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 90.946 -19076 9967.8 -29043 -29043 1.679 0.37831 -0.65825 1.3145e+05 2024-05-17 08:03:28,366 INFO [main.py:798]
{rank 0/64} MD step = 65600 step time: 00:00:00.355697 Performance: 24.048 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:03:51,754 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 90.206 -19038 9886.7 -28925 -28925 1.6829 0.38071 -0.65886 1.3162e+05 2024-05-17 08:04:27,925 INFO [main.py:798]
{rank 0/64} MD step = 65700 step time: 00:00:00.346053 Performance: 24.054 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:05:44,605 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 89.651 -18981 9825.9 -28807 -28807 1.685 0.38128 -0.65781 1.3181e+05 2024-05-17 08:06:19,468 INFO [main.py:798]
{rank 0/64} MD step = 65800 step time: 00:00:00.351386 Performance: 24.034 ns/day 0.999 hours/ns 1.391 steps/s 2024-05-17 08:06:44,651 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 88.755 -19298 9727.7 -29025 -29025 1.6864 0.38327 -0.65943 1.3203e+05 2024-05-17 08:07:24,116 INFO [main.py:798]
{rank 0/64} MD step = 65900 step time: 00:00:00.326542 Performance: 24.038 ns/day 0.998 hours/ns 1.391 steps/s 2024-05-17 08:07:53,820 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 91.625 -19111 10042 -29153 -29153 1.6897 0.38329 -0.66198 1.3221e+05 2024-05-17 08:08:28,720 INFO [main.py:798]
{rank 0/64} MD step = 66000 step time: 00:00:00.351517 Performance: 24.041 ns/day 0.998 hours/ns 1.391 steps/s 2024-05-17 08:08:54,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66000 13200 89.575 -19157 9817.5 -28975 -28975 1.6909 0.38505 -0.6607 1.3241e+05 2024-05-17 08:09:30,375 INFO [main.py:798]
{rank 0/64} MD step = 66100 step time: 00:00:00.349887 Performance: 24.047 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:09:47,013 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 89.629 -19368 9823.4 -29191 -29191 1.6908 0.38451 -0.66128 1.3256e+05 2024-05-17 08:10:22,744 INFO [main.py:798]
{rank 0/64} MD step = 66200 step time: 00:00:00.359061 Performance: 24.057 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:10:43,980 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 89.156 -19201 9771.6 -28972 -28972 1.6906 0.38564 -0.66164 1.3279e+05 2024-05-17 08:11:30,849 INFO [main.py:798]
{rank 0/64} MD step = 66300 step time: 00:00:00.329988 Performance: 24.058 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:11:56,812 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 91.785 -18951 10060 -29010 -29010 1.6926 0.38631 -0.66379 1.3301e+05 2024-05-17 08:12:31,773 INFO [main.py:798]
{rank 0/64} MD step = 66400 step time: 00:00:00.344792 Performance: 24.064 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 08:13:20,403 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 88.622 -19378 9713.1 -29091 -29091 1.6945 0.38784 -0.66328 1.3316e+05 2024-05-17 08:13:57,838 INFO [main.py:798]
{rank 0/64} MD step = 66500 step time: 00:00:00.346227 Performance: 24.057 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:14:25,892 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 90.569 -19244 9926.4 -29171 -29171 1.6973 0.38882 -0.66506 1.3339e+05 2024-05-17 08:15:07,466 INFO [main.py:798]
{rank 0/64} MD step = 66600 step time: 00:00:00.354085 Performance: 24.058 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:15:50,034 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 90.731 -19101 9944.2 -29046 -29046 1.7 0.39124 -0.66537 1.3359e+05 2024-05-17 08:16:25,086 INFO [main.py:798]
{rank 0/64} MD step = 66700 step time: 00:00:00.348903 Performance: 24.055 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:17:03,620 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 89.395 -19375 9797.8 -29172 -29172 1.7015 0.39269 -0.66691 1.3376e+05 2024-05-17 08:17:39,885 INFO [main.py:798]
{rank 0/64} MD step = 66800 step time: 00:00:00.340264 Performance: 24.053 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:18:21,261 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 90.511 -19210 9920.2 -29130 -29130 1.7033 0.39477 -0.66594 1.3397e+05 2024-05-17 08:18:56,065 INFO [main.py:798]
{rank 0/64} MD step = 66900 step time: 00:00:00.348068 Performance: 24.051 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:19:28,048 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 91.27 -18967 10003 -28970 -28970 1.7055 0.39497 -0.66717 1.3417e+05 2024-05-17 08:20:02,845 INFO [main.py:798]
{rank 0/64} MD step = 67000 step time: 00:00:00.355733 Performance: 24.054 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:21:05,627 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 88.915 -19365 9745.2 -29110 -29110 1.7077 0.39629 -0.66897 1.3434e+05 2024-05-17 08:21:42,205 INFO [main.py:798]
{rank 0/64} MD step = 67100 step time: 00:00:00.388666 Performance: 24.040 ns/day 0.998 hours/ns 1.391 steps/s 2024-05-17 08:21:56,666 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 88.64 -19413 9715 -29129 -29129 1.7083 0.39934 -0.6705 1.3453e+05 2024-05-17 08:22:31,271 INFO [main.py:798]
{rank 0/64} MD step = 67200 step time: 00:00:00.353211 Performance: 24.051 ns/day 0.998 hours/ns 1.392 steps/s 2024-05-17 08:22:44,385 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 90.452 -18997 9913.6 -28911 -28911 1.71 0.3993 -0.67238 1.3476e+05 2024-05-17 08:23:19,058 INFO [main.py:798]
{rank 0/64} MD step = 67300 step time: 00:00:00.350592 Performance: 24.063 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 08:23:38,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67300 13460 88.994 -19257 9753.9 -29011 -29011 1.7095 0.3993 -0.67533 1.3495e+05 2024-05-17 08:24:13,451 INFO [main.py:798]
{rank 0/64} MD step = 67400 step time: 00:00:00.356044 Performance: 24.072 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 08:24:37,076 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 89.438 -19083 9802.5 -28886 -28886 1.7113 0.39634 -0.67419 1.3515e+05 2024-05-17 08:25:12,090 INFO [main.py:798]
{rank 0/64} MD step = 67500 step time: 00:00:00.347168 Performance: 24.079 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 08:25:54,402 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 90.428 -18864 9911 -28775 -28775 1.7128 0.39735 -0.67612 1.3535e+05 2024-05-17 08:26:28,837 INFO [main.py:798]
{rank 0/64} MD step = 67600 step time: 00:00:00.341790 Performance: 24.076 ns/day 0.997 hours/ns 1.393 steps/s 2024-05-17 08:26:39,069 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 90.756 -18966 9946.9 -28913 -28913 1.7149 0.39854 -0.67818 1.3556e+05 2024-05-17 08:27:14,279 INFO [main.py:798]
{rank 0/64} MD step = 67700 step time: 00:00:00.377386 Performance: 24.089 ns/day 0.996 hours/ns 1.394 steps/s 2024-05-17 08:27:46,331 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 89.063 -19185 9761.4 -28947 -28947 1.7161 0.40193 -0.67916 1.3575e+05 2024-05-17 08:28:23,298 INFO [main.py:798]
{rank 0/64} MD step = 67800 step time: 00:00:00.372051 Performance: 24.091 ns/day 0.996 hours/ns 1.394 steps/s 2024-05-17 08:28:42,338 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 91.039 -18803 9978 -28781 -28781 1.7166 0.40338 -0.68244 1.3593e+05 2024-05-17 08:29:19,136 INFO [main.py:798]
{rank 0/64} MD step = 67900 step time: 00:00:00.376648 Performance: 24.098 ns/day 0.996 hours/ns 1.395 steps/s 2024-05-17 08:29:34,397 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 90.474 -19225 9916.1 -29141 -29141 1.7182 0.40471 -0.6832 1.3613e+05 2024-05-17 08:30:08,784 INFO [main.py:798]
{rank 0/64} MD step = 68000 step time: 00:00:00.348733 Performance: 24.109 ns/day 0.995 hours/ns 1.395 steps/s 2024-05-17 08:30:26,294 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 89.469 -19151 9806 -28957 -28957 1.7187 0.40671 -0.68459 1.3636e+05 2024-05-17 08:31:01,170 INFO [main.py:798]
{rank 0/64} MD step = 68100 step time: 00:00:00.349178 Performance: 24.119 ns/day 0.995 hours/ns 1.396 steps/s 2024-05-17 08:31:45,281 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 90.353 -19076 9902.7 -28979 -28979 1.7211 0.40779 -0.68499 1.3656e+05 2024-05-17 08:32:22,329 INFO [main.py:798]
{rank 0/64} MD step = 68200 step time: 00:00:00.357108 Performance: 24.114 ns/day 0.995 hours/ns 1.395 steps/s 2024-05-17 08:32:46,755 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 89.551 -18912 9814.9 -28727 -28727 1.7223 0.40822 -0.68625 1.3682e+05 2024-05-17 08:33:22,209 INFO [main.py:798]
{rank 0/64} MD step = 68300 step time: 00:00:00.343401 Performance: 24.120 ns/day 0.995 hours/ns 1.396 steps/s 2024-05-17 08:34:39,348 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 89.715 -19133 9832.9 -28966 -28966 1.7253 0.41082 -0.687 1.37e+05 2024-05-17 08:35:15,193 INFO [main.py:798]
{rank 0/64} MD step = 68400 step time: 00:00:00.379043 Performance: 24.100 ns/day 0.996 hours/ns 1.395 steps/s 2024-05-17 08:35:30,216 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 89.542 -19294 9813.9 -29107 -29107 1.7272 0.41107 -0.68851 1.3721e+05 2024-05-17 08:36:05,243 INFO [main.py:798]
{rank 0/64} MD step = 68500 step time: 00:00:00.361193 Performance: 24.110 ns/day 0.995 hours/ns 1.395 steps/s 2024-05-17 08:36:26,101 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 89.88 -19214 9851 -29065 -29065 1.7288 0.41185 -0.68921 1.374e+05 2024-05-17 08:37:01,648 INFO [main.py:798]
{rank 0/64} MD step = 68600 step time: 00:00:00.383945 Performance: 24.118 ns/day 0.995 hours/ns 1.396 steps/s 2024-05-17 08:37:20,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68600 13720 88.24 -19234 9671.2 -28905 -28905 1.731 0.41416 -0.6899 1.3761e+05 2024-05-17 08:37:55,247 INFO [main.py:798]
{rank 0/64} MD step = 68700 step time: 00:00:00.341301 Performance: 24.127 ns/day 0.995 hours/ns 1.396 steps/s 2024-05-17 08:38:09,085 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 91.086 -18801 9983.2 -28784 -28784 1.7325 0.4137 -0.69006 1.3783e+05 2024-05-17 08:38:46,034 INFO [main.py:798]
{rank 0/64} MD step = 68800 step time: 00:00:00.350626 Performance: 24.137 ns/day 0.994 hours/ns 1.397 steps/s 2024-05-17 08:39:07,967 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 89.685 -19153 9829.5 -28983 -28983 1.7322 0.41339 -0.69266 1.3795e+05 2024-05-17 08:39:42,614 INFO [main.py:798]
{rank 0/64} MD step = 68900 step time: 00:00:00.353495 Performance: 24.144 ns/day 0.994 hours/ns 1.397 steps/s 2024-05-17 08:40:12,615 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 90.213 -19105 9887.5 -28993 -28993 1.7347 0.4153 -0.69318 1.3818e+05 2024-05-17 08:40:47,920 INFO [main.py:798]
{rank 0/64} MD step = 69000 step time: 00:00:00.372991 Performance: 24.147 ns/day 0.994 hours/ns 1.397 steps/s 2024-05-17 08:41:02,422 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 90.696 -18832 9940.4 -28772 -28772 1.7348 0.41511 -0.69505 1.3843e+05 2024-05-17 08:41:43,575 INFO [main.py:798]
{rank 0/64} MD step = 69100 step time: 00:00:00.358980 Performance: 24.155 ns/day 0.994 hours/ns 1.398 steps/s 2024-05-17 08:42:23,292 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 89.603 -19147 9820.6 -28967 -28967 1.7368 0.41621 -0.69661 1.3866e+05 2024-05-17 08:42:57,997 INFO [main.py:798]
{rank 0/64} MD step = 69200 step time: 00:00:00.386114 Performance: 24.154 ns/day 0.994 hours/ns 1.398 steps/s 2024-05-17 08:43:48,601 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 89.522 -19113 9811.7 -28925 -28925 1.7376 0.41762 -0.69859 1.3887e+05 2024-05-17 08:44:23,452 INFO [main.py:798]
{rank 0/64} MD step = 69300 step time: 00:00:00.352544 Performance: 24.147 ns/day 0.994 hours/ns 1.397 steps/s 2024-05-17 08:45:18,058 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 89.712 -19266 9832.6 -29099 -29099 1.7391 0.41728 -0.6984 1.3901e+05 2024-05-17 08:45:56,140 INFO [main.py:798]
{rank 0/64} MD step = 69400 step time: 00:00:00.353370 Performance: 24.136 ns/day 0.994 hours/ns 1.397 steps/s 2024-05-17 08:46:09,540 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 90.76 -18956 9947.5 -28904 -28904 1.739 0.41793 -0.69913 1.3925e+05 2024-05-17 08:46:44,250 INFO [main.py:798]
{rank 0/64} MD step = 69500 step time: 00:00:00.354267 Performance: 24.148 ns/day 0.994 hours/ns 1.397 steps/s 2024-05-17 08:47:05,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69500 13900 91.286 -18992 10005 -28997 -28997 1.7399 0.41738 -0.70015 1.3941e+05 2024-05-17 08:47:39,774 INFO [main.py:798]
{rank 0/64} MD step = 69600 step time: 00:00:00.329346 Performance: 24.156 ns/day 0.994 hours/ns 1.398 steps/s 2024-05-17 08:47:47,174 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 89.919 -19093 9855.2 -28949 -28949 1.7388 0.41823 -0.70295 1.3963e+05 2024-05-17 08:48:21,382 INFO [main.py:798]
{rank 0/64} MD step = 69700 step time: 00:00:00.327965 Performance: 24.170 ns/day 0.993 hours/ns 1.399 steps/s 2024-05-17 08:48:55,867 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 90.124 -18942 9877.7 -28820 -28820 1.7404 0.41806 -0.70409 1.399e+05 2024-05-17 08:49:30,843 INFO [main.py:798]
{rank 0/64} MD step = 69800 step time: 00:00:00.349764 Performance: 24.171 ns/day 0.993 hours/ns 1.399 steps/s 2024-05-17 08:49:38,553 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 89.708 -19017 9832.1 -28849 -28849 1.7421 0.42026 -0.70533 1.4008e+05 2024-05-17 08:50:13,248 INFO [main.py:798]
{rank 0/64} MD step = 69900 step time: 00:00:00.373071 Performance: 24.185 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 08:50:20,594 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 90.18 -19143 9883.8 -29027 -29027 1.7433 0.42084 -0.70561 1.4024e+05 2024-05-17 08:50:55,542 INFO [main.py:798]
{rank 0/64} MD step = 70000 step time: 00:00:00.346424 Performance: 24.199 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 08:51:37,055 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 89.564 -19328 9816.3 -29144 -29144 1.7458 0.42195 -0.70747 1.4041e+05 2024-05-17 08:52:13,517 INFO [main.py:798]
{rank 0/64} MD step = 70100 step time: 00:00:00.378489 Performance: 24.196 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 08:53:23,839 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 88.607 -19409 9711.5 -29121 -29121 1.7468 0.42227 -0.70871 1.4059e+05 2024-05-17 08:54:03,413 INFO [main.py:798]
{rank 0/64} MD step = 70200 step time: 00:00:00.347062 Performance: 24.178 ns/day 0.993 hours/ns 1.399 steps/s 2024-05-17 08:54:24,548 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 89.799 -19460 9842.1 -29302 -29302 1.7483 0.42292 -0.71001 1.4078e+05 2024-05-17 08:54:59,761 INFO [main.py:798]
{rank 0/64} MD step = 70300 step time: 00:00:00.355873 Performance: 24.185 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 08:55:29,539 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 90.656 -19398 9936 -29334 -29334 1.7489 0.4241 -0.71122 1.4095e+05 2024-05-17 08:56:05,560 INFO [main.py:798]
{rank 0/64} MD step = 70400 step time: 00:00:00.350197 Performance: 24.188 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 08:56:27,695 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 90.646 -19426 9934.9 -29361 -29361 1.7499 0.42547 -0.71198 1.4117e+05 2024-05-17 08:57:02,568 INFO [main.py:798]
{rank 0/64} MD step = 70500 step time: 00:00:00.381475 Performance: 24.195 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 08:57:15,572 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 89.372 -19227 9795.3 -29022 -29022 1.7501 0.42671 -0.71347 1.4143e+05 2024-05-17 08:57:50,299 INFO [main.py:798]
{rank 0/64} MD step = 70600 step time: 00:00:00.332166 Performance: 24.206 ns/day 0.991 hours/ns 1.401 steps/s 2024-05-17 08:58:17,602 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 90.372 -19344 9904.9 -29249 -29249 1.7509 0.42703 -0.71337 1.4164e+05 2024-05-17 08:58:52,148 INFO [main.py:798]
{rank 0/64} MD step = 70700 step time: 00:00:00.347273 Performance: 24.210 ns/day 0.991 hours/ns 1.401 steps/s 2024-05-17 08:59:14,711 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 89.867 -19506 9849.6 -29356 -29356 1.7525 0.42886 -0.71313 1.4185e+05 2024-05-17 08:59:49,237 INFO [main.py:798]
{rank 0/64} MD step = 70800 step time: 00:00:00.348740 Performance: 24.217 ns/day 0.991 hours/ns 1.401 steps/s 2024-05-17 09:00:25,071 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 90.588 -19144 9928.5 -29073 -29073 1.7533 0.42812 -0.71409 1.4205e+05 2024-05-17 09:00:59,422 INFO [main.py:798]
{rank 0/64} MD step = 70900 step time: 00:00:00.344434 Performance: 24.218 ns/day 0.991 hours/ns 1.401 steps/s 2024-05-17 09:01:15,248 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 89.877 -19331 9850.7 -29182 -29182 1.754 0.42928 -0.71474 1.4227e+05 2024-05-17 09:01:53,124 INFO [main.py:798]
{rank 0/64} MD step = 71000 step time: 00:00:00.339902 Performance: 24.226 ns/day 0.991 hours/ns 1.402 steps/s 2024-05-17 09:02:26,987 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 90.008 -19419 9865 -29284 -29284 1.7542 0.43154 -0.71624 1.4242e+05 2024-05-17 09:03:04,752 INFO [main.py:798]
{rank 0/64} MD step = 71100 step time: 00:00:00.348971 Performance: 24.226 ns/day 0.991 hours/ns 1.402 steps/s 2024-05-17 09:04:05,952 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 90.122 -19257 9877.5 -29134 -29134 1.7564 0.43301 -0.71645 1.4263e+05 2024-05-17 09:04:40,755 INFO [main.py:798]
{rank 0/64} MD step = 71200 step time: 00:00:00.338522 Performance: 24.214 ns/day 0.991 hours/ns 1.401 steps/s 2024-05-17 09:06:06,773 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 89.649 -19217 9825.6 -29043 -29043 1.7565 0.43305 -0.71772 1.4282e+05 2024-05-17 09:06:58,644 INFO [main.py:798]
{rank 0/64} MD step = 71300 step time: 00:00:00.350883 Performance: 24.183 ns/day 0.992 hours/ns 1.399 steps/s 2024-05-17 09:07:28,936 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 90.004 -19244 9864.6 -29108 -29108 1.7566 0.4345 -0.71821 1.4307e+05 2024-05-17 09:08:04,817 INFO [main.py:798]
{rank 0/64} MD step = 71400 step time: 00:00:00.344341 Performance: 24.185 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 09:08:40,366 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 89.701 -19407 9831.4 -29238 -29238 1.7595 0.43454 -0.71843 1.4327e+05 2024-05-17 09:09:15,155 INFO [main.py:798]
{rank 0/64} MD step = 71500 step time: 00:00:00.347687 Performance: 24.186 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 09:10:01,436 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 89.39 -19446 9797.2 -29243 -29243 1.7604 0.43603 -0.71942 1.435e+05 2024-05-17 09:10:36,079 INFO [main.py:798]
{rank 0/64} MD step = 71600 step time: 00:00:00.354452 Performance: 24.181 ns/day 0.992 hours/ns 1.399 steps/s 2024-05-17 09:10:54,390 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 90.412 -19221 9909.3 -29131 -29131 1.7612 0.43675 -0.72042 1.437e+05 2024-05-17 09:11:30,555 INFO [main.py:798]
{rank 0/64} MD step = 71700 step time: 00:00:00.348561 Performance: 24.189 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 09:11:53,990 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 90.131 -19311 9878.4 -29190 -29190 1.7611 0.43755 -0.7204 1.439e+05 2024-05-17 09:12:29,786 INFO [main.py:798]
{rank 0/64} MD step = 71800 step time: 00:00:00.344302 Performance: 24.195 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 09:12:50,431 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 89.203 -19308 9776.8 -29084 -29084 1.7612 0.43853 -0.72054 1.4415e+05 2024-05-17 09:13:24,738 INFO [main.py:798]
{rank 0/64} MD step = 71900 step time: 00:00:00.338108 Performance: 24.203 ns/day 0.992 hours/ns 1.401 steps/s 2024-05-17 09:14:05,046 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 89.676 -19241 9828.6 -29070 -29070 1.7598 0.44062 -0.72219 1.4433e+05 2024-05-17 09:14:40,543 INFO [main.py:798]
{rank 0/64} MD step = 72000 step time: 00:00:00.357007 Performance: 24.201 ns/day 0.992 hours/ns 1.401 steps/s 2024-05-17 09:15:00,167 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 91.639 -19004 10044 -29048 -29048 1.7597 0.44208 -0.72416 1.4457e+05 2024-05-17 09:15:34,776 INFO [main.py:798]
{rank 0/64} MD step = 72100 step time: 00:00:00.381433 Performance: 24.209 ns/day 0.991 hours/ns 1.401 steps/s 2024-05-17 09:16:56,035 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 91.188 -19167 9994.3 -29161 -29161 1.7595 0.44147 -0.72448 1.4473e+05 2024-05-17 09:17:30,707 INFO [main.py:798]
{rank 0/64} MD step = 72200 step time: 00:00:00.343927 Performance: 24.188 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 09:18:17,990 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 89.052 -19449 9760.2 -29210 -29210 1.7609 0.44102 -0.72556 1.4497e+05 2024-05-17 09:18:52,691 INFO [main.py:798]
{rank 0/64} MD step = 72300 step time: 00:00:00.356630 Performance: 24.183 ns/day 0.992 hours/ns 1.399 steps/s 2024-05-17 09:19:56,233 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 90.311 -19161 9898.2 -29059 -29059 1.7616 0.44189 -0.72347 1.4517e+05 2024-05-17 09:20:34,187 INFO [main.py:798]
{rank 0/64} MD step = 72400 step time: 00:00:00.348830 Performance: 24.169 ns/day 0.993 hours/ns 1.399 steps/s 2024-05-17 09:21:35,066 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 88.685 -19474 9720 -29194 -29194 1.7619 0.44284 -0.72368 1.4534e+05 2024-05-17 09:22:10,291 INFO [main.py:798]
{rank 0/64} MD step = 72500 step time: 00:00:00.349470 Performance: 24.158 ns/day 0.993 hours/ns 1.398 steps/s 2024-05-17 09:22:45,617 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 90.202 -19095 9886.2 -28981 -28981 1.7623 0.44515 -0.72601 1.4556e+05 2024-05-17 09:23:20,679 INFO [main.py:798]
{rank 0/64} MD step = 72600 step time: 00:00:00.355573 Performance: 24.158 ns/day 0.993 hours/ns 1.398 steps/s 2024-05-17 09:23:45,595 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 89.953 -19329 9859 -29188 -29188 1.7635 0.44551 -0.72666 1.4571e+05 2024-05-17 09:24:19,850 INFO [main.py:798]
{rank 0/64} MD step = 72700 step time: 00:00:00.352273 Performance: 24.164 ns/day 0.993 hours/ns 1.398 steps/s 2024-05-17 09:24:30,216 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 90.349 -19242 9902.4 -29144 -29144 1.7649 0.44463 -0.72736 1.4595e+05 2024-05-17 09:25:04,934 INFO [main.py:798]
{rank 0/64} MD step = 72800 step time: 00:00:00.351398 Performance: 24.176 ns/day 0.993 hours/ns 1.399 steps/s 2024-05-17 09:25:12,038 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 89.764 -19366 9838.2 -29204 -29204 1.7666 0.44566 -0.73051 1.4616e+05 2024-05-17 09:25:47,061 INFO [main.py:798]
{rank 0/64} MD step = 72900 step time: 00:00:00.347828 Performance: 24.190 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 09:26:03,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72900 14580 89.065 -19419 9761.6 -29181 -29181 1.7665 0.44772 -0.73263 1.4634e+05 2024-05-17 09:26:41,359 INFO [main.py:798]
{rank 0/64} MD step = 73000 step time: 00:00:00.379854 Performance: 24.198 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 09:28:09,078 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 90.558 -19063 9925.3 -28988 -28988 1.7675 0.44883 -0.73379 1.4656e+05 2024-05-17 09:28:44,779 INFO [main.py:798]
{rank 0/64} MD step = 73100 step time: 00:00:00.346612 Performance: 24.174 ns/day 0.993 hours/ns 1.399 steps/s 2024-05-17 09:29:05,912 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 89.373 -19523 9795.4 -29319 -29319 1.767 0.44833 -0.73532 1.4673e+05 2024-05-17 09:29:40,536 INFO [main.py:798]
{rank 0/64} MD step = 73200 step time: 00:00:00.336315 Performance: 24.181 ns/day 0.993 hours/ns 1.399 steps/s 2024-05-17 09:29:49,277 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 88.637 -19506 9714.7 -29221 -29221 1.7674 0.44738 -0.73616 1.4697e+05 2024-05-17 09:30:24,881 INFO [main.py:798]
{rank 0/64} MD step = 73300 step time: 00:00:00.340741 Performance: 24.193 ns/day 0.992 hours/ns 1.400 steps/s 2024-05-17 09:30:38,603 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 89.221 -19295 9778.8 -29074 -29074 1.7686 0.44763 -0.73825 1.4725e+05 2024-05-17 09:31:13,958 INFO [main.py:798]
{rank 0/64} MD step = 73400 step time: 00:00:00.380096 Performance: 24.204 ns/day 0.992 hours/ns 1.401 steps/s 2024-05-17 09:31:36,256 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 89.705 -19224 9831.7 -29056 -29056 1.7694 0.44705 -0.74035 1.4742e+05 2024-05-17 09:32:11,348 INFO [main.py:798]
{rank 0/64} MD step = 73500 step time: 00:00:00.348889 Performance: 24.210 ns/day 0.991 hours/ns 1.401 steps/s 2024-05-17 09:32:23,162 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 90.35 -19278 9902.5 -29180 -29180 1.7708 0.4473 -0.74237 1.4755e+05 2024-05-17 09:32:57,583 INFO [main.py:798]
{rank 0/64} MD step = 73600 step time: 00:00:00.335690 Performance: 24.222 ns/day 0.991 hours/ns 1.402 steps/s 2024-05-17 09:33:35,003 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 89.917 -19017 9855 -28872 -28872 1.7718 0.44721 -0.74282 1.4779e+05 2024-05-17 09:34:09,653 INFO [main.py:798]
{rank 0/64} MD step = 73700 step time: 00:00:00.353786 Performance: 24.221 ns/day 0.991 hours/ns 1.402 steps/s 2024-05-17 09:34:25,174 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 89.728 -19181 9834.3 -29015 -29015 1.7731 0.44841 -0.74442 1.4797e+05 2024-05-17 09:35:01,850 INFO [main.py:798]
{rank 0/64} MD step = 73800 step time: 00:00:00.349343 Performance: 24.230 ns/day 0.990 hours/ns 1.402 steps/s 2024-05-17 09:35:21,281 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 90.322 -19194 9899.4 -29093 -29093 1.7727 0.44783 -0.74503 1.4814e+05 2024-05-17 09:35:56,729 INFO [main.py:798]
{rank 0/64} MD step = 73900 step time: 00:00:00.385814 Performance: 24.238 ns/day 0.990 hours/ns 1.403 steps/s 2024-05-17 09:36:26,161 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 90.814 -19042 9953.4 -28995 -28995 1.7739 0.44749 -0.74644 1.4835e+05 2024-05-17 09:37:00,972 INFO [main.py:798]
{rank 0/64} MD step = 74000 step time: 00:00:00.376689 Performance: 24.241 ns/day 0.990 hours/ns 1.403 steps/s 2024-05-17 09:37:10,266 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 90.495 -19173 9918.3 -29091 -29091 1.7747 0.44795 -0.74708 1.4851e+05 2024-05-17 09:37:44,646 INFO [main.py:798]
{rank 0/64} MD step = 74100 step time: 00:00:00.345139 Performance: 24.254 ns/day 0.990 hours/ns 1.404 steps/s 2024-05-17 09:37:53,561 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 89.119 -19296 9767.6 -29064 -29064 1.7752 0.44913 -0.74865 1.4875e+05 2024-05-17 09:38:28,615 INFO [main.py:798]
{rank 0/64} MD step = 74200 step time: 00:00:00.382240 Performance: 24.266 ns/day 0.989 hours/ns 1.404 steps/s 2024-05-17 09:38:45,733 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 90.774 -19189 9949 -29138 -29138 1.775 0.44867 -0.75048 1.4891e+05 2024-05-17 09:39:33,344 INFO [main.py:798]
{rank 0/64} MD step = 74300 step time: 00:00:00.354495 Performance: 24.269 ns/day 0.989 hours/ns 1.404 steps/s 2024-05-17 09:39:49,307 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 90.698 -19229 9940.6 -29169 -29169 1.776 0.44846 -0.75178 1.4911e+05 2024-05-17 09:40:23,893 INFO [main.py:798]
{rank 0/64} MD step = 74400 step time: 00:00:00.369871 Performance: 24.279 ns/day 0.989 hours/ns 1.405 steps/s 2024-05-17 09:41:09,214 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 89.615 -19411 9821.9 -29232 -29232 1.7781 0.44894 -0.7521 1.4933e+05 2024-05-17 09:41:50,961 INFO [main.py:798]
{rank 0/64} MD step = 74500 step time: 00:00:00.352498 Performance: 24.271 ns/day 0.989 hours/ns 1.405 steps/s 2024-05-17 09:42:25,541 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 89 -19158 9754.5 -28912 -28912 1.7768 0.44903 -0.75356 1.4957e+05 2024-05-17 09:43:18,638 INFO [main.py:798]
{rank 0/64} MD step = 74600 step time: 00:00:00.353870 Performance: 24.264 ns/day 0.989 hours/ns 1.404 steps/s 2024-05-17 09:43:51,999 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 91.137 -19188 9988.7 -29177 -29177 1.7762 0.44874 -0.75524 1.4972e+05 2024-05-17 09:44:26,755 INFO [main.py:798]
{rank 0/64} MD step = 74700 step time: 00:00:00.388651 Performance: 24.265 ns/day 0.989 hours/ns 1.404 steps/s 2024-05-17 09:44:56,839 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 91.066 -18944 9981 -28925 -28925 1.7781 0.45043 -0.75707 1.4996e+05 2024-05-17 09:45:36,343 INFO [main.py:798]
{rank 0/64} MD step = 74800 step time: 00:00:00.384489 Performance: 24.266 ns/day 0.989 hours/ns 1.404 steps/s 2024-05-17 09:46:32,172 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 90.761 -19140 9947.6 -29087 -29087 1.7781 0.45169 -0.75926 1.5011e+05 2024-05-17 09:47:08,394 INFO [main.py:798]
{rank 0/64} MD step = 74900 step time: 00:00:00.342100 Performance: 24.257 ns/day 0.989 hours/ns 1.404 steps/s 2024-05-17 09:47:27,876 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 89.624 -19062 9822.9 -28885 -28885 1.7787 0.45288 -0.7602 1.5037e+05 2024-05-17 09:48:02,544 INFO [main.py:798]
{rank 0/64} MD step = 75000 step time: 00:00:00.349305 Performance: 24.264 ns/day 0.989 hours/ns 1.404 steps/s 2024-05-17 09:48:14,426 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 90.397 -19046 9907.6 -28954 -28954 1.7788 0.45317 -0.76222 1.5055e+05 2024-05-17 09:48:54,955 INFO [main.py:798]
{rank 0/64} MD step = 75100 step time: 00:00:00.376031 Performance: 24.273 ns/day 0.989 hours/ns 1.405 steps/s 2024-05-17 09:49:08,988 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 90.66 -19187 9936.4 -29123 -29123 1.7816 0.45357 -0.7634 1.5071e+05 2024-05-17 09:49:44,017 INFO [main.py:798]
{rank 0/64} MD step = 75200 step time: 00:00:00.342272 Performance: 24.283 ns/day 0.988 hours/ns 1.405 steps/s 2024-05-17 09:50:25,382 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 88.243 -19294 9671.5 -28966 -28966 1.7818 0.45348 -0.76627 1.5098e+05 2024-05-17 09:50:59,693 INFO [main.py:798]
{rank 0/64} MD step = 75300 step time: 00:00:00.328051 Performance: 24.281 ns/day 0.988 hours/ns 1.405 steps/s 2024-05-17 09:51:09,398 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 90.349 -18964 9902.4 -28867 -28867 1.7825 0.45496 -0.76818 1.5117e+05 2024-05-17 09:51:45,117 INFO [main.py:798]
{rank 0/64} MD step = 75400 step time: 00:00:00.330968 Performance: 24.292 ns/day 0.988 hours/ns 1.406 steps/s 2024-05-17 09:52:53,551 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 89.169 -19291 9773 -29064 -29064 1.7833 0.45509 -0.76869 1.5136e+05 2024-05-17 09:53:29,135 INFO [main.py:798]
{rank 0/64} MD step = 75500 step time: 00:00:00.376907 Performance: 24.278 ns/day 0.989 hours/ns 1.405 steps/s 2024-05-17 09:53:37,078 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 91.577 -18845 10037 -28882 -28882 1.7854 0.45646 -0.76888 1.516e+05 2024-05-17 09:54:12,642 INFO [main.py:798]
{rank 0/64} MD step = 75600 step time: 00:00:00.379444 Performance: 24.290 ns/day 0.988 hours/ns 1.406 steps/s 2024-05-17 09:54:21,378 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 87.679 -19287 9609.7 -28897 -28897 1.7861 0.45645 -0.7702 1.518e+05 2024-05-17 09:54:56,000 INFO [main.py:798]
{rank 0/64} MD step = 75700 step time: 00:00:00.340710 Performance: 24.303 ns/day 0.988 hours/ns 1.406 steps/s 2024-05-17 09:55:06,072 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 88.839 -19366 9736.9 -29103 -29103 1.7878 0.45693 -0.77098 1.5197e+05 2024-05-17 09:55:40,702 INFO [main.py:798]
{rank 0/64} MD step = 75800 step time: 00:00:00.360598 Performance: 24.315 ns/day 0.987 hours/ns 1.407 steps/s 2024-05-17 09:56:07,477 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 89.814 -19178 9843.7 -29022 -29022 1.7885 0.4585 -0.77199 1.5219e+05 2024-05-17 09:56:50,410 INFO [main.py:798]
{rank 0/64} MD step = 75900 step time: 00:00:00.355358 Performance: 24.315 ns/day 0.987 hours/ns 1.407 steps/s 2024-05-17 09:57:17,444 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 91.58 -18671 10037 -28709 -28709 1.7891 0.45913 -0.77366 1.5243e+05 2024-05-17 09:57:53,720 INFO [main.py:798]
{rank 0/64} MD step = 76000 step time: 00:00:00.354262 Performance: 24.319 ns/day 0.987 hours/ns 1.407 steps/s 2024-05-17 09:58:10,253 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 90.005 -18898 9864.6 -28762 -28762 1.7897 0.46136 -0.77336 1.5265e+05 2024-05-17 09:58:56,803 INFO [main.py:798]
{rank 0/64} MD step = 76100 step time: 00:00:00.358264 Performance: 24.322 ns/day 0.987 hours/ns 1.408 steps/s 2024-05-17 09:59:26,788 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 90.382 -19216 9905.9 -29122 -29122 1.7907 0.4641 -0.77496 1.5283e+05 2024-05-17 10:00:03,838 INFO [main.py:798]
{rank 0/64} MD step = 76200 step time: 00:00:00.367668 Performance: 24.324 ns/day 0.987 hours/ns 1.408 steps/s 2024-05-17 10:00:33,989 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 89.109 -19375 9766.4 -29141 -29141 1.7917 0.467 -0.77509 1.5301e+05 2024-05-17 10:01:08,617 INFO [main.py:798]
{rank 0/64} MD step = 76300 step time: 00:00:00.431034 Performance: 24.327 ns/day 0.987 hours/ns 1.408 steps/s 2024-05-17 10:01:32,558 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 90.529 -19101 9922.1 -29023 -29023 1.7935 0.46856 -0.7754 1.5326e+05 2024-05-17 10:02:09,828 INFO [main.py:798]
{rank 0/64} MD step = 76400 step time: 00:00:00.350290 Performance: 24.331 ns/day 0.986 hours/ns 1.408 steps/s 2024-05-17 10:02:34,411 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 89.859 -18987 9848.7 -28835 -28835 1.7948 0.46795 -0.77717 1.5347e+05 2024-05-17 10:04:13,198 INFO [main.py:798]
{rank 0/64} MD step = 76500 step time: 00:00:00.339253 Performance: 24.308 ns/day 0.987 hours/ns 1.407 steps/s 2024-05-17 10:04:47,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76500 15300 90.255 -19156 9892.1 -29048 -29048 1.7945 0.46745 -0.77866 1.5365e+05 2024-05-17 10:05:23,240 INFO [main.py:798]
{rank 0/64} MD step = 76600 step time: 00:00:00.354323 Performance: 24.308 ns/day 0.987 hours/ns 1.407 steps/s 2024-05-17 10:05:32,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76600 15320 91.012 -18961 9975 -28936 -28936 1.7932 0.4681 -0.77898 1.5385e+05 2024-05-17 10:06:09,100 INFO [main.py:798]
{rank 0/64} MD step = 76700 step time: 00:00:00.353178 Performance: 24.320 ns/day 0.987 hours/ns 1.407 steps/s 2024-05-17 10:06:17,932 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 90.327 -19218 9899.9 -29118 -29118 1.7942 0.46928 -0.77995 1.5407e+05 2024-05-17 10:06:52,401 INFO [main.py:798]
{rank 0/64} MD step = 76800 step time: 00:00:00.363456 Performance: 24.332 ns/day 0.986 hours/ns 1.408 steps/s 2024-05-17 10:07:17,759 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 90.068 -19271 9871.5 -29143 -29143 1.7945 0.46923 -0.77967 1.5423e+05 2024-05-17 10:07:52,191 INFO [main.py:798]
{rank 0/64} MD step = 76900 step time: 00:00:00.331091 Performance: 24.337 ns/day 0.986 hours/ns 1.408 steps/s 2024-05-17 10:07:58,030 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 90.75 -19300 9946.4 -29247 -29247 1.795 0.47088 -0.78054 1.5443e+05 2024-05-17 10:08:39,445 INFO [main.py:798]
{rank 0/64} MD step = 77000 step time: 00:00:00.337086 Performance: 24.348 ns/day 0.986 hours/ns 1.409 steps/s 2024-05-17 10:09:33,438 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 89.757 -19191 9837.5 -29028 -29028 1.7953 0.47195 -0.78274 1.5467e+05 2024-05-17 10:10:08,347 INFO [main.py:798]
{rank 0/64} MD step = 77100 step time: 00:00:00.338199 Performance: 24.340 ns/day 0.986 hours/ns 1.409 steps/s 2024-05-17 10:10:26,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77100 15420 90.186 -19200 9884.5 -29084 -29084 1.7927 0.47208 -0.78479 1.5486e+05 2024-05-17 10:11:00,486 INFO [main.py:798]
{rank 0/64} MD step = 77200 step time: 00:00:00.351577 Performance: 24.348 ns/day 0.986 hours/ns 1.409 steps/s 2024-05-17 10:12:07,075 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 89.354 -19289 9793.3 -29082 -29082 1.7943 0.47199 -0.78645 1.5507e+05 2024-05-17 10:12:41,693 INFO [main.py:798]
{rank 0/64} MD step = 77300 step time: 00:00:00.351597 Performance: 24.334 ns/day 0.986 hours/ns 1.408 steps/s 2024-05-17 10:13:39,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77300 15460 90.309 -19176 9898 -29074 -29074 1.7937 0.47306 -0.78652 1.5526e+05 2024-05-17 10:14:19,266 INFO [main.py:798]
{rank 0/64} MD step = 77400 step time: 00:00:00.337433 Performance: 24.323 ns/day 0.987 hours/ns 1.408 steps/s 2024-05-17 10:14:55,040 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 89.437 -19224 9802.4 -29027 -29027 1.7953 0.47316 -0.78877 1.5544e+05 2024-05-17 10:15:30,089 INFO [main.py:798]
{rank 0/64} MD step = 77500 step time: 00:00:00.347135 Performance: 24.323 ns/day 0.987 hours/ns 1.408 steps/s 2024-05-17 10:16:28,454 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 90.206 -19057 9886.7 -28944 -28944 1.7941 0.47551 -0.78987 1.5569e+05 2024-05-17 10:17:06,931 INFO [main.py:798]
{rank 0/64} MD step = 77600 step time: 00:00:00.365679 Performance: 24.311 ns/day 0.987 hours/ns 1.407 steps/s 2024-05-17 10:17:30,251 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 90.098 -19221 9874.9 -29096 -29096 1.7949 0.47581 -0.79201 1.5587e+05 2024-05-17 10:18:06,638 INFO [main.py:798]
{rank 0/64} MD step = 77700 step time: 00:00:00.368221 Performance: 24.316 ns/day 0.987 hours/ns 1.407 steps/s 2024-05-17 10:18:20,211 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 90.215 -19142 9887.7 -29029 -29029 1.7974 0.47551 -0.79178 1.5609e+05 2024-05-17 10:18:54,585 INFO [main.py:798]
{rank 0/64} MD step = 77800 step time: 00:00:00.341492 Performance: 24.327 ns/day 0.987 hours/ns 1.408 steps/s 2024-05-17 10:19:16,188 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 88.437 -19160 9692.9 -28853 -28853 1.7983 0.47591 -0.79405 1.5631e+05 2024-05-17 10:19:50,903 INFO [main.py:798]
{rank 0/64} MD step = 77900 step time: 00:00:00.333917 Performance: 24.333 ns/day 0.986 hours/ns 1.408 steps/s 2024-05-17 10:20:01,826 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 89.965 -18954 9860.3 -28814 -28814 1.8009 0.47803 -0.79528 1.5651e+05 2024-05-17 10:20:36,702 INFO [main.py:798]
{rank 0/64} MD step = 78000 step time: 00:00:00.347668 Performance: 24.344 ns/day 0.986 hours/ns 1.409 steps/s 2024-05-17 10:21:19,245 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 91.679 -18902 10048 -28950 -28950 1.802 0.479 -0.79562 1.5667e+05 2024-05-17 10:21:55,438 INFO [main.py:798]
{rank 0/64} MD step = 78100 step time: 00:00:00.328632 Performance: 24.341 ns/day 0.986 hours/ns 1.409 steps/s 2024-05-17 10:22:05,185 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 90.194 -18874 9885.3 -28759 -28759 1.8015 0.47972 -0.79496 1.5691e+05 2024-05-17 10:22:41,455 INFO [main.py:798]
{rank 0/64} MD step = 78200 step time: 00:00:00.332407 Performance: 24.352 ns/day 0.986 hours/ns 1.409 steps/s 2024-05-17 10:22:54,792 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 91.399 -18876 10017 -28893 -28893 1.8017 0.47927 -0.79612 1.5707e+05 2024-05-17 10:23:30,960 INFO [main.py:798]
{rank 0/64} MD step = 78300 step time: 00:00:00.363359 Performance: 24.361 ns/day 0.985 hours/ns 1.410 steps/s 2024-05-17 10:24:23,281 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 90.323 -18963 9899.5 -28863 -28863 1.8016 0.47965 -0.79772 1.5726e+05 2024-05-17 10:25:00,623 INFO [main.py:798]
{rank 0/64} MD step = 78400 step time: 00:00:00.372010 Performance: 24.353 ns/day 0.986 hours/ns 1.409 steps/s 2024-05-17 10:25:19,553 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 90.056 -19279 9870.3 -29149 -29149 1.8032 0.48069 -0.79722 1.5743e+05 2024-05-17 10:26:07,140 INFO [main.py:798]
{rank 0/64} MD step = 78500 step time: 00:00:00.345375 Performance: 24.355 ns/day 0.985 hours/ns 1.409 steps/s 2024-05-17 10:26:19,891 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 89.822 -19233 9844.6 -29078 -29078 1.8037 0.48197 -0.79745 1.5765e+05 2024-05-17 10:26:54,641 INFO [main.py:798]
{rank 0/64} MD step = 78600 step time: 00:00:00.352065 Performance: 24.365 ns/day 0.985 hours/ns 1.410 steps/s 2024-05-17 10:27:11,809 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 89.146 -19274 9770.5 -29044 -29044 1.8043 0.48361 -0.7957 1.5783e+05 2024-05-17 10:27:47,049 INFO [main.py:798]
{rank 0/64} MD step = 78700 step time: 00:00:00.345684 Performance: 24.373 ns/day 0.985 hours/ns 1.410 steps/s 2024-05-17 10:28:12,651 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 90.672 -19035 9937.8 -28973 -28973 1.8042 0.48607 -0.79688 1.5805e+05 2024-05-17 10:28:49,977 INFO [main.py:798]
{rank 0/64} MD step = 78800 step time: 00:00:00.350174 Performance: 24.377 ns/day 0.985 hours/ns 1.411 steps/s 2024-05-17 10:29:07,198 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 89.845 -19247 9847.2 -29094 -29094 1.8063 0.48582 -0.79763 1.5824e+05 2024-05-17 10:29:41,714 INFO [main.py:798]
{rank 0/64} MD step = 78900 step time: 00:00:00.373881 Performance: 24.385 ns/day 0.984 hours/ns 1.411 steps/s 2024-05-17 10:29:53,987 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 90.263 -19241 9892.9 -29134 -29134 1.8073 0.48553 -0.79763 1.5843e+05 2024-05-17 10:30:31,618 INFO [main.py:798]
{rank 0/64} MD step = 79000 step time: 00:00:00.380035 Performance: 24.394 ns/day 0.984 hours/ns 1.412 steps/s 2024-05-17 10:30:54,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79000 15800 89.762 -19110 9838 -28948 -28948 1.807 0.48654 -0.79862 1.587e+05 2024-05-17 10:31:29,731 INFO [main.py:798]
{rank 0/64} MD step = 79100 step time: 00:00:00.339527 Performance: 24.400 ns/day 0.984 hours/ns 1.412 steps/s 2024-05-17 10:31:44,359 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 90.342 -19065 9901.6 -28967 -28967 1.8077 0.48818 -0.80081 1.589e+05 2024-05-17 10:32:19,538 INFO [main.py:798]
{rank 0/64} MD step = 79200 step time: 00:00:00.383986 Performance: 24.409 ns/day 0.983 hours/ns 1.413 steps/s 2024-05-17 10:32:26,786 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 91.533 -18915 10032 -28947 -28947 1.8073 0.48944 -0.80477 1.5909e+05 2024-05-17 10:33:01,526 INFO [main.py:798]
{rank 0/64} MD step = 79300 step time: 00:00:00.352073 Performance: 24.421 ns/day 0.983 hours/ns 1.413 steps/s 2024-05-17 10:33:15,675 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 89.591 -19001 9819.3 -28820 -28820 1.8084 0.49149 -0.80696 1.5934e+05 2024-05-17 10:33:49,936 INFO [main.py:798]
{rank 0/64} MD step = 79400 step time: 00:00:00.346767 Performance: 24.431 ns/day 0.982 hours/ns 1.414 steps/s 2024-05-17 10:33:59,408 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 90.267 -19007 9893.4 -28900 -28900 1.8083 0.49262 -0.80881 1.5949e+05 2024-05-17 10:34:34,477 INFO [main.py:798]
{rank 0/64} MD step = 79500 step time: 00:00:00.365099 Performance: 24.442 ns/day 0.982 hours/ns 1.414 steps/s 2024-05-17 10:35:09,583 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 88.753 -19130 9727.4 -28857 -28857 1.8087 0.49382 -0.80976 1.5967e+05 2024-05-17 10:35:46,855 INFO [main.py:798]
{rank 0/64} MD step = 79600 step time: 00:00:00.376550 Performance: 24.442 ns/day 0.982 hours/ns 1.414 steps/s 2024-05-17 10:36:09,200 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 91.65 -18626 10045 -28671 -28671 1.8068 0.49349 -0.81332 1.5993e+05 2024-05-17 10:36:46,277 INFO [main.py:798]
{rank 0/64} MD step = 79700 step time: 00:00:00.334648 Performance: 24.447 ns/day 0.982 hours/ns 1.415 steps/s 2024-05-17 10:36:56,768 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 89.434 -18920 9802.1 -28722 -28722 1.8098 0.49473 -0.81349 1.6011e+05 2024-05-17 10:37:31,499 INFO [main.py:798]
{rank 0/64} MD step = 79800 step time: 00:00:00.361503 Performance: 24.458 ns/day 0.981 hours/ns 1.415 steps/s 2024-05-17 10:37:40,449 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 90.076 -18935 9872.5 -28808 -28808 1.8107 0.49725 -0.81391 1.603e+05 2024-05-17 10:38:18,287 INFO [main.py:798]
{rank 0/64} MD step = 79900 step time: 00:00:00.376400 Performance: 24.468 ns/day 0.981 hours/ns 1.416 steps/s 2024-05-17 10:38:54,213 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 89.867 -18886 9849.5 -28735 -28735 1.8105 0.49622 -0.81521 1.6052e+05 2024-05-17 10:39:29,700 INFO [main.py:798]
{rank 0/64} MD step = 80000 step time: 00:00:00.340049 Performance: 24.468 ns/day 0.981 hours/ns 1.416 steps/s 2024-05-17 10:39:59,363 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 90.031 -18910 9867.5 -28777 -28777 1.8111 0.49677 -0.81361 1.6071e+05 2024-05-17 10:40:33,835 INFO [main.py:798]
{rank 0/64} MD step = 80100 step time: 00:00:00.347081 Performance: 24.471 ns/day 0.981 hours/ns 1.416 steps/s 2024-05-17 10:41:43,495 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 90.145 -18934 9880 -28814 -28814 1.8126 0.49819 -0.81479 1.6093e+05 2024-05-17 10:42:18,509 INFO [main.py:798]
{rank 0/64} MD step = 80200 step time: 00:00:00.374769 Performance: 24.456 ns/day 0.981 hours/ns 1.415 steps/s 2024-05-17 10:42:43,483 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 88.626 -19150 9713.6 -28864 -28864 1.8146 0.50037 -0.81419 1.6112e+05 2024-05-17 10:43:18,658 INFO [main.py:798]
{rank 0/64} MD step = 80300 step time: 00:00:00.358336 Performance: 24.460 ns/day 0.981 hours/ns 1.416 steps/s 2024-05-17 10:43:39,048 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 90.567 -19018 9926.2 -28944 -28944 1.8136 0.4994 -0.81414 1.6126e+05 2024-05-17 10:44:13,375 INFO [main.py:798]
{rank 0/64} MD step = 80400 step time: 00:00:00.333791 Performance: 24.467 ns/day 0.981 hours/ns 1.416 steps/s 2024-05-17 10:44:25,529 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 91.365 -18921 10014 -28935 -28935 1.8139 0.50027 -0.81486 1.6148e+05 2024-05-17 10:45:00,021 INFO [main.py:798]
{rank 0/64} MD step = 80500 step time: 00:00:00.355826 Performance: 24.478 ns/day 0.980 hours/ns 1.417 steps/s 2024-05-17 10:45:06,537 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 90.034 -19180 9867.9 -29048 -29048 1.8144 0.50078 -0.81494 1.6162e+05 2024-05-17 10:45:41,210 INFO [main.py:798]
{rank 0/64} MD step = 80600 step time: 00:00:00.340732 Performance: 24.490 ns/day 0.980 hours/ns 1.417 steps/s 2024-05-17 10:46:07,170 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 90.818 -18873 9953.8 -28827 -28827 1.8144 0.50132 -0.81568 1.6184e+05 2024-05-17 10:46:41,235 INFO [main.py:798]
{rank 0/64} MD step = 80700 step time: 00:00:00.342359 Performance: 24.495 ns/day 0.980 hours/ns 1.418 steps/s 2024-05-17 10:46:46,685 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 89.441 -19149 9802.9 -28952 -28952 1.8156 0.49917 -0.81761 1.6203e+05 2024-05-17 10:47:21,350 INFO [main.py:798]
{rank 0/64} MD step = 80800 step time: 00:00:00.354813 Performance: 24.508 ns/day 0.979 hours/ns 1.418 steps/s 2024-05-17 10:47:54,224 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 90.248 -19150 9891.3 -29042 -29042 1.8157 0.50075 -0.81803 1.622e+05 2024-05-17 10:48:29,960 INFO [main.py:798]
{rank 0/64} MD step = 80900 step time: 00:00:00.380523 Performance: 24.509 ns/day 0.979 hours/ns 1.418 steps/s 2024-05-17 10:48:55,118 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 89.636 -19177 9824.2 -29001 -29001 1.8165 0.50092 -0.81879 1.6242e+05 2024-05-17 10:49:31,082 INFO [main.py:798]
{rank 0/64} MD step = 81000 step time: 00:00:00.344528 Performance: 24.513 ns/day 0.979 hours/ns 1.419 steps/s 2024-05-17 10:50:06,842 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 89.032 -19174 9758.1 -28932 -28932 1.8187 0.50075 -0.81923 1.6261e+05 2024-05-17 10:50:42,635 INFO [main.py:798]
{rank 0/64} MD step = 81100 step time: 00:00:00.382644 Performance: 24.512 ns/day 0.979 hours/ns 1.419 steps/s 2024-05-17 10:51:05,330 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 90.475 -19131 9916.2 -29047 -29047 1.8192 0.49883 -0.81957 1.6281e+05 2024-05-17 10:51:41,845 INFO [main.py:798]
{rank 0/64} MD step = 81200 step time: 00:00:00.337057 Performance: 24.517 ns/day 0.979 hours/ns 1.419 steps/s 2024-05-17 10:51:50,176 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 89.943 -19070 9857.9 -28928 -28928 1.8208 0.49899 -0.82124 1.6302e+05 2024-05-17 10:52:24,488 INFO [main.py:798]
{rank 0/64} MD step = 81300 step time: 00:00:00.327252 Performance: 24.529 ns/day 0.978 hours/ns 1.419 steps/s 2024-05-17 10:55:53,601 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 90.184 -19198 9884.2 -29082 -29082 1.8215 0.49847 -0.82275 1.6324e+05 2024-05-17 10:56:28,744 INFO [main.py:798]
{rank 0/64} MD step = 81400 step time: 00:00:00.351785 Performance: 24.455 ns/day 0.981 hours/ns 1.415 steps/s 2024-05-17 10:57:52,721 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 90.195 -19157 9885.5 -29042 -29042 1.8227 0.49688 -0.82372 1.6344e+05 2024-05-17 10:58:27,693 INFO [main.py:798]
{rank 0/64} MD step = 81500 step time: 00:00:00.351880 Performance: 24.434 ns/day 0.982 hours/ns 1.414 steps/s 2024-05-17 10:59:03,334 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 88.96 -19224 9750.1 -28974 -28974 1.8239 0.49539 -0.82486 1.6365e+05 2024-05-17 10:59:41,235 INFO [main.py:798]
{rank 0/64} MD step = 81600 step time: 00:00:00.354930 Performance: 24.433 ns/day 0.982 hours/ns 1.414 steps/s 2024-05-17 10:59:58,294 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 91.032 -18828 9977.2 -28805 -28805 1.8235 0.49544 -0.8254 1.6387e+05 2024-05-17 11:00:33,192 INFO [main.py:798]
{rank 0/64} MD step = 81700 step time: 00:00:00.334840 Performance: 24.441 ns/day 0.982 hours/ns 1.414 steps/s 2024-05-17 11:00:50,230 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 89.411 -19112 9799.6 -28911 -28911 1.824 0.49656 -0.82628 1.6409e+05 2024-05-17 11:01:27,265 INFO [main.py:798]
{rank 0/64} MD step = 81800 step time: 00:00:00.374715 Performance: 24.448 ns/day 0.982 hours/ns 1.415 steps/s 2024-05-17 11:01:34,268 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 91.625 -18880 10042 -28922 -28922 1.8264 0.49832 -0.82654 1.6425e+05 2024-05-17 11:02:10,204 INFO [main.py:798]
{rank 0/64} MD step = 81900 step time: 00:00:00.379397 Performance: 24.460 ns/day 0.981 hours/ns 1.415 steps/s 2024-05-17 11:03:54,412 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 90.395 -19082 9907.4 -28989 -28989 1.8272 0.49805 -0.82803 1.6443e+05 2024-05-17 11:04:38,819 INFO [main.py:798]
{rank 0/64} MD step = 82000 step time: 00:00:00.333271 Performance: 24.427 ns/day 0.983 hours/ns 1.414 steps/s 2024-05-17 11:05:01,986 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 89.879 -19264 9850.8 -29114 -29114 1.8275 0.49976 -0.82822 1.6463e+05 2024-05-17 11:05:36,995 INFO [main.py:798]
{rank 0/64} MD step = 82100 step time: 00:00:00.362156 Performance: 24.432 ns/day 0.982 hours/ns 1.414 steps/s 2024-05-17 11:05:46,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82100 16420 91.782 -19056 10059 -29115 -29115 1.8283 0.49989 -0.82881 1.6483e+05 2024-05-17 11:06:20,881 INFO [main.py:798]
{rank 0/64} MD step = 82200 step time: 00:00:00.355299 Performance: 24.444 ns/day 0.982 hours/ns 1.415 steps/s 2024-05-17 11:06:40,342 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 90.148 -18974 9880.4 -28854 -28854 1.8291 0.50079 -0.82835 1.6508e+05 2024-05-17 11:07:16,266 INFO [main.py:798]
{rank 0/64} MD step = 82300 step time: 00:00:00.342538 Performance: 24.450 ns/day 0.982 hours/ns 1.415 steps/s 2024-05-17 11:07:31,888 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 90.893 -19064 9962 -29026 -29026 1.8284 0.50133 -0.83011 1.6524e+05 2024-05-17 11:08:07,003 INFO [main.py:798]
{rank 0/64} MD step = 82400 step time: 00:00:00.359032 Performance: 24.458 ns/day 0.981 hours/ns 1.415 steps/s 2024-05-17 11:08:27,774 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 89.725 -19300 9834 -29134 -29134 1.8291 0.50269 -0.83242 1.6544e+05 2024-05-17 11:09:17,507 INFO [main.py:798]
{rank 0/64} MD step = 82500 step time: 00:00:00.393135 Performance: 24.458 ns/day 0.981 hours/ns 1.415 steps/s 2024-05-17 11:09:27,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82500 16500 89.655 -19257 9826.3 -29083 -29083 1.8298 0.50125 -0.83437 1.6567e+05 2024-05-17 11:10:01,924 INFO [main.py:798]
{rank 0/64} MD step = 82600 step time: 00:00:00.353567 Performance: 24.469 ns/day 0.981 hours/ns 1.416 steps/s 2024-05-17 11:10:09,877 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 89.812 -19439 9843.5 -29283 -29283 1.8309 0.50174 -0.8365 1.6582e+05 2024-05-17 11:10:45,527 INFO [main.py:798]
{rank 0/64} MD step = 82700 step time: 00:00:00.345988 Performance: 24.481 ns/day 0.980 hours/ns 1.417 steps/s 2024-05-17 11:10:57,598 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 90.864 -19245 9958.8 -29204 -29204 1.8317 0.50132 -0.83727 1.6603e+05 2024-05-17 11:11:33,489 INFO [main.py:798]
{rank 0/64} MD step = 82800 step time: 00:00:00.346783 Performance: 24.490 ns/day 0.980 hours/ns 1.417 steps/s 2024-05-17 11:11:44,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82800 16560 90.758 -19482 9947.2 -29429 -29429 1.8328 0.50126 -0.83818 1.6623e+05 2024-05-17 11:12:19,312 INFO [main.py:798]
{rank 0/64} MD step = 82900 step time: 00:00:00.338544 Performance: 24.501 ns/day 0.980 hours/ns 1.418 steps/s 2024-05-17 11:12:34,432 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 89.695 -19380 9830.7 -29211 -29211 1.8321 0.50185 -0.83829 1.6643e+05 2024-05-17 11:13:13,225 INFO [main.py:798]
{rank 0/64} MD step = 83000 step time: 00:00:00.340136 Performance: 24.507 ns/day 0.979 hours/ns 1.418 steps/s 2024-05-17 11:13:19,483 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 89.709 -19456 9832.2 -29288 -29288 1.832 0.50283 -0.83986 1.6666e+05 2024-05-17 11:13:56,209 INFO [main.py:798]
{rank 0/64} MD step = 83100 step time: 00:00:00.336287 Performance: 24.519 ns/day 0.979 hours/ns 1.419 steps/s 2024-05-17 11:14:12,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83100 16620 90.093 -19138 9874.3 -29013 -29013 1.8324 0.5036 -0.84049 1.6686e+05 2024-05-17 11:14:49,184 INFO [main.py:798]
{rank 0/64} MD step = 83200 step time: 00:00:00.360035 Performance: 24.526 ns/day 0.979 hours/ns 1.419 steps/s 2024-05-17 11:14:55,619 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 91.372 -18916 10015 -28931 -28931 1.8326 0.50277 -0.84209 1.6704e+05 2024-05-17 11:15:30,954 INFO [main.py:798]
{rank 0/64} MD step = 83300 step time: 00:00:00.352193 Performance: 24.538 ns/day 0.978 hours/ns 1.420 steps/s 2024-05-17 11:15:40,728 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 89.587 -19410 9818.8 -29228 -29228 1.8338 0.50295 -0.84133 1.6724e+05 2024-05-17 11:16:15,586 INFO [main.py:798]
{rank 0/64} MD step = 83400 step time: 00:00:00.378056 Performance: 24.549 ns/day 0.978 hours/ns 1.421 steps/s 2024-05-17 11:16:24,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83400 16680 88.467 -19415 9696.1 -29112 -29112 1.8349 0.50365 -0.84282 1.6744e+05 2024-05-17 11:16:59,637 INFO [main.py:798]
{rank 0/64} MD step = 83500 step time: 00:00:00.364060 Performance: 24.560 ns/day 0.977 hours/ns 1.421 steps/s 2024-05-17 11:17:27,173 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 88.634 -19599 9714.4 -29314 -29314 1.8346 0.50474 -0.8424 1.6764e+05 2024-05-17 11:18:01,979 INFO [main.py:798]
{rank 0/64} MD step = 83600 step time: 00:00:00.363639 Performance: 24.563 ns/day 0.977 hours/ns 1.421 steps/s 2024-05-17 11:18:10,896 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 90.082 -19275 9873.1 -29148 -29148 1.835 0.5038 -0.84405 1.6785e+05 2024-05-17 11:18:46,013 INFO [main.py:798]
{rank 0/64} MD step = 83700 step time: 00:00:00.355353 Performance: 24.574 ns/day 0.977 hours/ns 1.422 steps/s 2024-05-17 11:19:05,427 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 89.693 -19359 9830.4 -29190 -29190 1.8365 0.50471 -0.84484 1.6803e+05 2024-05-17 11:19:39,927 INFO [main.py:798]
{rank 0/64} MD step = 83800 step time: 00:00:00.341765 Performance: 24.581 ns/day 0.976 hours/ns 1.423 steps/s 2024-05-17 11:19:51,945 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 91.179 -18998 9993.3 -28991 -28991 1.8367 0.50515 -0.84713 1.6825e+05 2024-05-17 11:20:26,682 INFO [main.py:798]
{rank 0/64} MD step = 83900 step time: 00:00:00.367309 Performance: 24.591 ns/day 0.976 hours/ns 1.423 steps/s 2024-05-17 11:20:31,570 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 90.645 -19110 9934.8 -29044 -29044 1.8384 0.50441 -0.84633 1.6842e+05 2024-05-17 11:21:15,813 INFO [main.py:798]
{rank 0/64} MD step = 84000 step time: 00:00:00.329117 Performance: 24.600 ns/day 0.976 hours/ns 1.424 steps/s 2024-05-17 11:21:27,560 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 88.942 -19436 9748.2 -29184 -29184 1.8397 0.50434 -0.84645 1.6858e+05 2024-05-17 11:22:02,369 INFO [main.py:798]
{rank 0/64} MD step = 84100 step time: 00:00:00.331209 Performance: 24.610 ns/day 0.975 hours/ns 1.424 steps/s 2024-05-17 11:22:15,655 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 89.435 -19493 9802.2 -29295 -29295 1.8408 0.50499 -0.84845 1.6879e+05 2024-05-17 11:22:50,412 INFO [main.py:798]
{rank 0/64} MD step = 84200 step time: 00:00:00.353720 Performance: 24.619 ns/day 0.975 hours/ns 1.425 steps/s 2024-05-17 11:23:50,797 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 89.259 -19207 9782.9 -28990 -28990 1.8438 0.50601 -0.8483 1.6901e+05 2024-05-17 11:24:26,237 INFO [main.py:798]
{rank 0/64} MD step = 84300 step time: 00:00:00.380321 Performance: 24.608 ns/day 0.975 hours/ns 1.424 steps/s 2024-05-17 11:24:51,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84300 16860 90.818 -19153 9953.7 -29107 -29107 1.8436 0.50605 -0.84738 1.6916e+05 2024-05-17 11:25:28,317 INFO [main.py:798]
{rank 0/64} MD step = 84400 step time: 00:00:00.340439 Performance: 24.612 ns/day 0.975 hours/ns 1.424 steps/s 2024-05-17 11:25:43,865 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 89.465 -19147 9805.5 -28952 -28952 1.8457 0.50609 -0.8494 1.6938e+05 2024-05-17 11:26:19,320 INFO [main.py:798]
{rank 0/64} MD step = 84500 step time: 00:00:00.342384 Performance: 24.620 ns/day 0.975 hours/ns 1.425 steps/s 2024-05-17 11:26:30,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84500 16900 88.41 -19525 9689.8 -29215 -29215 1.8468 0.50564 -0.85205 1.6953e+05 2024-05-17 11:27:06,032 INFO [main.py:798]
{rank 0/64} MD step = 84600 step time: 00:00:00.365172 Performance: 24.629 ns/day 0.974 hours/ns 1.425 steps/s 2024-05-17 11:27:19,811 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 89.225 -19221 9779.2 -29000 -29000 1.8471 0.50541 -0.85351 1.6978e+05 2024-05-17 11:27:54,818 INFO [main.py:798]
{rank 0/64} MD step = 84700 step time: 00:00:00.342179 Performance: 24.638 ns/day 0.974 hours/ns 1.426 steps/s 2024-05-17 11:29:04,672 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 90.216 -19115 9887.8 -29003 -29003 1.848 0.50418 -0.85484 1.7e+05 2024-05-17 11:29:40,677 INFO [main.py:798]
{rank 0/64} MD step = 84800 step time: 00:00:00.353127 Performance: 24.624 ns/day 0.975 hours/ns 1.425 steps/s 2024-05-17 11:30:00,940 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 89.225 -19325 9779.2 -29104 -29104 1.8504 0.50366 -0.85574 1.702e+05 2024-05-17 11:30:36,982 INFO [main.py:798]
{rank 0/64} MD step = 84900 step time: 00:00:00.341733 Performance: 24.629 ns/day 0.974 hours/ns 1.425 steps/s 2024-05-17 11:31:07,170 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 90.19 -19020 9884.9 -28905 -28905 1.8516 0.50332 -0.85751 1.7042e+05 2024-05-17 11:31:43,338 INFO [main.py:798]
{rank 0/64} MD step = 85000 step time: 00:00:00.376792 Performance: 24.631 ns/day 0.974 hours/ns 1.425 steps/s 2024-05-17 11:31:54,279 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 90.327 -18835 9899.9 -28735 -28735 1.853 0.5028 -0.85752 1.7063e+05 2024-05-17 11:32:28,721 INFO [main.py:798]
{rank 0/64} MD step = 85100 step time: 00:00:00.349888 Performance: 24.641 ns/day 0.974 hours/ns 1.426 steps/s 2024-05-17 11:32:35,490 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 90.112 -18832 9876.4 -28708 -28708 1.854 0.50309 -0.8591 1.7085e+05 2024-05-17 11:33:10,107 INFO [main.py:798]
{rank 0/64} MD step = 85200 step time: 00:00:00.349783 Performance: 24.653 ns/day 0.974 hours/ns 1.427 steps/s 2024-05-17 11:33:22,635 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 90.724 -18918 9943.4 -28861 -28861 1.8545 0.50346 -0.8582 1.7103e+05 2024-05-17 11:33:59,493 INFO [main.py:798]
{rank 0/64} MD step = 85300 step time: 00:00:00.355021 Performance: 24.661 ns/day 0.973 hours/ns 1.427 steps/s 2024-05-17 11:34:19,564 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 89.819 -19316 9844.2 -29161 -29161 1.8543 0.50441 -0.85794 1.7117e+05 2024-05-17 11:34:54,379 INFO [main.py:798]
{rank 0/64} MD step = 85400 step time: 00:00:00.351268 Performance: 24.668 ns/day 0.973 hours/ns 1.428 steps/s 2024-05-17 11:35:07,190 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 89.389 -19187 9797.1 -28984 -28984 1.8575 0.50471 -0.86161 1.7139e+05 2024-05-17 11:35:41,789 INFO [main.py:798]
{rank 0/64} MD step = 85500 step time: 00:00:00.355319 Performance: 24.677 ns/day 0.973 hours/ns 1.428 steps/s 2024-05-17 11:35:51,913 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 89.944 -19160 9858 -29018 -29018 1.8598 0.50519 -0.86117 1.7156e+05 2024-05-17 11:36:27,596 INFO [main.py:798]
{rank 0/64} MD step = 85600 step time: 00:00:00.379877 Performance: 24.687 ns/day 0.972 hours/ns 1.429 steps/s 2024-05-17 11:36:45,930 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 90.221 -19191 9888.3 -29079 -29079 1.8601 0.5038 -0.86252 1.7175e+05 2024-05-17 11:37:20,675 INFO [main.py:798]
{rank 0/64} MD step = 85700 step time: 00:00:00.357559 Performance: 24.694 ns/day 0.972 hours/ns 1.429 steps/s 2024-05-17 11:37:51,669 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 90.99 -18922 9972.6 -28895 -28895 1.862 0.50346 -0.86348 1.7196e+05 2024-05-17 11:38:26,546 INFO [main.py:798]
{rank 0/64} MD step = 85800 step time: 00:00:00.358091 Performance: 24.696 ns/day 0.972 hours/ns 1.429 steps/s 2024-05-17 11:38:52,596 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 89.807 -19273 9843 -29115 -29115 1.8638 0.50361 -0.86485 1.7214e+05 2024-05-17 11:39:28,934 INFO [main.py:798]
{rank 0/64} MD step = 85900 step time: 00:00:00.356320 Performance: 24.699 ns/day 0.972 hours/ns 1.429 steps/s 2024-05-17 11:40:59,818 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 90.536 -19241 9922.9 -29164 -29164 1.8658 0.50195 -0.86592 1.7237e+05 2024-05-17 11:41:34,612 INFO [main.py:798]
{rank 0/64} MD step = 86000 step time: 00:00:00.377396 Performance: 24.676 ns/day 0.973 hours/ns 1.428 steps/s 2024-05-17 11:41:49,312 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 90.992 -18881 9972.8 -28854 -28854 1.8655 0.50041 -0.86858 1.726e+05 2024-05-17 11:42:23,857 INFO [main.py:798]
{rank 0/64} MD step = 86100 step time: 00:00:00.339581 Performance: 24.684 ns/day 0.972 hours/ns 1.428 steps/s 2024-05-17 11:42:40,533 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 88.272 -19315 9674.7 -28990 -28990 1.8665 0.50243 -0.86976 1.7279e+05 2024-05-17 11:43:15,218 INFO [main.py:798]
{rank 0/64} MD step = 86200 step time: 00:00:00.349451 Performance: 24.692 ns/day 0.972 hours/ns 1.429 steps/s 2024-05-17 11:43:40,663 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 89.163 -19189 9772.4 -28962 -28962 1.8684 0.50258 -0.86955 1.7299e+05 2024-05-17 11:44:15,403 INFO [main.py:798]
{rank 0/64} MD step = 86300 step time: 00:00:00.341408 Performance: 24.696 ns/day 0.972 hours/ns 1.429 steps/s 2024-05-17 11:44:29,195 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 89.59 -19105 9819.2 -28925 -28925 1.8705 0.50241 -0.87136 1.7321e+05 2024-05-17 11:45:05,088 INFO [main.py:798]
{rank 0/64} MD step = 86400 step time: 00:00:00.351050 Performance: 24.704 ns/day 0.971 hours/ns 1.430 steps/s 2024-05-17 11:45:40,238 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 91.01 -19086 9974.8 -29061 -29061 1.8725 0.50268 -0.87325 1.734e+05 2024-05-17 11:46:15,204 INFO [main.py:798]
{rank 0/64} MD step = 86500 step time: 00:00:00.352973 Performance: 24.704 ns/day 0.971 hours/ns 1.430 steps/s 2024-05-17 11:46:25,883 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 88.937 -19399 9747.6 -29147 -29147 1.8746 0.50293 -0.87468 1.7361e+05 2024-05-17 11:47:02,077 INFO [main.py:798]
{rank 0/64} MD step = 86600 step time: 00:00:00.378237 Performance: 24.714 ns/day 0.971 hours/ns 1.430 steps/s 2024-05-17 11:47:24,718 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 89.899 -19292 9853.1 -29145 -29145 1.8756 0.50228 -0.87586 1.7381e+05 2024-05-17 11:47:59,257 INFO [main.py:798]
{rank 0/64} MD step = 86700 step time: 00:00:00.360244 Performance: 24.719 ns/day 0.971 hours/ns 1.430 steps/s 2024-05-17 11:48:09,317 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 88.822 -19497 9735 -29232 -29232 1.8748 0.50304 -0.87827 1.7402e+05 2024-05-17 11:48:43,910 INFO [main.py:798]
{rank 0/64} MD step = 86800 step time: 00:00:00.344643 Performance: 24.729 ns/day 0.971 hours/ns 1.431 steps/s 2024-05-17 11:48:58,691 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 90.84 -19098 9956.2 -29054 -29054 1.8766 0.50377 -0.87982 1.7423e+05 2024-05-17 11:49:33,052 INFO [main.py:798]
{rank 0/64} MD step = 86900 step time: 00:00:00.327331 Performance: 24.738 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 11:50:18,671 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 89.515 -19356 9811 -29167 -29167 1.8776 0.50292 -0.88037 1.7445e+05 2024-05-17 11:50:53,989 INFO [main.py:798]
{rank 0/64} MD step = 87000 step time: 00:00:00.339061 Performance: 24.733 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 11:51:21,032 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 87.756 -19379 9618.1 -28997 -28997 1.8784 0.5023 -0.882 1.7465e+05 2024-05-17 11:51:58,954 INFO [main.py:798]
{rank 0/64} MD step = 87100 step time: 00:00:00.371063 Performance: 24.735 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 11:52:25,646 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 90.274 -19106 9894.2 -29000 -29000 1.8771 0.50289 -0.88266 1.7489e+05 2024-05-17 11:53:07,140 INFO [main.py:798]
{rank 0/64} MD step = 87200 step time: 00:00:00.341565 Performance: 24.736 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 11:53:32,001 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 89.262 -19259 9783.2 -29042 -29042 1.879 0.50327 -0.88529 1.7506e+05 2024-05-17 11:54:08,888 INFO [main.py:798]
{rank 0/64} MD step = 87300 step time: 00:00:00.353332 Performance: 24.739 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 11:54:26,915 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 87.805 -19441 9623.5 -29065 -29065 1.8808 0.50167 -0.88751 1.7527e+05 2024-05-17 11:55:02,670 INFO [main.py:798]
{rank 0/64} MD step = 87400 step time: 00:00:00.341983 Performance: 24.746 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 11:55:23,162 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 90.039 -19124 9868.4 -28993 -28993 1.8811 0.50179 -0.88828 1.7549e+05 2024-05-17 11:55:57,529 INFO [main.py:798]
{rank 0/64} MD step = 87500 step time: 00:00:00.353416 Performance: 24.752 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 11:56:35,258 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 89.325 -19180 9790.2 -28970 -28970 1.8826 0.50138 -0.88886 1.7572e+05 2024-05-17 11:57:11,054 INFO [main.py:798]
{rank 0/64} MD step = 87600 step time: 00:00:00.334322 Performance: 24.750 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 11:57:52,865 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 90.281 -19007 9894.9 -28902 -28902 1.8818 0.50281 -0.89015 1.7591e+05 2024-05-17 11:58:32,408 INFO [main.py:798]
{rank 0/64} MD step = 87700 step time: 00:00:00.374225 Performance: 24.745 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 11:58:50,386 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 88.749 -19240 9727 -28967 -28967 1.8835 0.50151 -0.89296 1.761e+05 2024-05-17 11:59:35,254 INFO [main.py:798]
{rank 0/64} MD step = 87800 step time: 00:00:00.352488 Performance: 24.748 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 11:59:56,958 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 89.523 -19318 9811.8 -29130 -29130 1.8833 0.50205 -0.89437 1.7629e+05 2024-05-17 12:00:31,934 INFO [main.py:798]
{rank 0/64} MD step = 87900 step time: 00:00:00.355644 Performance: 24.754 ns/day 0.970 hours/ns 1.433 steps/s 2024-05-17 12:00:48,915 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 89.96 -19310 9859.7 -29170 -29170 1.8853 0.50258 -0.8946 1.765e+05 2024-05-17 12:01:23,508 INFO [main.py:798]
{rank 0/64} MD step = 88000 step time: 00:00:00.334287 Performance: 24.761 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:02:05,856 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 88.838 -19267 9736.8 -29003 -29003 1.8848 0.50315 -0.89689 1.7669e+05 2024-05-17 12:02:41,965 INFO [main.py:798]
{rank 0/64} MD step = 88100 step time: 00:00:00.332359 Performance: 24.757 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:03:05,133 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 89.216 -19124 9778.2 -28902 -28902 1.8857 0.50437 -0.89784 1.7688e+05 2024-05-17 12:03:40,766 INFO [main.py:798]
{rank 0/64} MD step = 88200 step time: 00:00:00.354210 Performance: 24.762 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:04:22,754 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 89.43 -19541 9801.6 -29342 -29342 1.8861 0.50601 -0.89971 1.7703e+05 2024-05-17 12:04:58,249 INFO [main.py:798]
{rank 0/64} MD step = 88300 step time: 00:00:00.340131 Performance: 24.759 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:05:19,106 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 89.816 -19155 9844 -28999 -28999 1.8873 0.50579 -0.90178 1.7728e+05 2024-05-17 12:06:05,129 INFO [main.py:798]
{rank 0/64} MD step = 88400 step time: 00:00:00.357685 Performance: 24.760 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:06:15,475 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 89.732 -19199 9834.8 -29034 -29034 1.8893 0.50487 -0.90375 1.7746e+05 2024-05-17 12:06:50,027 INFO [main.py:798]
{rank 0/64} MD step = 88500 step time: 00:00:00.328028 Performance: 24.770 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:07:22,527 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 88.808 -19418 9733.5 -29151 -29151 1.8908 0.50548 -0.90597 1.7766e+05 2024-05-17 12:07:59,294 INFO [main.py:798]
{rank 0/64} MD step = 88600 step time: 00:00:00.353405 Performance: 24.770 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:08:25,152 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 90.562 -19110 9925.7 -29036 -29036 1.8927 0.50612 -0.90462 1.7789e+05 2024-05-17 12:09:01,007 INFO [main.py:798]
{rank 0/64} MD step = 88700 step time: 00:00:00.361494 Performance: 24.773 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:09:23,476 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 88.894 -19313 9742.8 -29056 -29056 1.8919 0.50726 -0.90716 1.781e+05 2024-05-17 12:09:59,197 INFO [main.py:798]
{rank 0/64} MD step = 88800 step time: 00:00:00.339578 Performance: 24.778 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:10:46,591 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 90.07 -19371 9871.8 -29242 -29242 1.8928 0.50637 -0.90549 1.7823e+05 2024-05-17 12:11:20,905 INFO [main.py:798]
{rank 0/64} MD step = 88900 step time: 00:00:00.354606 Performance: 24.773 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:12:25,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88900 17780 92.068 -18982 10091 -29073 -29073 1.8948 0.50576 -0.90508 1.7845e+05 2024-05-17 12:13:00,039 INFO [main.py:798]
{rank 0/64} MD step = 89000 step time: 00:00:00.335621 Performance: 24.761 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:13:21,499 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 89.224 -19304 9779 -29083 -29083 1.895 0.5058 -0.90538 1.7865e+05 2024-05-17 12:13:55,916 INFO [main.py:798]
{rank 0/64} MD step = 89100 step time: 00:00:00.346387 Performance: 24.767 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:14:20,723 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 90.187 -19179 9884.6 -29064 -29064 1.8955 0.50401 -0.90625 1.7885e+05 2024-05-17 12:14:55,620 INFO [main.py:798]
{rank 0/64} MD step = 89200 step time: 00:00:00.368882 Performance: 24.771 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:15:07,293 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 90.572 -19191 9926.8 -29118 -29118 1.8962 0.5054 -0.90664 1.7903e+05 2024-05-17 12:15:42,232 INFO [main.py:798]
{rank 0/64} MD step = 89300 step time: 00:00:00.334451 Performance: 24.780 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:16:13,991 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 91.129 -19105 9987.9 -29093 -29093 1.8977 0.50648 -0.90891 1.7923e+05 2024-05-17 12:16:48,493 INFO [main.py:798]
{rank 0/64} MD step = 89400 step time: 00:00:00.352268 Performance: 24.782 ns/day 0.968 hours/ns 1.434 steps/s 2024-05-17 12:17:02,568 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 90.015 -19460 9865.8 -29326 -29326 1.9011 0.5065 -0.90855 1.7942e+05 2024-05-17 12:17:39,274 INFO [main.py:798]
{rank 0/64} MD step = 89500 step time: 00:00:00.381680 Performance: 24.789 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:18:01,247 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 90.115 -19145 9876.7 -29022 -29022 1.902 0.50374 -0.90898 1.7963e+05 2024-05-17 12:19:09,339 INFO [main.py:798]
{rank 0/64} MD step = 89600 step time: 00:00:00.329729 Performance: 24.781 ns/day 0.968 hours/ns 1.434 steps/s 2024-05-17 12:19:18,897 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 89.681 -19296 9829.1 -29125 -29125 1.9035 0.50418 -0.90702 1.7984e+05 2024-05-17 12:19:55,055 INFO [main.py:798]
{rank 0/64} MD step = 89700 step time: 00:00:00.349845 Performance: 24.791 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:20:46,028 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 89.92 -19133 9855.4 -28989 -28989 1.9052 0.5033 -0.90679 1.8005e+05 2024-05-17 12:21:22,513 INFO [main.py:798]
{rank 0/64} MD step = 89800 step time: 00:00:00.376823 Performance: 24.784 ns/day 0.968 hours/ns 1.434 steps/s 2024-05-17 12:22:06,738 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 89.837 -18859 9846.2 -28705 -28705 1.9063 0.50311 -0.90877 1.8028e+05 2024-05-17 12:22:46,886 INFO [main.py:798]
{rank 0/64} MD step = 89900 step time: 00:00:00.371700 Performance: 24.778 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:23:23,921 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 90.07 -19025 9871.7 -28897 -28897 1.9064 0.50445 -0.9078 1.8044e+05 2024-05-17 12:24:01,848 INFO [main.py:798]
{rank 0/64} MD step = 90000 step time: 00:00:00.360515 Performance: 24.776 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:24:10,500 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 89.531 -19259 9812.7 -29072 -29072 1.9067 0.50599 -0.90796 1.8062e+05 2024-05-17 12:24:47,237 INFO [main.py:798]
{rank 0/64} MD step = 90100 step time: 00:00:00.357762 Performance: 24.785 ns/day 0.968 hours/ns 1.434 steps/s 2024-05-17 12:25:03,183 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 89.505 -19058 9809.8 -28868 -28868 1.9091 0.50513 -0.90632 1.8086e+05 2024-05-17 12:25:38,341 INFO [main.py:798]
{rank 0/64} MD step = 90200 step time: 00:00:00.332922 Performance: 24.793 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:25:44,858 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 90.218 -18961 9888 -28849 -28849 1.9106 0.5062 -0.90652 1.8107e+05 2024-05-17 12:26:27,283 INFO [main.py:798]
{rank 0/64} MD step = 90300 step time: 00:00:00.356664 Performance: 24.801 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:26:58,495 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 89.348 -19165 9792.6 -28958 -28958 1.9127 0.5054 -0.90702 1.8123e+05 2024-05-17 12:27:32,891 INFO [main.py:798]
{rank 0/64} MD step = 90400 step time: 00:00:00.352673 Performance: 24.802 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:28:01,940 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 89.8 -18931 9842.2 -28774 -28774 1.9145 0.50613 -0.90876 1.8148e+05 2024-05-17 12:28:36,204 INFO [main.py:798]
{rank 0/64} MD step = 90500 step time: 00:00:00.338574 Performance: 24.805 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:28:45,844 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 91.353 -18730 10012 -28743 -28743 1.9161 0.50706 -0.91026 1.8164e+05 2024-05-17 12:29:20,917 INFO [main.py:798]
{rank 0/64} MD step = 90600 step time: 00:00:00.347852 Performance: 24.815 ns/day 0.967 hours/ns 1.436 steps/s 2024-05-17 12:29:31,528 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 90.523 -18861 9921.4 -28783 -28783 1.9183 0.50677 -0.91169 1.8185e+05 2024-05-17 12:30:06,331 INFO [main.py:798]
{rank 0/64} MD step = 90700 step time: 00:00:00.350077 Performance: 24.824 ns/day 0.967 hours/ns 1.437 steps/s 2024-05-17 12:30:31,827 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 90.205 -19085 9886.6 -28971 -28971 1.9201 0.50529 -0.91219 1.8203e+05 2024-05-17 12:31:13,459 INFO [main.py:798]
{rank 0/64} MD step = 90800 step time: 00:00:00.333293 Performance: 24.825 ns/day 0.967 hours/ns 1.437 steps/s 2024-05-17 12:32:38,219 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 89.548 -19094 9814.6 -28908 -28908 1.9213 0.5054 -0.91076 1.8225e+05 2024-05-17 12:33:13,171 INFO [main.py:798]
{rank 0/64} MD step = 90900 step time: 00:00:00.327965 Performance: 24.806 ns/day 0.968 hours/ns 1.436 steps/s 2024-05-17 12:33:58,937 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 90.782 -18792 9949.8 -28742 -28742 1.9209 0.5051 -0.91097 1.8246e+05 2024-05-17 12:34:34,101 INFO [main.py:798]
{rank 0/64} MD step = 91000 step time: 00:00:00.362574 Performance: 24.801 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:35:19,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91000 18200 90.077 -18889 9872.5 -28762 -28762 1.9221 0.50554 -0.91251 1.8267e+05 2024-05-17 12:35:56,062 INFO [main.py:798]
{rank 0/64} MD step = 91100 step time: 00:00:00.327326 Performance: 24.796 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:36:18,050 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 90.526 -18993 9921.7 -28914 -28914 1.9253 0.50471 -0.91403 1.8285e+05 2024-05-17 12:36:53,095 INFO [main.py:798]
{rank 0/64} MD step = 91200 step time: 00:00:00.349611 Performance: 24.801 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:37:20,509 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 89.533 -18973 9812.9 -28786 -28786 1.927 0.50407 -0.9143 1.8311e+05 2024-05-17 12:37:59,571 INFO [main.py:798]
{rank 0/64} MD step = 91300 step time: 00:00:00.328651 Performance: 24.803 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 12:38:17,531 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 90.762 -19025 9947.7 -28973 -28973 1.9302 0.50495 -0.91449 1.8329e+05 2024-05-17 12:38:53,589 INFO [main.py:798]
{rank 0/64} MD step = 91400 step time: 00:00:00.374159 Performance: 24.809 ns/day 0.967 hours/ns 1.436 steps/s 2024-05-17 12:39:13,048 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 89.022 -19124 9756.9 -28881 -28881 1.9306 0.50602 -0.91512 1.8351e+05 2024-05-17 12:39:46,381 INFO [main.py:798]
{rank 0/64} MD step = 91500 step time: 00:00:00.349785 Performance: 24.815 ns/day 0.967 hours/ns 1.436 steps/s 2024-05-17 12:41:01,416 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 90.393 -19088 9907.2 -28996 -28996 1.932 0.505 -0.91849 1.8371e+05 2024-05-17 12:42:08,097 INFO [main.py:798]
{rank 0/64} MD step = 91600 step time: 00:00:00.348933 Performance: 24.787 ns/day 0.968 hours/ns 1.434 steps/s 2024-05-17 12:43:29,238 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 90.146 -19167 9880.1 -29047 -29047 1.933 0.50311 -0.92051 1.8393e+05 2024-05-17 12:44:04,238 INFO [main.py:798]
{rank 0/64} MD step = 91700 step time: 00:00:00.369999 Performance: 24.769 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:45:14,206 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 89.963 -19089 9860.1 -28949 -28949 1.9353 0.50369 -0.92156 1.8414e+05 2024-05-17 12:45:56,742 INFO [main.py:798]
{rank 0/64} MD step = 91800 step time: 00:00:00.370724 Performance: 24.753 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 12:46:19,324 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 89.643 -19024 9825 -28849 -28849 1.935 0.50359 -0.92228 1.8436e+05 2024-05-17 12:46:53,924 INFO [main.py:798]
{rank 0/64} MD step = 91900 step time: 00:00:00.355841 Performance: 24.758 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:47:14,199 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 90.671 -18945 9937.7 -28882 -28882 1.935 0.50193 -0.92309 1.8456e+05 2024-05-17 12:47:48,596 INFO [main.py:798]
{rank 0/64} MD step = 92000 step time: 00:00:00.333920 Performance: 24.763 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 12:47:59,085 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 91.2 -18950 9995.6 -28946 -28946 1.9361 0.49941 -0.92468 1.8476e+05 2024-05-17 12:48:33,738 INFO [main.py:798]
{rank 0/64} MD step = 92100 step time: 00:00:00.352109 Performance: 24.773 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:48:48,397 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 90.215 -19060 9887.7 -28948 -28948 1.9371 0.4995 -0.92623 1.8497e+05 2024-05-17 12:49:23,612 INFO [main.py:798]
{rank 0/64} MD step = 92200 step time: 00:00:00.342505 Performance: 24.781 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:50:11,862 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 89.4 -19336 9798.4 -29135 -29135 1.9385 0.49772 -0.92733 1.8518e+05 2024-05-17 12:50:46,460 INFO [main.py:798]
{rank 0/64} MD step = 92300 step time: 00:00:00.333919 Performance: 24.776 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 12:53:03,508 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 89.929 -19295 9856.3 -29151 -29151 1.9414 0.49723 -0.93026 1.8538e+05 2024-05-17 12:53:38,982 INFO [main.py:798]
{rank 0/64} MD step = 92400 step time: 00:00:00.383356 Performance: 24.736 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 12:54:13,069 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 89.545 -19223 9814.3 -29037 -29037 1.9433 0.49709 -0.93021 1.856e+05 2024-05-17 12:54:48,457 INFO [main.py:798]
{rank 0/64} MD step = 92500 step time: 00:00:00.357169 Performance: 24.736 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 12:55:50,971 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 91.416 -18951 10019 -28970 -28970 1.9438 0.49674 -0.93213 1.8579e+05 2024-05-17 12:56:28,079 INFO [main.py:798]
{rank 0/64} MD step = 92600 step time: 00:00:00.353586 Performance: 24.725 ns/day 0.971 hours/ns 1.431 steps/s 2024-05-17 12:56:45,710 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 91.859 -18794 10068 -28862 -28862 1.9439 0.4965 -0.93219 1.8597e+05 2024-05-17 12:57:20,218 INFO [main.py:798]
{rank 0/64} MD step = 92700 step time: 00:00:00.352046 Performance: 24.732 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 12:57:48,134 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 90.353 -18954 9902.8 -28857 -28857 1.9451 0.49549 -0.93278 1.8616e+05 2024-05-17 12:58:23,055 INFO [main.py:798]
{rank 0/64} MD step = 92800 step time: 00:00:00.348548 Performance: 24.734 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 12:58:39,906 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 90.21 -18960 9887.1 -28847 -28847 1.9467 0.49666 -0.93413 1.8635e+05 2024-05-17 12:59:14,445 INFO [main.py:798]
{rank 0/64} MD step = 92900 step time: 00:00:00.348491 Performance: 24.741 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 12:59:44,569 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 89.338 -19112 9791.6 -28903 -28903 1.9486 0.49639 -0.93567 1.8656e+05 2024-05-17 13:00:20,616 INFO [main.py:798]
{rank 0/64} MD step = 93000 step time: 00:00:00.355201 Performance: 24.743 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 13:00:35,986 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 89.624 -19068 9822.9 -28891 -28891 1.948 0.49664 -0.93773 1.8673e+05 2024-05-17 13:01:10,877 INFO [main.py:798]
{rank 0/64} MD step = 93100 step time: 00:00:00.353963 Performance: 24.750 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 13:01:24,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93100 18620 91.063 -19087 9980.7 -29068 -29068 1.9501 0.4957 -0.93811 1.8693e+05 2024-05-17 13:01:58,864 INFO [main.py:798]
{rank 0/64} MD step = 93200 step time: 00:00:00.335219 Performance: 24.759 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 13:03:45,963 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 89.837 -18934 9846.2 -28780 -28780 1.9505 0.49468 -0.93948 1.8722e+05 2024-05-17 13:04:20,127 INFO [main.py:798]
{rank 0/64} MD step = 93300 step time: 00:00:00.340165 Performance: 24.731 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 13:05:04,019 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 89.992 -19111 9863.2 -28974 -28974 1.9519 0.4957 -0.94131 1.8736e+05 2024-05-17 13:05:48,671 INFO [main.py:798]
{rank 0/64} MD step = 93400 step time: 00:00:00.350309 Performance: 24.724 ns/day 0.971 hours/ns 1.431 steps/s 2024-05-17 13:06:04,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93400 18680 89.477 -19130 9806.8 -28937 -28937 1.9522 0.49372 -0.94148 1.8758e+05 2024-05-17 13:07:14,476 INFO [main.py:798]
{rank 0/64} MD step = 93500 step time: 00:00:00.347158 Performance: 24.718 ns/day 0.971 hours/ns 1.430 steps/s 2024-05-17 13:07:33,836 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 90.99 -18995 9972.6 -28968 -28968 1.9536 0.49377 -0.94276 1.8775e+05 2024-05-17 13:08:10,986 INFO [main.py:798]
{rank 0/64} MD step = 93600 step time: 00:00:00.374951 Performance: 24.723 ns/day 0.971 hours/ns 1.431 steps/s 2024-05-17 13:08:24,474 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 90.171 -18962 9882.9 -28844 -28844 1.9563 0.49401 -0.94273 1.8799e+05 2024-05-17 13:08:59,015 INFO [main.py:798]
{rank 0/64} MD step = 93700 step time: 00:00:00.335285 Performance: 24.732 ns/day 0.970 hours/ns 1.431 steps/s 2024-05-17 13:09:20,272 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 89.892 -19157 9852.3 -29009 -29009 1.9591 0.49298 -0.94335 1.8815e+05 2024-05-17 13:09:54,611 INFO [main.py:798]
{rank 0/64} MD step = 93800 step time: 00:00:00.346072 Performance: 24.737 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 13:10:13,501 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 90.462 -18799 9914.8 -28713 -28713 1.9603 0.49226 -0.94532 1.8836e+05 2024-05-17 13:10:49,950 INFO [main.py:798]
{rank 0/64} MD step = 93900 step time: 00:00:00.384776 Performance: 24.742 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 13:10:56,126 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 91.036 -18796 9977.7 -28774 -28774 1.9619 0.49111 -0.94654 1.8856e+05 2024-05-17 13:11:30,818 INFO [main.py:798]
{rank 0/64} MD step = 94000 step time: 00:00:00.353583 Performance: 24.753 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 13:11:50,431 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 88.707 -19337 9722.4 -29059 -29059 1.9637 0.49083 -0.94727 1.8877e+05 2024-05-17 13:12:24,799 INFO [main.py:798]
{rank 0/64} MD step = 94100 step time: 00:00:00.357339 Performance: 24.759 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 13:13:04,795 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 90.678 -19021 9938.4 -28960 -28960 1.9636 0.4904 -0.94836 1.8897e+05 2024-05-17 13:13:42,935 INFO [main.py:798]
{rank 0/64} MD step = 94200 step time: 00:00:00.359698 Performance: 24.756 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 13:13:54,853 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 89.82 -19066 9844.4 -28911 -28911 1.9647 0.49081 -0.95022 1.8917e+05 2024-05-17 13:14:29,468 INFO [main.py:798]
{rank 0/64} MD step = 94300 step time: 00:00:00.357617 Performance: 24.765 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 13:15:28,488 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 90.042 -18897 9868.7 -28765 -28765 1.966 0.49181 -0.9515 1.8939e+05 2024-05-17 13:16:08,821 INFO [main.py:798]
{rank 0/64} MD step = 94400 step time: 00:00:00.355762 Performance: 24.754 ns/day 0.970 hours/ns 1.433 steps/s 2024-05-17 13:17:10,914 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 90.801 -18738 9951.8 -28690 -28690 1.966 0.49045 -0.95381 1.8958e+05 2024-05-17 13:17:45,956 INFO [main.py:798]
{rank 0/64} MD step = 94500 step time: 00:00:00.351648 Performance: 24.744 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 13:18:05,617 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 88.185 -19196 9665.2 -28861 -28861 1.9677 0.4897 -0.9543 1.8979e+05 2024-05-17 13:18:46,518 INFO [main.py:798]
{rank 0/64} MD step = 94600 step time: 00:00:00.358201 Performance: 24.747 ns/day 0.970 hours/ns 1.432 steps/s 2024-05-17 13:18:58,946 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 88.818 -19204 9734.5 -28939 -28939 1.9707 0.48709 -0.95657 1.8998e+05 2024-05-17 13:19:34,600 INFO [main.py:798]
{rank 0/64} MD step = 94700 step time: 00:00:00.382149 Performance: 24.755 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 13:19:41,814 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 89.598 -19011 9820 -28831 -28831 1.9731 0.48768 -0.95969 1.9018e+05 2024-05-17 13:20:16,560 INFO [main.py:798]
{rank 0/64} MD step = 94800 step time: 00:00:00.367869 Performance: 24.766 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 13:20:36,680 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 88.93 -18987 9746.9 -28734 -28734 1.9744 0.48653 -0.96196 1.904e+05 2024-05-17 13:21:11,574 INFO [main.py:798]
{rank 0/64} MD step = 94900 step time: 00:00:00.348095 Performance: 24.771 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 13:22:00,720 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 89.438 -19002 9802.5 -28805 -28805 1.9745 0.48577 -0.96314 1.906e+05 2024-05-17 13:22:35,732 INFO [main.py:798]
{rank 0/64} MD step = 95000 step time: 00:00:00.335037 Performance: 24.766 ns/day 0.969 hours/ns 1.433 steps/s 2024-05-17 13:22:52,429 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 89.27 -19113 9784.1 -28897 -28897 1.9787 0.48582 -0.96316 1.9081e+05 2024-05-17 13:23:27,032 INFO [main.py:798]
{rank 0/64} MD step = 95100 step time: 00:00:00.350090 Performance: 24.773 ns/day 0.969 hours/ns 1.434 steps/s 2024-05-17 13:23:38,503 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 89.205 -18849 9777 -28626 -28626 1.9807 0.48494 -0.9643 1.9102e+05 2024-05-17 13:24:13,393 INFO [main.py:798]
{rank 0/64} MD step = 95200 step time: 00:00:00.354290 Performance: 24.781 ns/day 0.968 hours/ns 1.434 steps/s 2024-05-17 13:24:27,580 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 90.631 -18850 9933.3 -28783 -28783 1.9816 0.48624 -0.96461 1.9123e+05 2024-05-17 13:25:02,175 INFO [main.py:798]
{rank 0/64} MD step = 95300 step time: 00:00:00.354566 Performance: 24.789 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 13:25:25,677 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 88.983 -19269 9752.7 -29022 -29022 1.9831 0.48919 -0.96634 1.9143e+05 2024-05-17 13:26:00,169 INFO [main.py:798]
{rank 0/64} MD step = 95400 step time: 00:00:00.348564 Performance: 24.794 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 13:26:18,612 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 89.427 -19138 9801.4 -28939 -28939 1.9852 0.48982 -0.96739 1.9165e+05 2024-05-17 13:27:00,116 INFO [main.py:798]
{rank 0/64} MD step = 95500 step time: 00:00:00.374430 Performance: 24.797 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 13:27:33,435 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 89.598 -18977 9820.1 -28797 -28797 1.9873 0.49087 -0.96835 1.9183e+05 2024-05-17 13:28:08,123 INFO [main.py:798]
{rank 0/64} MD step = 95600 step time: 00:00:00.354701 Performance: 24.798 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 13:28:49,178 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 90.181 -18966 9883.9 -28850 -28850 1.9892 0.49153 -0.96866 1.9206e+05 2024-05-17 13:29:24,666 INFO [main.py:798]
{rank 0/64} MD step = 95700 step time: 00:00:00.345180 Performance: 24.795 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 13:29:52,553 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 90.327 -19021 9899.9 -28921 -28921 1.9921 0.49271 -0.96876 1.9223e+05 2024-05-17 13:30:27,580 INFO [main.py:798]
{rank 0/64} MD step = 95800 step time: 00:00:00.357357 Performance: 24.798 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 13:30:53,581 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 89.533 -18970 9813 -28783 -28783 1.9939 0.49431 -0.97072 1.9246e+05 2024-05-17 13:31:28,524 INFO [main.py:798]
{rank 0/64} MD step = 95900 step time: 00:00:00.353077 Performance: 24.801 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 13:31:57,747 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 89.455 -19404 9804.4 -29208 -29208 1.9954 0.49359 -0.97297 1.9259e+05 2024-05-17 13:32:32,839 INFO [main.py:798]
{rank 0/64} MD step = 96000 step time: 00:00:00.333293 Performance: 24.803 ns/day 0.968 hours/ns 1.435 steps/s 2024-05-17 13:32:45,916 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 89.02 -19322 9756.7 -29079 -29079 1.996 0.49508 -0.97572 1.9281e+05 2024-05-17 13:33:21,225 INFO [main.py:798]
{rank 0/64} MD step = 96100 step time: 00:00:00.332662 Performance: 24.811 ns/day 0.967 hours/ns 1.436 steps/s 2024-05-17 13:33:44,608 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 91.048 -18975 9978.9 -28954 -28954 1.9971 0.49487 -0.97762 1.9303e+05 2024-05-17 13:34:19,267 INFO [main.py:798]
{rank 0/64} MD step = 96200 step time: 00:00:00.353446 Performance: 24.815 ns/day 0.967 hours/ns 1.436 steps/s 2024-05-17 13:34:26,648 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 90.448 -19097 9913.2 -29010 -29010 1.9997 0.49685 -0.97916 1.9326e+05 2024-05-17 13:35:01,589 INFO [main.py:798]
{rank 0/64} MD step = 96300 step time: 00:00:00.379241 Performance: 24.825 ns/day 0.967 hours/ns 1.437 steps/s 2024-05-17 13:35:14,628 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 90.335 -18872 9900.8 -28772 -28772 2.0018 0.49717 -0.98021 1.935e+05 2024-05-17 13:35:49,252 INFO [main.py:798]
{rank 0/64} MD step = 96400 step time: 00:00:00.342249 Performance: 24.833 ns/day 0.966 hours/ns 1.437 steps/s 2024-05-17 13:35:59,522 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 89.928 -19067 9856.2 -28923 -28923 2.004 0.49679 -0.98223 1.9365e+05 2024-05-17 13:36:45,377 INFO [main.py:798]
{rank 0/64} MD step = 96500 step time: 00:00:00.352252 Performance: 24.838 ns/day 0.966 hours/ns 1.437 steps/s 2024-05-17 13:36:55,672 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 90.754 -18800 9946.7 -28746 -28746 2.0061 0.49751 -0.98185 1.9386e+05 2024-05-17 13:37:39,932 INFO [main.py:798]
{rank 0/64} MD step = 96600 step time: 00:00:00.382611 Performance: 24.844 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:37:45,630 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 90.382 -18839 9906 -28745 -28745 2.01 0.49824 -0.98182 1.9403e+05 2024-05-17 13:38:20,032 INFO [main.py:798]
{rank 0/64} MD step = 96700 step time: 00:00:00.360800 Performance: 24.855 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:38:34,501 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 91.167 -18930 9992 -28922 -28922 2.0104 0.49652 -0.98175 1.9417e+05 2024-05-17 13:39:15,102 INFO [main.py:798]
{rank 0/64} MD step = 96800 step time: 00:00:00.378342 Performance: 24.860 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 13:40:25,398 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 89.383 -19239 9796.5 -29036 -29036 2.0132 0.49734 -0.98347 1.9437e+05 2024-05-17 13:41:00,747 INFO [main.py:798]
{rank 0/64} MD step = 96900 step time: 00:00:00.360950 Performance: 24.847 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:41:19,668 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 90.248 -19039 9891.3 -28930 -28930 2.0166 0.49694 -0.98367 1.9461e+05 2024-05-17 13:41:54,233 INFO [main.py:798]
{rank 0/64} MD step = 97000 step time: 00:00:00.354884 Performance: 24.853 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:42:16,639 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 91.182 -18860 9993.6 -28854 -28854 2.0203 0.49673 -0.9851 1.9482e+05 2024-05-17 13:42:55,778 INFO [main.py:798]
{rank 0/64} MD step = 97100 step time: 00:00:00.364303 Performance: 24.856 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:43:07,770 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 90.642 -19099 9934.5 -29034 -29034 2.021 0.49654 -0.98592 1.9503e+05 2024-05-17 13:43:43,000 INFO [main.py:798]
{rank 0/64} MD step = 97200 step time: 00:00:00.380365 Performance: 24.864 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 13:44:01,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97200 19440 88.919 -19220 9745.6 -28966 -28966 2.0218 0.49767 -0.98794 1.9525e+05 2024-05-17 13:44:35,252 INFO [main.py:798]
{rank 0/64} MD step = 97300 step time: 00:00:00.345456 Performance: 24.870 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 13:45:32,661 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 89.002 -19292 9754.7 -29047 -29047 2.023 0.49889 -0.98939 1.954e+05 2024-05-17 13:46:08,441 INFO [main.py:798]
{rank 0/64} MD step = 97400 step time: 00:00:00.378517 Performance: 24.862 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 13:47:08,836 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 89.52 -19291 9811.5 -29102 -29102 2.0239 0.49763 -0.99149 1.9565e+05 2024-05-17 13:47:43,977 INFO [main.py:798]
{rank 0/64} MD step = 97500 step time: 00:00:00.330260 Performance: 24.852 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:47:51,999 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 89.453 -19182 9804.1 -28986 -28986 2.0275 0.49644 -0.99307 1.9588e+05 2024-05-17 13:48:26,716 INFO [main.py:798]
{rank 0/64} MD step = 97600 step time: 00:00:00.338268 Performance: 24.862 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 13:48:57,438 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 90.61 -18991 9930.9 -28922 -28922 2.0276 0.49645 -0.99651 1.9607e+05 2024-05-17 13:49:33,027 INFO [main.py:798]
{rank 0/64} MD step = 97700 step time: 00:00:00.378376 Performance: 24.863 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 13:49:44,448 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 89.596 -18982 9819.8 -28802 -28802 2.0284 0.49877 -0.99712 1.9633e+05 2024-05-17 13:51:33,664 INFO [main.py:798]
{rank 0/64} MD step = 97800 step time: 00:00:00.343008 Performance: 24.844 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:52:07,559 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 90.431 -18827 9911.3 -28738 -28738 2.0281 0.49973 -0.99732 1.9651e+05 2024-05-17 13:52:43,275 INFO [main.py:798]
{rank 0/64} MD step = 97900 step time: 00:00:00.378026 Performance: 24.844 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:53:02,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97900 19580 90.486 -18908 9917.4 -28825 -28825 2.0303 0.49755 -0.9988 1.9671e+05 2024-05-17 13:53:37,592 INFO [main.py:798]
{rank 0/64} MD step = 98000 step time: 00:00:00.356616 Performance: 24.850 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:55:17,401 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 90.047 -18981 9869.3 -28850 -28850 2.0321 0.49618 -0.99863 1.9684e+05 2024-05-17 13:55:52,225 INFO [main.py:798]
{rank 0/64} MD step = 98100 step time: 00:00:00.353499 Performance: 24.826 ns/day 0.967 hours/ns 1.437 steps/s 2024-05-17 13:56:05,398 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 89.981 -18944 9862.1 -28806 -28806 2.0344 0.49603 -0.99872 1.9704e+05 2024-05-17 13:56:39,761 INFO [main.py:798]
{rank 0/64} MD step = 98200 step time: 00:00:00.345971 Performance: 24.834 ns/day 0.966 hours/ns 1.437 steps/s 2024-05-17 13:56:52,331 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 91.278 -18813 10004 -28817 -28817 2.0365 0.49565 -0.99842 1.9723e+05 2024-05-17 13:57:26,953 INFO [main.py:798]
{rank 0/64} MD step = 98300 step time: 00:00:00.359977 Performance: 24.842 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:57:36,354 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 90.575 -18953 9927.1 -28880 -28880 2.0384 0.49563 -0.9991 1.9743e+05 2024-05-17 13:58:12,805 INFO [main.py:798]
{rank 0/64} MD step = 98400 step time: 00:00:00.344783 Performance: 24.851 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 13:58:23,433 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 89.874 -18927 9850.4 -28778 -28778 2.0401 0.49687 -1.0008 1.9766e+05 2024-05-17 13:58:57,920 INFO [main.py:798]
{rank 0/64} MD step = 98500 step time: 00:00:00.365385 Performance: 24.860 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 13:59:05,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98500 19700 90.584 -19008 9928.2 -28936 -28936 2.0428 0.49751 -1.0026 1.9784e+05 2024-05-17 13:59:41,041 INFO [main.py:798]
{rank 0/64} MD step = 98600 step time: 00:00:00.374256 Performance: 24.869 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 13:59:53,072 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 90.545 -18991 9923.8 -28915 -28915 2.0452 0.4985 -1.0047 1.9805e+05 2024-05-17 14:00:27,977 INFO [main.py:798]
{rank 0/64} MD step = 98700 step time: 00:00:00.350733 Performance: 24.878 ns/day 0.965 hours/ns 1.440 steps/s 2024-05-17 14:00:45,871 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 90.209 -18971 9887.1 -28858 -28858 2.0482 0.49984 -1.0056 1.9825e+05 2024-05-17 14:01:20,134 INFO [main.py:798]
{rank 0/64} MD step = 98800 step time: 00:00:00.356139 Performance: 24.884 ns/day 0.964 hours/ns 1.440 steps/s 2024-05-17 14:01:49,543 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 90.425 -19118 9910.7 -29028 -29028 2.0511 0.50049 -1.0058 1.9845e+05 2024-05-17 14:02:24,146 INFO [main.py:798]
{rank 0/64} MD step = 98900 step time: 00:00:00.351761 Performance: 24.886 ns/day 0.964 hours/ns 1.440 steps/s 2024-05-17 14:03:44,933 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 89.352 -19287 9793.1 -29080 -29080 2.0537 0.50208 -1.0069 1.9866e+05 2024-05-17 14:04:32,506 INFO [main.py:798]
{rank 0/64} MD step = 99000 step time: 00:00:00.374959 Performance: 24.864 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 14:06:02,763 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 89.327 -18959 9790.3 -28749 -28749 2.0574 0.5029 -1.0066 1.9892e+05 2024-05-17 14:06:40,377 INFO [main.py:798]
{rank 0/64} MD step = 99100 step time: 00:00:00.378664 Performance: 24.843 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:07:16,872 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 89.741 -19010 9835.8 -28845 -28845 2.0581 0.50234 -1.0076 1.9909e+05 2024-05-17 14:07:53,852 INFO [main.py:798]
{rank 0/64} MD step = 99200 step time: 00:00:00.343122 Performance: 24.842 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:08:19,587 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 90.447 -18844 9913.1 -28757 -28757 2.0604 0.50075 -1.0086 1.9928e+05 2024-05-17 14:09:05,474 INFO [main.py:798]
{rank 0/64} MD step = 99300 step time: 00:00:00.371857 Performance: 24.841 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:09:50,172 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 88.851 -19146 9738.2 -28885 -28885 2.0618 0.50062 -1.0106 1.9952e+05 2024-05-17 14:10:28,197 INFO [main.py:798]
{rank 0/64} MD step = 99400 step time: 00:00:00.354523 Performance: 24.837 ns/day 0.966 hours/ns 1.437 steps/s 2024-05-17 14:11:00,933 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 91.188 -18891 9994.4 -28886 -28886 2.0627 0.50102 -1.0104 1.9971e+05 2024-05-17 14:11:35,626 INFO [main.py:798]
{rank 0/64} MD step = 99500 step time: 00:00:00.333796 Performance: 24.837 ns/day 0.966 hours/ns 1.437 steps/s 2024-05-17 14:12:23,898 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 89.868 -19018 9849.7 -28868 -28868 2.0641 0.50209 -1.0125 1.9991e+05 2024-05-17 14:13:03,010 INFO [main.py:798]
{rank 0/64} MD step = 99600 step time: 00:00:00.380469 Performance: 24.831 ns/day 0.967 hours/ns 1.437 steps/s 2024-05-17 14:13:21,201 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 91.467 -18708 10025 -28733 -28733 2.0656 0.50235 -1.0146 2.0011e+05 2024-05-17 14:13:57,064 INFO [main.py:798]
{rank 0/64} MD step = 99700 step time: 00:00:00.349232 Performance: 24.836 ns/day 0.966 hours/ns 1.437 steps/s 2024-05-17 14:14:07,875 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 89.322 -18878 9789.8 -28668 -28668 2.0676 0.503 -1.018 2.0035e+05 2024-05-17 14:14:50,776 INFO [main.py:798]
{rank 0/64} MD step = 99800 step time: 00:00:00.343146 Performance: 24.842 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:15:16,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99800 19960 90.276 -18816 9894.4 -28710 -28710 2.07 0.50325 -1.0208 2.0056e+05 2024-05-17 14:15:51,524 INFO [main.py:798]
{rank 0/64} MD step = 99900 step time: 00:00:00.365432 Performance: 24.845 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:16:10,383 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 88.265 -18908 9673.9 -28582 -28582 2.0719 0.50338 -1.0215 2.0074e+05 2024-05-17 14:16:46,715 INFO [main.py:798]
{rank 0/64} MD step = 100000 step time: 00:00:00.364796 Performance: 24.850 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:17:15,314 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 89.19 -18900 9775.4 -28675 -28675 2.0739 0.50374 -1.0223 2.0092e+05 2024-05-17 14:17:52,787 INFO [main.py:798]
{rank 0/64} MD step = 100100 step time: 00:00:00.357465 Performance: 24.852 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:18:43,177 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 90.996 -18500 9973.2 -28474 -28474 2.0765 0.50409 -1.0232 2.011e+05 2024-05-17 14:19:17,890 INFO [main.py:798]
{rank 0/64} MD step = 100200 step time: 00:00:00.367521 Performance: 24.846 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:19:40,812 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 88.556 -19049 9705.8 -28754 -28754 2.0786 0.50568 -1.0256 2.0122e+05 2024-05-17 14:20:15,570 INFO [main.py:798]
{rank 0/64} MD step = 100300 step time: 00:00:00.330663 Performance: 24.850 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:20:37,245 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 90.536 -18839 9922.9 -28762 -28762 2.0792 0.50742 -1.0258 2.0144e+05 2024-05-17 14:21:14,131 INFO [main.py:798]
{rank 0/64} MD step = 100400 step time: 00:00:00.352658 Performance: 24.854 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:21:41,228 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 91.585 -18627 10038 -28665 -28665 2.0817 0.50753 -1.028 2.0165e+05 2024-05-17 14:22:15,743 INFO [main.py:798]
{rank 0/64} MD step = 100500 step time: 00:00:00.354505 Performance: 24.857 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:22:51,106 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 90.326 -18823 9899.9 -28723 -28723 2.0843 0.50846 -1.0302 2.0185e+05 2024-05-17 14:23:26,448 INFO [main.py:798]
{rank 0/64} MD step = 100600 step time: 00:00:00.379592 Performance: 24.857 ns/day 0.966 hours/ns 1.438 steps/s 2024-05-17 14:23:39,252 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 89.525 -18852 9812 -28664 -28664 2.0869 0.50685 -1.0328 2.0208e+05 2024-05-17 14:24:15,735 INFO [main.py:798]
{rank 0/64} MD step = 100700 step time: 00:00:00.385847 Performance: 24.864 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 14:24:29,931 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 88.756 -19041 9727.7 -28768 -28768 2.089 0.50601 -1.0315 2.0228e+05 2024-05-17 14:25:05,697 INFO [main.py:798]
{rank 0/64} MD step = 100800 step time: 00:00:00.381990 Performance: 24.871 ns/day 0.965 hours/ns 1.439 steps/s 2024-05-17 14:25:17,308 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 90.141 -18782 9879.6 -28661 -28661 2.0912 0.50471 -1.032 2.0249e+05 2024-05-17 14:25:52,476 INFO [main.py:798]
{rank 0/64} MD step = 100900 step time: 00:00:00.337372 Performance: 24.879 ns/day 0.965 hours/ns 1.440 steps/s 2024-05-17 14:26:08,716 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 90.806 -18872 9952.5 -28825 -28825 2.0915 0.50361 -1.0332 2.0273e+05 2024-05-17 14:26:45,126 INFO [main.py:798]
{rank 0/64} MD step = 101000 step time: 00:00:00.345344 Performance: 24.885 ns/day 0.964 hours/ns 1.440 steps/s 2024-05-17 14:27:26,899 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 89.267 -18862 9783.7 -28646 -28646 2.0941 0.50344 -1.035 2.0292e+05 2024-05-17 14:28:01,285 INFO [main.py:798]
{rank 0/64} MD step = 101100 step time: 00:00:00.336061 Performance: 24.882 ns/day 0.965 hours/ns 1.440 steps/s 2024-05-17 14:28:07,885 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 89.278 -18792 9784.9 -28577 -28577 2.0977 0.50275 -1.0379 2.0311e+05 2024-05-17 14:28:42,390 INFO [main.py:798]
{rank 0/64} MD step = 101200 step time: 00:00:00.338320 Performance: 24.892 ns/day 0.964 hours/ns 1.441 steps/s 2024-05-17 14:28:58,620 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 89.338 -19010 9791.5 -28801 -28801 2.0993 0.50173 -1.0377 2.0324e+05 2024-05-17 14:29:33,218 INFO [main.py:798]
{rank 0/64} MD step = 101300 step time: 00:00:00.352906 Performance: 24.899 ns/day 0.964 hours/ns 1.441 steps/s 2024-05-17 14:29:41,757 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 90.371 -18837 9904.8 -28742 -28742 2.0992 0.50148 -1.0404 2.0347e+05 2024-05-17 14:30:17,486 INFO [main.py:798]
{rank 0/64} MD step = 101400 step time: 00:00:00.352098 Performance: 24.908 ns/day 0.964 hours/ns 1.441 steps/s 2024-05-17 14:30:26,822 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 88.75 -19002 9727.1 -28729 -28729 2.1013 0.50058 -1.0439 2.0367e+05 2024-05-17 14:31:00,782 INFO [main.py:798]
{rank 0/64} MD step = 101500 step time: 00:00:00.355839 Performance: 24.917 ns/day 0.963 hours/ns 1.442 steps/s 2024-05-17 14:31:25,850 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 90.437 -18963 9912 -28875 -28875 2.1039 0.50176 -1.0451 2.0386e+05 2024-05-17 14:32:01,847 INFO [main.py:798]
{rank 0/64} MD step = 101600 step time: 00:00:00.372424 Performance: 24.920 ns/day 0.963 hours/ns 1.442 steps/s 2024-05-17 14:32:19,039 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 90.828 -18798 9954.9 -28753 -28753 2.1058 0.50172 -1.0491 2.0408e+05 2024-05-17 14:32:54,904 INFO [main.py:798]
{rank 0/64} MD step = 101700 step time: 00:00:00.342775 Performance: 24.926 ns/day 0.963 hours/ns 1.442 steps/s 2024-05-17 14:33:32,514 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 90.392 -18972 9907.1 -28879 -28879 2.1073 0.50182 -1.0517 2.0423e+05 2024-05-17 14:34:07,267 INFO [main.py:798]
{rank 0/64} MD step = 101800 step time: 00:00:00.351226 Performance: 24.925 ns/day 0.963 hours/ns 1.442 steps/s 2024-05-17 14:34:19,996 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 90.077 -18874 9872.6 -28747 -28747 2.1083 0.50106 -1.0529 2.0445e+05 2024-05-17 14:34:54,616 INFO [main.py:798]
{rank 0/64} MD step = 101900 step time: 00:00:00.358686 Performance: 24.933 ns/day 0.963 hours/ns 1.443 steps/s 2024-05-17 14:35:03,369 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 89.371 -18927 9795.1 -28722 -28722 2.1105 0.50144 -1.0543 2.046e+05 2024-05-17 14:35:38,009 INFO [main.py:798]
{rank 0/64} MD step = 102000 step time: 00:00:00.359899 Performance: 24.942 ns/day 0.962 hours/ns 1.443 steps/s 2024-05-17 14:35:51,840 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 89.42 -19005 9800.5 -28806 -28806 2.1137 0.50207 -1.0567 2.0483e+05 2024-05-17 14:36:26,856 INFO [main.py:798]
{rank 0/64} MD step = 102100 step time: 00:00:00.374157 Performance: 24.949 ns/day 0.962 hours/ns 1.444 steps/s 2024-05-17 14:36:39,261 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 89.08 -19149 9763.3 -28912 -28912 2.1145 0.50294 -1.0574 2.05e+05 2024-05-17 14:37:14,278 INFO [main.py:798]
{rank 0/64} MD step = 102200 step time: 00:00:00.343329 Performance: 24.957 ns/day 0.962 hours/ns 1.444 steps/s 2024-05-17 14:38:32,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102200 20440 89.256 -19031 9782.6 -28813 -28813 2.1159 0.50235 -1.0605 2.0522e+05 2024-05-17 14:39:08,622 INFO [main.py:798]
{rank 0/64} MD step = 102300 step time: 00:00:00.383973 Performance: 24.941 ns/day 0.962 hours/ns 1.443 steps/s 2024-05-17 14:39:24,467 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 89.582 -18860 9818.3 -28679 -28679 2.1182 0.50292 -1.0639 2.0542e+05 2024-05-17 14:40:00,283 INFO [main.py:798]
{rank 0/64} MD step = 102400 step time: 00:00:00.387980 Performance: 24.947 ns/day 0.962 hours/ns 1.444 steps/s 2024-05-17 14:40:09,261 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 90.23 -18867 9889.4 -28757 -28757 2.12 0.50266 -1.0657 2.056e+05 2024-05-17 14:40:43,783 INFO [main.py:798]
{rank 0/64} MD step = 102500 step time: 00:00:00.355963 Performance: 24.956 ns/day 0.962 hours/ns 1.444 steps/s 2024-05-17 14:41:05,356 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 91.143 -18881 9989.4 -28870 -28870 2.1212 0.50228 -1.0666 2.0579e+05 2024-05-17 14:41:40,135 INFO [main.py:798]
{rank 0/64} MD step = 102600 step time: 00:00:00.339354 Performance: 24.960 ns/day 0.962 hours/ns 1.444 steps/s 2024-05-17 14:42:02,442 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 90.916 -18797 9964.5 -28761 -28761 2.1243 0.50257 -1.0673 2.0599e+05 2024-05-17 14:42:37,115 INFO [main.py:798]
{rank 0/64} MD step = 102700 step time: 00:00:00.351495 Performance: 24.965 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:42:44,228 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 90.793 -18954 9951 -28905 -28905 2.1239 0.50184 -1.0691 2.0615e+05 2024-05-17 14:43:19,446 INFO [main.py:798]
{rank 0/64} MD step = 102800 step time: 00:00:00.350575 Performance: 24.974 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:43:58,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102800 20560 90.033 -18751 9867.7 -28619 -28619 2.1277 0.50138 -1.0697 2.0639e+05 2024-05-17 14:44:33,806 INFO [main.py:798]
{rank 0/64} MD step = 102900 step time: 00:00:00.343996 Performance: 24.972 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:44:52,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102900 20580 90.199 -18829 9886 -28715 -28715 2.1291 0.5011 -1.0705 2.0661e+05 2024-05-17 14:45:27,727 INFO [main.py:798]
{rank 0/64} MD step = 103000 step time: 00:00:00.331947 Performance: 24.978 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:45:32,732 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 88.686 -18947 9720.1 -28667 -28667 2.1312 0.50066 -1.0702 2.0677e+05 2024-05-17 14:46:07,798 INFO [main.py:798]
{rank 0/64} MD step = 103100 step time: 00:00:00.337831 Performance: 24.988 ns/day 0.960 hours/ns 1.446 steps/s 2024-05-17 14:47:13,592 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 89.973 -18936 9861.2 -28798 -28798 2.1347 0.50198 -1.0719 2.0699e+05 2024-05-17 14:47:49,022 INFO [main.py:798]
{rank 0/64} MD step = 103200 step time: 00:00:00.377555 Performance: 24.977 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:48:06,850 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 89.746 -18856 9836.3 -28692 -28692 2.1363 0.50254 -1.0727 2.0723e+05 2024-05-17 14:48:41,977 INFO [main.py:798]
{rank 0/64} MD step = 103300 step time: 00:00:00.356248 Performance: 24.982 ns/day 0.961 hours/ns 1.446 steps/s 2024-05-17 14:49:09,417 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 89.726 -18881 9834.1 -28715 -28715 2.1379 0.50283 -1.0751 2.0748e+05 2024-05-17 14:49:51,096 INFO [main.py:798]
{rank 0/64} MD step = 103400 step time: 00:00:00.345801 Performance: 24.982 ns/day 0.961 hours/ns 1.446 steps/s 2024-05-17 14:50:36,708 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 90.025 -18901 9866.9 -28768 -28768 2.1406 0.50304 -1.0766 2.0766e+05 2024-05-17 14:51:11,527 INFO [main.py:798]
{rank 0/64} MD step = 103500 step time: 00:00:00.349561 Performance: 24.978 ns/day 0.961 hours/ns 1.446 steps/s 2024-05-17 14:52:11,978 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 89.429 -19014 9801.6 -28815 -28815 2.1433 0.5033 -1.0774 2.0784e+05 2024-05-17 14:52:48,216 INFO [main.py:798]
{rank 0/64} MD step = 103600 step time: 00:00:00.332519 Performance: 24.969 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:53:19,129 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 90.053 -18929 9869.9 -28799 -28799 2.144 0.50414 -1.0779 2.0806e+05 2024-05-17 14:53:53,728 INFO [main.py:798]
{rank 0/64} MD step = 103700 step time: 00:00:00.351693 Performance: 24.970 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:54:28,274 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 89.413 -19027 9799.7 -28827 -28827 2.1451 0.50494 -1.0804 2.0822e+05 2024-05-17 14:55:03,583 INFO [main.py:798]
{rank 0/64} MD step = 103800 step time: 00:00:00.348721 Performance: 24.970 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:55:38,285 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 90.746 -18892 9945.8 -28837 -28837 2.1482 0.50404 -1.0824 2.0839e+05 2024-05-17 14:56:13,051 INFO [main.py:798]
{rank 0/64} MD step = 103900 step time: 00:00:00.331418 Performance: 24.970 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:56:29,926 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 90.405 -19011 9908.5 -28919 -28919 2.1493 0.50468 -1.0829 2.0854e+05 2024-05-17 14:57:10,299 INFO [main.py:798]
{rank 0/64} MD step = 104000 step time: 00:00:00.383643 Performance: 24.974 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:57:24,715 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 89.75 -19087 9836.7 -28924 -28924 2.1538 0.50565 -1.0833 2.0874e+05 2024-05-17 14:58:01,261 INFO [main.py:798]
{rank 0/64} MD step = 104100 step time: 00:00:00.353837 Performance: 24.980 ns/day 0.961 hours/ns 1.446 steps/s 2024-05-17 14:58:58,268 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 91.227 -18976 9998.6 -28975 -28975 2.1565 0.50635 -1.0838 2.0895e+05 2024-05-17 14:59:33,732 INFO [main.py:798]
{rank 0/64} MD step = 104200 step time: 00:00:00.333379 Performance: 24.972 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 14:59:56,214 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 89.058 -19156 9760.9 -28917 -28917 2.1583 0.5049 -1.0856 2.0918e+05 2024-05-17 15:00:31,780 INFO [main.py:798]
{rank 0/64} MD step = 104300 step time: 00:00:00.343850 Performance: 24.976 ns/day 0.961 hours/ns 1.445 steps/s 2024-05-17 15:00:52,003 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 90.293 -19212 9896.2 -29108 -29108 2.1593 0.50452 -1.0875 2.0935e+05 2024-05-17 15:01:26,859 INFO [main.py:798]
{rank 0/64} MD step = 104400 step time: 00:00:00.362254 Performance: 24.981 ns/day 0.961 hours/ns 1.446 steps/s 2024-05-17 15:01:46,624 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 90.524 -18926 9921.5 -28847 -28847 2.1615 0.5049 -1.0892 2.0956e+05 2024-05-17 15:02:20,967 INFO [main.py:798]
{rank 0/64} MD step = 104500 step time: 00:00:00.351670 Performance: 24.986 ns/day 0.961 hours/ns 1.446 steps/s 2024-05-17 15:02:28,546 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 89.074 -19088 9762.6 -28851 -28851 2.1615 0.50407 -1.0916 2.0974e+05 2024-05-17 15:03:03,076 INFO [main.py:798]
{rank 0/64} MD step = 104600 step time: 00:00:00.355312 Performance: 24.996 ns/day 0.960 hours/ns 1.447 steps/s 2024-05-17 15:03:11,944 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 91.233 -18900 9999.3 -28900 -28900 2.1642 0.50526 -1.0935 2.0995e+05 2024-05-17 15:03:46,309 INFO [main.py:798]
{rank 0/64} MD step = 104700 step time: 00:00:00.352348 Performance: 25.005 ns/day 0.960 hours/ns 1.447 steps/s 2024-05-17 15:04:21,313 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 90.105 -19154 9875.6 -29030 -29030 2.1665 0.50618 -1.0957 2.1014e+05 2024-05-17 15:04:57,653 INFO [main.py:798]
{rank 0/64} MD step = 104800 step time: 00:00:00.328746 Performance: 25.004 ns/day 0.960 hours/ns 1.447 steps/s 2024-05-17 15:05:11,621 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 89.892 -19040 9852.3 -28892 -28892 2.1688 0.50742 -1.0974 2.1035e+05 2024-05-17 15:05:48,149 INFO [main.py:798]
{rank 0/64} MD step = 104900 step time: 00:00:00.351492 Performance: 25.010 ns/day 0.960 hours/ns 1.447 steps/s 2024-05-17 15:06:04,784 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 91.691 -19080 10049 -29129 -29129 2.1705 0.5063 -1.0982 2.1052e+05 2024-05-17 15:06:40,828 INFO [main.py:798]
{rank 0/64} MD step = 105000 step time: 00:00:00.369458 Performance: 25.016 ns/day 0.959 hours/ns 1.448 steps/s 2024-05-17 15:07:25,009 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 90.051 -19103 9869.7 -28972 -28972 2.1724 0.50573 -1.1005 2.1077e+05 2024-05-17 15:08:00,683 INFO [main.py:798]
{rank 0/64} MD step = 105100 step time: 00:00:00.357957 Performance: 25.012 ns/day 0.960 hours/ns 1.447 steps/s 2024-05-17 15:08:22,238 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 90.513 -18958 9920.4 -28879 -28879 2.175 0.50727 -1.1029 2.1097e+05 2024-05-17 15:08:56,635 INFO [main.py:798]
{rank 0/64} MD step = 105200 step time: 00:00:00.337619 Performance: 25.017 ns/day 0.959 hours/ns 1.448 steps/s 2024-05-17 15:09:20,938 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 90.163 -18967 9882 -28849 -28849 2.1788 0.5097 -1.1032 2.1118e+05 2024-05-17 15:09:55,717 INFO [main.py:798]
{rank 0/64} MD step = 105300 step time: 00:00:00.344858 Performance: 25.020 ns/day 0.959 hours/ns 1.448 steps/s 2024-05-17 15:10:06,552 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 91.568 -19049 10036 -29085 -29085 2.1803 0.51086 -1.1042 2.1136e+05 2024-05-17 15:10:47,550 INFO [main.py:798]
{rank 0/64} MD step = 105400 step time: 00:00:00.348183 Performance: 25.026 ns/day 0.959 hours/ns 1.448 steps/s 2024-05-17 15:11:10,166 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 90.89 -19011 9961.6 -28972 -28972 2.181 0.5113 -1.1057 2.1154e+05 2024-05-17 15:11:45,153 INFO [main.py:798]
{rank 0/64} MD step = 105500 step time: 00:00:00.360518 Performance: 25.030 ns/day 0.959 hours/ns 1.448 steps/s 2024-05-17 15:11:57,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105500 21100 89.369 -19084 9794.9 -28879 -28879 2.1815 0.51147 -1.1074 2.1175e+05 2024-05-17 15:12:33,000 INFO [main.py:798]
{rank 0/64} MD step = 105600 step time: 00:00:00.367348 Performance: 25.037 ns/day 0.959 hours/ns 1.449 steps/s 2024-05-17 15:12:49,518 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 88.848 -19307 9737.9 -29045 -29045 2.183 0.51363 -1.1093 2.1195e+05 2024-05-17 15:13:24,427 INFO [main.py:798]
{rank 0/64} MD step = 105700 step time: 00:00:00.355722 Performance: 25.043 ns/day 0.958 hours/ns 1.449 steps/s 2024-05-17 15:13:46,987 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 89.742 -19106 9835.9 -28942 -28942 2.1837 0.51331 -1.1093 2.1215e+05 2024-05-17 15:14:21,804 INFO [main.py:798]
{rank 0/64} MD step = 105800 step time: 00:00:00.334680 Performance: 25.047 ns/day 0.958 hours/ns 1.449 steps/s 2024-05-17 15:14:50,344 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 90.925 -19092 9965.5 -29057 -29057 2.1857 0.51391 -1.1106 2.1234e+05 2024-05-17 15:15:24,765 INFO [main.py:798]
{rank 0/64} MD step = 105900 step time: 00:00:00.347009 Performance: 25.049 ns/day 0.958 hours/ns 1.450 steps/s 2024-05-17 15:15:29,804 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 89.363 -19332 9794.3 -29127 -29127 2.1874 0.51529 -1.1114 2.1255e+05 2024-05-17 15:16:04,858 INFO [main.py:798]
{rank 0/64} MD step = 106000 step time: 00:00:00.353817 Performance: 25.059 ns/day 0.958 hours/ns 1.450 steps/s 2024-05-17 15:16:14,759 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 90.002 -19176 9864.3 -29040 -29040 2.1888 0.51653 -1.1129 2.1275e+05 2024-05-17 15:16:56,652 INFO [main.py:798]
{rank 0/64} MD step = 106100 step time: 00:00:00.349710 Performance: 25.065 ns/day 0.958 hours/ns 1.451 steps/s 2024-05-17 15:17:06,632 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 88.902 -19042 9743.8 -28785 -28785 2.1913 0.51666 -1.1138 2.1299e+05 2024-05-17 15:17:42,368 INFO [main.py:798]
{rank 0/64} MD step = 106200 step time: 00:00:00.390570 Performance: 25.073 ns/day 0.957 hours/ns 1.451 steps/s 2024-05-17 15:18:03,500 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 89.512 -19220 9810.6 -29030 -29030 2.1936 0.5156 -1.1155 2.1315e+05 2024-05-17 15:18:38,611 INFO [main.py:798]
{rank 0/64} MD step = 106300 step time: 00:00:00.337060 Performance: 25.077 ns/day 0.957 hours/ns 1.451 steps/s 2024-05-17 15:19:01,035 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 90.479 -19082 9916.6 -28998 -28998 2.1937 0.51512 -1.1165 2.1335e+05 2024-05-17 15:19:36,136 INFO [main.py:798]
{rank 0/64} MD step = 106400 step time: 00:00:00.389523 Performance: 25.081 ns/day 0.957 hours/ns 1.451 steps/s 2024-05-17 15:20:03,888 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 90.637 -18986 9933.9 -28920 -28920 2.1955 0.51675 -1.1184 2.1355e+05 2024-05-17 15:20:38,763 INFO [main.py:798]
{rank 0/64} MD step = 106500 step time: 00:00:00.368393 Performance: 25.083 ns/day 0.957 hours/ns 1.452 steps/s 2024-05-17 15:20:53,591 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 90.256 -19056 9892.2 -28948 -28948 2.1987 0.51811 -1.1197 2.1373e+05 2024-05-17 15:21:28,190 INFO [main.py:798]
{rank 0/64} MD step = 106600 step time: 00:00:00.345785 Performance: 25.090 ns/day 0.957 hours/ns 1.452 steps/s 2024-05-17 15:22:20,193 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 90.584 -19018 9928.1 -28946 -28946 2.1999 0.51802 -1.1228 2.1389e+05 2024-05-17 15:22:55,147 INFO [main.py:798]
{rank 0/64} MD step = 106700 step time: 00:00:00.355213 Performance: 25.084 ns/day 0.957 hours/ns 1.452 steps/s 2024-05-17 15:23:27,664 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 91.091 -19111 9983.7 -29094 -29094 2.2019 0.51828 -1.1234 2.1405e+05 2024-05-17 15:24:03,241 INFO [main.py:798]
{rank 0/64} MD step = 106800 step time: 00:00:00.351148 Performance: 25.084 ns/day 0.957 hours/ns 1.452 steps/s 2024-05-17 15:24:19,822 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 90.038 -19266 9868.3 -29134 -29134 2.2035 0.51969 -1.1255 2.1428e+05 2024-05-17 15:24:54,226 INFO [main.py:798]
{rank 0/64} MD step = 106900 step time: 00:00:00.345083 Performance: 25.090 ns/day 0.957 hours/ns 1.452 steps/s 2024-05-17 15:25:01,571 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 90.04 -19150 9868.5 -29019 -29019 2.2047 0.51975 -1.126 2.1455e+05 2024-05-17 15:25:36,741 INFO [main.py:798]
{rank 0/64} MD step = 107000 step time: 00:00:00.359984 Performance: 25.099 ns/day 0.956 hours/ns 1.453 steps/s 2024-05-17 15:25:47,538 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 89.125 -19225 9768.2 -28993 -28993 2.2055 0.51999 -1.1273 2.1474e+05 2024-05-17 15:26:21,901 INFO [main.py:798]
{rank 0/64} MD step = 107100 step time: 00:00:00.346635 Performance: 25.107 ns/day 0.956 hours/ns 1.453 steps/s 2024-05-17 15:26:42,279 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 89.964 -19203 9860.2 -29063 -29063 2.2066 0.52064 -1.1294 2.1494e+05 2024-05-17 15:27:17,445 INFO [main.py:798]
{rank 0/64} MD step = 107200 step time: 00:00:00.358114 Performance: 25.112 ns/day 0.956 hours/ns 1.453 steps/s 2024-05-17 15:27:38,417 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 89.875 -19152 9850.4 -29003 -29003 2.2074 0.51978 -1.1317 2.1511e+05 2024-05-17 15:28:13,381 INFO [main.py:798]
{rank 0/64} MD step = 107300 step time: 00:00:00.368067 Performance: 25.116 ns/day 0.956 hours/ns 1.453 steps/s 2024-05-17 15:28:24,625 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 91.281 -19084 10004 -29088 -29088 2.2082 0.52033 -1.1329 2.153e+05 2024-05-17 15:28:59,048 INFO [main.py:798]
{rank 0/64} MD step = 107400 step time: 00:00:00.382399 Performance: 25.124 ns/day 0.955 hours/ns 1.454 steps/s 2024-05-17 15:29:11,421 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 89.528 -19377 9812.3 -29190 -29190 2.211 0.52146 -1.1324 2.1554e+05 2024-05-17 15:29:45,741 INFO [main.py:798]
{rank 0/64} MD step = 107500 step time: 00:00:00.349757 Performance: 25.132 ns/day 0.955 hours/ns 1.454 steps/s 2024-05-17 15:30:22,567 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 89.129 -19325 9768.6 -29094 -29094 2.2119 0.52275 -1.1353 2.1576e+05 2024-05-17 15:30:56,873 INFO [main.py:798]
{rank 0/64} MD step = 107600 step time: 00:00:00.358577 Performance: 25.131 ns/day 0.955 hours/ns 1.454 steps/s 2024-05-17 15:31:04,634 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 90.45 -18974 9913.4 -28887 -28887 2.2145 0.52449 -1.1368 2.1603e+05 2024-05-17 15:31:39,329 INFO [main.py:798]
{rank 0/64} MD step = 107700 step time: 00:00:00.348062 Performance: 25.140 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:32:18,041 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 90.708 -18812 9941.7 -28754 -28754 2.2153 0.52647 -1.1391 2.1622e+05 2024-05-17 15:32:52,885 INFO [main.py:798]
{rank 0/64} MD step = 107800 step time: 00:00:00.350711 Performance: 25.138 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:33:42,679 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 89.761 -19190 9837.9 -29028 -29028 2.218 0.52811 -1.1416 2.1637e+05 2024-05-17 15:34:17,331 INFO [main.py:798]
{rank 0/64} MD step = 107900 step time: 00:00:00.363114 Performance: 25.133 ns/day 0.955 hours/ns 1.454 steps/s 2024-05-17 15:34:43,724 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 89.233 -19056 9780 -28836 -28836 2.2194 0.5278 -1.1413 2.1657e+05 2024-05-17 15:35:22,078 INFO [main.py:798]
{rank 0/64} MD step = 108000 step time: 00:00:00.382160 Performance: 25.134 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:35:52,173 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 89.176 -19140 9773.8 -28914 -28914 2.2227 0.52999 -1.1445 2.1677e+05 2024-05-17 15:36:26,877 INFO [main.py:798]
{rank 0/64} MD step = 108100 step time: 00:00:00.362224 Performance: 25.135 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:36:38,224 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 89.699 -19145 9831.2 -28976 -28976 2.2237 0.53153 -1.1478 2.1697e+05 2024-05-17 15:37:13,576 INFO [main.py:798]
{rank 0/64} MD step = 108200 step time: 00:00:00.377987 Performance: 25.143 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:38:14,034 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 89.733 -19194 9834.8 -29029 -29029 2.2255 0.53275 -1.1511 2.1716e+05 2024-05-17 15:38:49,867 INFO [main.py:798]
{rank 0/64} MD step = 108300 step time: 00:00:00.331878 Performance: 25.134 ns/day 0.955 hours/ns 1.454 steps/s 2024-05-17 15:39:18,197 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 89.704 -18994 9831.6 -28826 -28826 2.2264 0.53359 -1.152 2.174e+05 2024-05-17 15:39:52,748 INFO [main.py:798]
{rank 0/64} MD step = 108400 step time: 00:00:00.338827 Performance: 25.136 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:40:05,648 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 89.511 -19239 9810.5 -29049 -29049 2.2298 0.53384 -1.1524 2.1758e+05 2024-05-17 15:40:40,271 INFO [main.py:798]
{rank 0/64} MD step = 108500 step time: 00:00:00.349342 Performance: 25.143 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:41:09,405 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 89.919 -19333 9855.2 -29189 -29189 2.2316 0.53546 -1.1541 2.1777e+05 2024-05-17 15:41:44,008 INFO [main.py:798]
{rank 0/64} MD step = 108600 step time: 00:00:00.353066 Performance: 25.144 ns/day 0.954 hours/ns 1.455 steps/s 2024-05-17 15:42:19,206 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 91.634 -19083 10043 -29126 -29126 2.2348 0.53618 -1.1561 2.18e+05 2024-05-17 15:42:54,224 INFO [main.py:798]
{rank 0/64} MD step = 108700 step time: 00:00:00.350190 Performance: 25.144 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:43:39,369 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 90.461 -19207 9914.7 -29122 -29122 2.2377 0.53584 -1.1591 2.182e+05 2024-05-17 15:44:14,005 INFO [main.py:798]
{rank 0/64} MD step = 108800 step time: 00:00:00.353715 Performance: 25.140 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:44:54,552 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 91.101 -19016 9984.7 -29001 -29001 2.2398 0.53679 -1.1594 2.1842e+05 2024-05-17 15:45:29,771 INFO [main.py:798]
{rank 0/64} MD step = 108900 step time: 00:00:00.336137 Performance: 25.138 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:45:52,329 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 89.156 -19221 9771.7 -28992 -28992 2.244 0.53542 -1.1617 2.1861e+05 2024-05-17 15:46:30,876 INFO [main.py:798]
{rank 0/64} MD step = 109000 step time: 00:00:00.355118 Performance: 25.140 ns/day 0.955 hours/ns 1.455 steps/s 2024-05-17 15:46:41,001 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 90.595 -19078 9929.3 -29007 -29007 2.2448 0.53607 -1.1638 2.1876e+05 2024-05-17 15:47:15,648 INFO [main.py:798]
{rank 0/64} MD step = 109100 step time: 00:00:00.354443 Performance: 25.148 ns/day 0.954 hours/ns 1.455 steps/s 2024-05-17 15:47:29,760 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 89.91 -19238 9854.3 -29092 -29092 2.2462 0.53839 -1.1653 2.1896e+05 2024-05-17 15:48:05,310 INFO [main.py:798]
{rank 0/64} MD step = 109200 step time: 00:00:00.333545 Performance: 25.155 ns/day 0.954 hours/ns 1.456 steps/s 2024-05-17 15:48:10,631 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 89.329 -19460 9790.6 -29251 -29251 2.2494 0.53801 -1.1684 2.1921e+05 2024-05-17 15:48:46,445 INFO [main.py:798]
{rank 0/64} MD step = 109300 step time: 00:00:00.372034 Performance: 25.164 ns/day 0.954 hours/ns 1.456 steps/s 2024-05-17 15:49:20,174 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 90.504 -19034 9919.3 -28953 -28953 2.2513 0.53752 -1.1711 2.1944e+05 2024-05-17 15:49:55,100 INFO [main.py:798]
{rank 0/64} MD step = 109400 step time: 00:00:00.352708 Performance: 25.164 ns/day 0.954 hours/ns 1.456 steps/s 2024-05-17 15:50:03,336 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 90.409 -19246 9908.9 -29155 -29155 2.2536 0.5387 -1.1715 2.196e+05 2024-05-17 15:50:38,345 INFO [main.py:798]
{rank 0/64} MD step = 109500 step time: 00:00:00.367035 Performance: 25.173 ns/day 0.953 hours/ns 1.457 steps/s 2024-05-17 15:50:54,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109500 21900 91.783 -19059 10060 -29119 -29119 2.2563 0.5366 -1.1742 2.1979e+05 2024-05-17 15:51:29,169 INFO [main.py:798]
{rank 0/64} MD step = 109600 step time: 00:00:00.336950 Performance: 25.178 ns/day 0.953 hours/ns 1.457 steps/s 2024-05-17 15:51:40,188 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 89.455 -19349 9804.4 -29153 -29153 2.2574 0.53542 -1.1742 2.1998e+05 2024-05-17 15:52:15,590 INFO [main.py:798]
{rank 0/64} MD step = 109700 step time: 00:00:00.354588 Performance: 25.186 ns/day 0.953 hours/ns 1.458 steps/s 2024-05-17 15:52:30,654 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 91.265 -19184 10003 -29187 -29187 2.2599 0.53525 -1.1757 2.2015e+05 2024-05-17 15:53:05,323 INFO [main.py:798]
{rank 0/64} MD step = 109800 step time: 00:00:00.353091 Performance: 25.192 ns/day 0.953 hours/ns 1.458 steps/s 2024-05-17 15:53:24,287 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 90.951 -19068 9968.3 -29037 -29037 2.2615 0.53424 -1.1788 2.2037e+05 2024-05-17 15:53:58,697 INFO [main.py:798]
{rank 0/64} MD step = 109900 step time: 00:00:00.346430 Performance: 25.197 ns/day 0.952 hours/ns 1.458 steps/s 2024-05-17 15:54:23,727 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 89.973 -19110 9861.2 -28971 -28971 2.2629 0.53622 -1.1789 2.2057e+05 2024-05-17 15:54:58,663 INFO [main.py:798]
{rank 0/64} MD step = 110000 step time: 00:00:00.353561 Performance: 25.200 ns/day 0.952 hours/ns 1.458 steps/s 2024-05-17 15:55:36,161 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 89.275 -19329 9784.6 -29114 -29114 2.2661 0.53517 -1.1832 2.2077e+05 2024-05-17 15:56:10,920 INFO [main.py:798]
{rank 0/64} MD step = 110100 step time: 00:00:00.339193 Performance: 25.199 ns/day 0.952 hours/ns 1.458 steps/s 2024-05-17 15:56:36,841 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 89.347 -19329 9792.6 -29122 -29122 2.2688 0.53534 -1.1851 2.2094e+05 2024-05-17 15:57:11,503 INFO [main.py:798]
{rank 0/64} MD step = 110200 step time: 00:00:00.347003 Performance: 25.202 ns/day 0.952 hours/ns 1.458 steps/s 2024-05-17 15:57:18,415 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 89.596 -19238 9819.9 -29058 -29058 2.2717 0.53568 -1.187 2.2115e+05 2024-05-17 15:57:55,107 INFO [main.py:798]
{rank 0/64} MD step = 110300 step time: 00:00:00.376225 Performance: 25.210 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 15:58:23,117 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 89.572 -19114 9817.2 -28931 -28931 2.2739 0.53506 -1.189 2.2143e+05 2024-05-17 15:58:58,054 INFO [main.py:798]
{rank 0/64} MD step = 110400 step time: 00:00:00.355412 Performance: 25.212 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 15:59:28,558 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 88.8 -19272 9732.5 -29005 -29005 2.2768 0.53656 -1.1917 2.2155e+05 2024-05-17 16:00:03,444 INFO [main.py:798]
{rank 0/64} MD step = 110500 step time: 00:00:00.336378 Performance: 25.213 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 16:00:17,355 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 90.984 -18803 9971.9 -28775 -28775 2.2789 0.53769 -1.1913 2.2177e+05 2024-05-17 16:00:55,882 INFO [main.py:798]
{rank 0/64} MD step = 110600 step time: 00:00:00.358939 Performance: 25.218 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 16:01:14,938 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 90.058 -19201 9870.4 -29071 -29071 2.2802 0.53774 -1.192 2.2196e+05 2024-05-17 16:02:01,730 INFO [main.py:798]
{rank 0/64} MD step = 110700 step time: 00:00:00.338056 Performance: 25.219 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 16:03:03,033 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 89.859 -19102 9848.7 -28950 -28950 2.2816 0.53751 -1.1964 2.2218e+05 2024-05-17 16:03:39,864 INFO [main.py:798]
{rank 0/64} MD step = 110800 step time: 00:00:00.353253 Performance: 25.209 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 16:04:00,200 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 89.124 -19403 9768.1 -29171 -29171 2.2838 0.53653 -1.1987 2.2234e+05 2024-05-17 16:04:34,539 INFO [main.py:798]
{rank 0/64} MD step = 110900 step time: 00:00:00.363905 Performance: 25.214 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 16:04:51,149 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 90.711 -19271 9942 -29213 -29213 2.2866 0.53489 -1.2001 2.2262e+05 2024-05-17 16:05:29,105 INFO [main.py:798]
{rank 0/64} MD step = 111000 step time: 00:00:00.330924 Performance: 25.219 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 16:05:40,679 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 90.125 -19212 9877.8 -29090 -29090 2.2903 0.53376 -1.2004 2.2282e+05 2024-05-17 16:06:16,306 INFO [main.py:798]
{rank 0/64} MD step = 111100 step time: 00:00:00.362456 Performance: 25.226 ns/day 0.951 hours/ns 1.460 steps/s 2024-05-17 16:06:39,475 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 89.253 -19307 9782.2 -29089 -29089 2.2918 0.53485 -1.2012 2.2305e+05 2024-05-17 16:07:14,482 INFO [main.py:798]
{rank 0/64} MD step = 111200 step time: 00:00:00.362756 Performance: 25.229 ns/day 0.951 hours/ns 1.460 steps/s 2024-05-17 16:07:29,615 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 89.882 -19401 9851.1 -29252 -29252 2.2943 0.53651 -1.2038 2.2326e+05 2024-05-17 16:08:04,650 INFO [main.py:798]
{rank 0/64} MD step = 111300 step time: 00:00:00.342340 Performance: 25.235 ns/day 0.951 hours/ns 1.460 steps/s 2024-05-17 16:08:09,949 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 89.573 -19354 9817.3 -29171 -29171 2.2938 0.54001 -1.2058 2.2347e+05 2024-05-17 16:08:46,967 INFO [main.py:798]
{rank 0/64} MD step = 111400 step time: 00:00:00.361566 Performance: 25.244 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:08:59,386 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 89.456 -19412 9804.5 -29216 -29216 2.2946 0.54028 -1.2082 2.2366e+05 2024-05-17 16:09:33,735 INFO [main.py:798]
{rank 0/64} MD step = 111500 step time: 00:00:00.337023 Performance: 25.251 ns/day 0.950 hours/ns 1.461 steps/s 2024-05-17 16:09:43,046 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 90.262 -19544 9892.9 -29437 -29437 2.2961 0.53991 -1.21 2.2383e+05 2024-05-17 16:10:18,194 INFO [main.py:798]
{rank 0/64} MD step = 111600 step time: 00:00:00.352513 Performance: 25.259 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:10:32,164 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 91.684 -19273 10049 -29322 -29322 2.2978 0.54081 -1.2121 2.2406e+05 2024-05-17 16:11:06,896 INFO [main.py:798]
{rank 0/64} MD step = 111700 step time: 00:00:00.366088 Performance: 25.265 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:11:24,734 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 91.564 -19300 10036 -29336 -29336 2.301 0.54026 -1.2129 2.2425e+05 2024-05-17 16:12:01,604 INFO [main.py:798]
{rank 0/64} MD step = 111800 step time: 00:00:00.379350 Performance: 25.270 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:13:15,197 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 88.719 -19575 9723.7 -29299 -29299 2.3032 0.54053 -1.2135 2.2447e+05 2024-05-17 16:13:50,186 INFO [main.py:798]
{rank 0/64} MD step = 111900 step time: 00:00:00.345621 Performance: 25.257 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:14:15,845 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 89.466 -19465 9805.6 -29270 -29270 2.3034 0.54025 -1.2147 2.2463e+05 2024-05-17 16:14:50,623 INFO [main.py:798]
{rank 0/64} MD step = 112000 step time: 00:00:00.350261 Performance: 25.259 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:16:05,341 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 89.606 -19433 9820.9 -29254 -29254 2.3039 0.53866 -1.2146 2.2483e+05 2024-05-17 16:16:40,120 INFO [main.py:798]
{rank 0/64} MD step = 112100 step time: 00:00:00.357916 Performance: 25.246 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:18:21,368 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 90.532 -19188 9922.4 -29110 -29110 2.306 0.53832 -1.2147 2.2502e+05 2024-05-17 16:18:59,560 INFO [main.py:798]
{rank 0/64} MD step = 112200 step time: 00:00:00.329991 Performance: 25.222 ns/day 0.952 hours/ns 1.460 steps/s 2024-05-17 16:19:10,371 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 89.231 -19361 9779.8 -29141 -29141 2.3078 0.53616 -1.2134 2.2518e+05 2024-05-17 16:19:44,956 INFO [main.py:798]
{rank 0/64} MD step = 112300 step time: 00:00:00.360348 Performance: 25.230 ns/day 0.951 hours/ns 1.460 steps/s 2024-05-17 16:19:50,843 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 89.587 -19276 9818.9 -29095 -29095 2.3101 0.53525 -1.2147 2.2539e+05 2024-05-17 16:20:26,509 INFO [main.py:798]
{rank 0/64} MD step = 112400 step time: 00:00:00.354039 Performance: 25.239 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:20:34,614 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 90.36 -19243 9903.6 -29147 -29147 2.3128 0.53567 -1.218 2.256e+05 2024-05-17 16:21:09,993 INFO [main.py:798]
{rank 0/64} MD step = 112500 step time: 00:00:00.338816 Performance: 25.247 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:21:23,613 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 89.769 -19366 9838.8 -29204 -29204 2.3154 0.53489 -1.2197 2.2578e+05 2024-05-17 16:21:58,612 INFO [main.py:798]
{rank 0/64} MD step = 112600 step time: 00:00:00.352829 Performance: 25.253 ns/day 0.950 hours/ns 1.461 steps/s 2024-05-17 16:22:43,649 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 89.691 -19117 9830.2 -28947 -28947 2.3171 0.5366 -1.2197 2.2596e+05 2024-05-17 16:23:20,457 INFO [main.py:798]
{rank 0/64} MD step = 112700 step time: 00:00:00.373191 Performance: 25.249 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:24:29,005 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 89.516 -19071 9811.1 -28882 -28882 2.3182 0.53694 -1.2218 2.2617e+05 2024-05-17 16:25:03,273 INFO [main.py:798]
{rank 0/64} MD step = 112800 step time: 00:00:00.351210 Performance: 25.238 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:25:33,468 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 88.714 -19200 9723.2 -28923 -28923 2.321 0.5374 -1.2238 2.2634e+05 2024-05-17 16:26:08,055 INFO [main.py:798]
{rank 0/64} MD step = 112900 step time: 00:00:00.358106 Performance: 25.239 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:26:33,645 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 90.325 -19072 9899.7 -28972 -28972 2.3241 0.53777 -1.2254 2.2652e+05 2024-05-17 16:27:08,649 INFO [main.py:798]
{rank 0/64} MD step = 113000 step time: 00:00:00.353757 Performance: 25.242 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:27:33,811 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 88.562 -19416 9706.6 -29122 -29122 2.3273 0.5391 -1.2286 2.267e+05 2024-05-17 16:28:08,708 INFO [main.py:798]
{rank 0/64} MD step = 113100 step time: 00:00:00.327161 Performance: 25.244 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:28:24,940 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 89.144 -19304 9770.3 -29075 -29075 2.3283 0.53952 -1.231 2.2693e+05 2024-05-17 16:29:00,875 INFO [main.py:798]
{rank 0/64} MD step = 113200 step time: 00:00:00.348949 Performance: 25.250 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:29:08,915 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 89.66 -19137 9826.8 -28964 -28964 2.33 0.54068 -1.2314 2.2717e+05 2024-05-17 16:29:43,487 INFO [main.py:798]
{rank 0/64} MD step = 113300 step time: 00:00:00.355327 Performance: 25.258 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:29:54,921 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 89.019 -19026 9756.6 -28783 -28783 2.3328 0.53995 -1.2337 2.2739e+05 2024-05-17 16:30:29,314 INFO [main.py:798]
{rank 0/64} MD step = 113400 step time: 00:00:00.420383 Performance: 25.265 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:31:02,624 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 89.14 -19165 9769.8 -28935 -28935 2.335 0.53824 -1.2371 2.2761e+05 2024-05-17 16:31:39,443 INFO [main.py:798]
{rank 0/64} MD step = 113500 step time: 00:00:00.379548 Performance: 25.265 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:31:53,475 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 90.365 -18945 9904.1 -28849 -28849 2.3381 0.53633 -1.2399 2.2783e+05 2024-05-17 16:32:31,848 INFO [main.py:798]
{rank 0/64} MD step = 113600 step time: 00:00:00.357649 Performance: 25.270 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:32:45,413 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 89.943 -18909 9857.9 -28767 -28767 2.341 0.53508 -1.2405 2.2804e+05 2024-05-17 16:33:20,220 INFO [main.py:798]
{rank 0/64} MD step = 113700 step time: 00:00:00.351740 Performance: 25.277 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 16:33:44,176 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 89.673 -18869 9828.3 -28697 -28697 2.3425 0.53458 -1.2436 2.2826e+05 2024-05-17 16:34:20,699 INFO [main.py:798]
{rank 0/64} MD step = 113800 step time: 00:00:00.369483 Performance: 25.279 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 16:34:41,978 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 90.495 -18689 9918.3 -28607 -28607 2.343 0.53508 -1.245 2.2846e+05 2024-05-17 16:35:16,498 INFO [main.py:798]
{rank 0/64} MD step = 113900 step time: 00:00:00.342072 Performance: 25.283 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 16:35:45,915 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 89.266 -18947 9783.7 -28731 -28731 2.3451 0.53578 -1.248 2.2863e+05 2024-05-17 16:36:20,631 INFO [main.py:798]
{rank 0/64} MD step = 114000 step time: 00:00:00.353822 Performance: 25.285 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 16:36:35,304 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 91.382 -18659 10016 -28674 -28674 2.3465 0.53553 -1.2481 2.2883e+05 2024-05-17 16:37:09,604 INFO [main.py:798]
{rank 0/64} MD step = 114100 step time: 00:00:00.350801 Performance: 25.291 ns/day 0.949 hours/ns 1.464 steps/s 2024-05-17 16:37:38,147 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 89.474 -18841 9806.5 -28648 -28648 2.3495 0.53603 -1.2505 2.2904e+05 2024-05-17 16:38:12,957 INFO [main.py:798]
{rank 0/64} MD step = 114200 step time: 00:00:00.373034 Performance: 25.292 ns/day 0.949 hours/ns 1.464 steps/s 2024-05-17 16:39:10,843 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 90.547 -18720 9924.1 -28644 -28644 2.3521 0.53585 -1.2502 2.2924e+05 2024-05-17 16:39:50,842 INFO [main.py:798]
{rank 0/64} MD step = 114300 step time: 00:00:00.343717 Performance: 25.283 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 16:40:59,667 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 90.019 -19064 9866.2 -28930 -28930 2.354 0.53632 -1.2523 2.2941e+05 2024-05-17 16:41:41,651 INFO [main.py:798]
{rank 0/64} MD step = 114400 step time: 00:00:00.343854 Performance: 25.269 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:42:56,984 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 90.59 -18892 9928.7 -28821 -28821 2.3551 0.53639 -1.2538 2.2968e+05 2024-05-17 16:43:31,857 INFO [main.py:798]
{rank 0/64} MD step = 114500 step time: 00:00:00.380673 Performance: 25.256 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:43:50,604 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 89.827 -18915 9845.1 -28760 -28760 2.3595 0.53613 -1.2548 2.2988e+05 2024-05-17 16:44:27,386 INFO [main.py:798]
{rank 0/64} MD step = 114600 step time: 00:00:00.327053 Performance: 25.260 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:44:43,169 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 90.246 -18933 9891 -28824 -28824 2.3615 0.53601 -1.255 2.3008e+05 2024-05-17 16:45:17,840 INFO [main.py:798]
{rank 0/64} MD step = 114700 step time: 00:00:00.351723 Performance: 25.266 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:45:28,080 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 90.258 -18996 9892.4 -28888 -28888 2.3632 0.53476 -1.2557 2.3027e+05 2024-05-17 16:46:03,046 INFO [main.py:798]
{rank 0/64} MD step = 114800 step time: 00:00:00.367380 Performance: 25.273 ns/day 0.950 hours/ns 1.463 steps/s 2024-05-17 16:46:15,093 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 89.757 -18975 9837.5 -28812 -28812 2.3652 0.53344 -1.2587 2.3049e+05 2024-05-17 16:46:51,135 INFO [main.py:798]
{rank 0/64} MD step = 114900 step time: 00:00:00.351903 Performance: 25.280 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 16:47:17,749 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 90.201 -19029 9886.1 -28915 -28915 2.3663 0.53352 -1.2612 2.3071e+05 2024-05-17 16:47:53,609 INFO [main.py:798]
{rank 0/64} MD step = 115000 step time: 00:00:00.343031 Performance: 25.282 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 16:49:25,370 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 90.27 -18946 9893.7 -28840 -28840 2.3694 0.53294 -1.2627 2.309e+05 2024-05-17 16:50:01,435 INFO [main.py:798]
{rank 0/64} MD step = 115100 step time: 00:00:00.345662 Performance: 25.262 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:50:18,404 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 88.976 -18969 9751.9 -28721 -28721 2.3711 0.53193 -1.2648 2.311e+05 2024-05-17 16:51:01,631 INFO [main.py:798]
{rank 0/64} MD step = 115200 step time: 00:00:00.335944 Performance: 25.265 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 16:52:24,501 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 89.893 -18799 9852.4 -28652 -28652 2.3737 0.53064 -1.2655 2.3133e+05 2024-05-17 16:52:59,301 INFO [main.py:798]
{rank 0/64} MD step = 115300 step time: 00:00:00.353672 Performance: 25.249 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 16:53:32,820 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 89.49 -19140 9808.2 -28948 -28948 2.3759 0.53112 -1.2669 2.3153e+05 2024-05-17 16:54:47,973 INFO [main.py:798]
{rank 0/64} MD step = 115400 step time: 00:00:00.339327 Performance: 25.236 ns/day 0.951 hours/ns 1.460 steps/s 2024-05-17 16:56:17,195 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 88.974 -19208 9751.7 -28960 -28960 2.3781 0.53089 -1.267 2.317e+05 2024-05-17 16:56:51,709 INFO [main.py:798]
{rank 0/64} MD step = 115500 step time: 00:00:00.353770 Performance: 25.219 ns/day 0.952 hours/ns 1.459 steps/s 2024-05-17 16:57:19,734 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 89.004 -19012 9754.9 -28767 -28767 2.3813 0.53096 -1.2683 2.3191e+05 2024-05-17 16:57:54,526 INFO [main.py:798]
{rank 0/64} MD step = 115600 step time: 00:00:00.345538 Performance: 25.221 ns/day 0.952 hours/ns 1.460 steps/s 2024-05-17 16:58:01,749 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 89.144 -18948 9770.3 -28718 -28718 2.3835 0.5298 -1.2717 2.321e+05 2024-05-17 16:58:36,303 INFO [main.py:798]
{rank 0/64} MD step = 115700 step time: 00:00:00.348221 Performance: 25.229 ns/day 0.951 hours/ns 1.460 steps/s 2024-05-17 16:59:05,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115700 23140 89.39 -18889 9797.2 -28686 -28686 2.3857 0.52828 -1.272 2.3227e+05 2024-05-17 16:59:40,673 INFO [main.py:798]
{rank 0/64} MD step = 115800 step time: 00:00:00.344111 Performance: 25.230 ns/day 0.951 hours/ns 1.460 steps/s 2024-05-17 16:59:57,427 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 90.408 -18953 9908.8 -28861 -28861 2.3879 0.5254 -1.2724 2.3247e+05 2024-05-17 17:00:33,490 INFO [main.py:798]
{rank 0/64} MD step = 115900 step time: 00:00:00.352163 Performance: 25.235 ns/day 0.951 hours/ns 1.460 steps/s 2024-05-17 17:00:43,046 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 89.992 -18760 9863.2 -28623 -28623 2.3904 0.5243 -1.2729 2.3269e+05 2024-05-17 17:01:18,065 INFO [main.py:798]
{rank 0/64} MD step = 116000 step time: 00:00:00.352987 Performance: 25.243 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 17:01:25,207 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 87.754 -19045 9618 -28663 -28663 2.3924 0.5237 -1.2768 2.3284e+05 2024-05-17 17:02:02,448 INFO [main.py:798]
{rank 0/64} MD step = 116100 step time: 00:00:00.378404 Performance: 25.251 ns/day 0.950 hours/ns 1.461 steps/s 2024-05-17 17:02:48,505 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 88.242 -19124 9671.4 -28795 -28795 2.3936 0.52352 -1.2787 2.33e+05 2024-05-17 17:03:27,611 INFO [main.py:798]
{rank 0/64} MD step = 116200 step time: 00:00:00.333325 Performance: 25.245 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 17:03:52,142 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 90.62 -18929 9932.1 -28861 -28861 2.3963 0.52265 -1.2811 2.3318e+05 2024-05-17 17:04:26,856 INFO [main.py:798]
{rank 0/64} MD step = 116300 step time: 00:00:00.365641 Performance: 25.248 ns/day 0.951 hours/ns 1.461 steps/s 2024-05-17 17:04:42,344 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 91.312 -18704 10008 -28712 -28712 2.3983 0.52232 -1.2818 2.3336e+05 2024-05-17 17:05:17,266 INFO [main.py:798]
{rank 0/64} MD step = 116400 step time: 00:00:00.347883 Performance: 25.254 ns/day 0.950 hours/ns 1.461 steps/s 2024-05-17 17:05:43,415 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 89.077 -19162 9762.9 -28925 -28925 2.4 0.52113 -1.2833 2.3355e+05 2024-05-17 17:06:20,295 INFO [main.py:798]
{rank 0/64} MD step = 116500 step time: 00:00:00.330661 Performance: 25.256 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 17:06:29,293 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 89.499 -18994 9809.1 -28803 -28803 2.4014 0.52064 -1.2846 2.338e+05 2024-05-17 17:07:05,622 INFO [main.py:798]
{rank 0/64} MD step = 116600 step time: 00:00:00.330186 Performance: 25.263 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 17:07:13,245 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 89.901 -18983 9853.3 -28836 -28836 2.4046 0.51913 -1.288 2.3398e+05 2024-05-17 17:07:49,219 INFO [main.py:798]
{rank 0/64} MD step = 116700 step time: 00:00:00.350829 Performance: 25.271 ns/day 0.950 hours/ns 1.462 steps/s 2024-05-17 17:08:02,649 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 89.416 -19019 9800.1 -28819 -28819 2.4055 0.5195 -1.2871 2.3414e+05 2024-05-17 17:08:38,015 INFO [main.py:798]
{rank 0/64} MD step = 116800 step time: 00:00:00.352490 Performance: 25.277 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 17:08:51,916 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 89.581 -19033 9818.2 -28851 -28851 2.4074 0.51821 -1.288 2.3432e+05 2024-05-17 17:09:27,229 INFO [main.py:798]
{rank 0/64} MD step = 116900 step time: 00:00:00.351394 Performance: 25.283 ns/day 0.949 hours/ns 1.463 steps/s 2024-05-17 17:09:35,686 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 89.51 -19181 9810.4 -28991 -28991 2.4098 0.51725 -1.2897 2.3449e+05 2024-05-17 17:10:10,958 INFO [main.py:798]
{rank 0/64} MD step = 117000 step time: 00:00:00.344175 Performance: 25.291 ns/day 0.949 hours/ns 1.464 steps/s 2024-05-17 17:10:20,594 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 89.368 -19277 9794.9 -29071 -29071 2.4109 0.51536 -1.2913 2.3467e+05 2024-05-17 17:10:55,587 INFO [main.py:798]
{rank 0/64} MD step = 117100 step time: 00:00:00.357932 Performance: 25.298 ns/day 0.949 hours/ns 1.464 steps/s 2024-05-17 17:11:05,333 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 89.783 -19089 9840.3 -28929 -28929 2.4132 0.51567 -1.2909 2.3491e+05 2024-05-17 17:11:39,894 INFO [main.py:798]
{rank 0/64} MD step = 117200 step time: 00:00:00.351990 Performance: 25.306 ns/day 0.948 hours/ns 1.464 steps/s 2024-05-17 17:12:13,814 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 90.502 -19140 9919.1 -29059 -29059 2.4149 0.51575 -1.2931 2.3508e+05 2024-05-17 17:12:48,321 INFO [main.py:798]
{rank 0/64} MD step = 117300 step time: 00:00:00.338899 Performance: 25.306 ns/day 0.948 hours/ns 1.464 steps/s 2024-05-17 17:13:04,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117300 23460 88.988 -19077 9753.2 -28830 -28830 2.4183 0.5147 -1.2947 2.3532e+05 2024-05-17 17:13:39,945 INFO [main.py:798]
{rank 0/64} MD step = 117400 step time: 00:00:00.382297 Performance: 25.311 ns/day 0.948 hours/ns 1.465 steps/s 2024-05-17 17:14:21,738 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 89.762 -19128 9838 -28966 -28966 2.419 0.51473 -1.2974 2.3551e+05 2024-05-17 17:14:57,430 INFO [main.py:798]
{rank 0/64} MD step = 117500 step time: 00:00:00.352487 Performance: 25.308 ns/day 0.948 hours/ns 1.465 steps/s 2024-05-17 17:15:20,362 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 89.315 -19263 9789 -29052 -29052 2.4227 0.51431 -1.2969 2.3572e+05 2024-05-17 17:15:58,841 INFO [main.py:798]
{rank 0/64} MD step = 117600 step time: 00:00:00.340200 Performance: 25.310 ns/day 0.948 hours/ns 1.465 steps/s 2024-05-17 17:16:27,887 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 91.566 -18724 10036 -28759 -28759 2.4264 0.51397 -1.2986 2.3598e+05 2024-05-17 17:17:02,367 INFO [main.py:798]
{rank 0/64} MD step = 117700 step time: 00:00:00.382833 Performance: 25.312 ns/day 0.948 hours/ns 1.465 steps/s 2024-05-17 17:17:17,166 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 90.095 -19070 9874.5 -28945 -28945 2.4275 0.51251 -1.3007 2.3615e+05 2024-05-17 17:17:52,058 INFO [main.py:798]
{rank 0/64} MD step = 117800 step time: 00:00:00.329869 Performance: 25.318 ns/day 0.948 hours/ns 1.465 steps/s 2024-05-17 17:18:01,494 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 89.674 -19038 9828.4 -28867 -28867 2.4304 0.51113 -1.3017 2.3636e+05 2024-05-17 17:18:35,514 INFO [main.py:798]
{rank 0/64} MD step = 117900 step time: 00:00:00.327309 Performance: 25.326 ns/day 0.948 hours/ns 1.466 steps/s 2024-05-17 17:19:01,706 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 89.594 -18796 9819.6 -28616 -28616 2.4315 0.50984 -1.3029 2.3656e+05 2024-05-17 17:19:41,636 INFO [main.py:798]
{rank 0/64} MD step = 118000 step time: 00:00:00.377822 Performance: 25.326 ns/day 0.948 hours/ns 1.466 steps/s 2024-05-17 17:19:59,496 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 90.317 -18940 9898.8 -28839 -28839 2.4323 0.50888 -1.3041 2.3678e+05 2024-05-17 17:20:34,453 INFO [main.py:798]
{rank 0/64} MD step = 118100 step time: 00:00:00.334387 Performance: 25.331 ns/day 0.947 hours/ns 1.466 steps/s 2024-05-17 17:21:50,389 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 90.414 -18960 9909.5 -28869 -28869 2.4364 0.50891 -1.3058 2.3695e+05 2024-05-17 17:22:24,963 INFO [main.py:798]
{rank 0/64} MD step = 118200 step time: 00:00:00.352481 Performance: 25.318 ns/day 0.948 hours/ns 1.465 steps/s 2024-05-17 17:22:33,868 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 90.249 -18831 9891.4 -28723 -28723 2.4389 0.50524 -1.3086 2.372e+05 2024-05-17 17:23:08,585 INFO [main.py:798]
{rank 0/64} MD step = 118300 step time: 00:00:00.344883 Performance: 25.326 ns/day 0.948 hours/ns 1.466 steps/s 2024-05-17 17:23:29,394 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 88.708 -19118 9722.5 -28840 -28840 2.4415 0.50374 -1.3095 2.3741e+05 2024-05-17 17:24:04,865 INFO [main.py:798]
{rank 0/64} MD step = 118400 step time: 00:00:00.360389 Performance: 25.329 ns/day 0.948 hours/ns 1.466 steps/s 2024-05-17 17:24:23,631 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 89.171 -19008 9773.3 -28782 -28782 2.4433 0.50384 -1.3089 2.3761e+05 2024-05-17 17:24:58,127 INFO [main.py:798]
{rank 0/64} MD step = 118500 step time: 00:00:00.347161 Performance: 25.334 ns/day 0.947 hours/ns 1.466 steps/s 2024-05-17 17:25:13,027 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 89.033 -18784 9758.1 -28542 -28542 2.4446 0.50448 -1.3118 2.3784e+05 2024-05-17 17:25:49,707 INFO [main.py:798]
{rank 0/64} MD step = 118600 step time: 00:00:00.373636 Performance: 25.339 ns/day 0.947 hours/ns 1.466 steps/s 2024-05-17 17:26:06,956 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 89.449 -18672 9803.8 -28476 -28476 2.4463 0.50494 -1.3132 2.3805e+05 2024-05-17 17:26:42,136 INFO [main.py:798]
{rank 0/64} MD step = 118700 step time: 00:00:00.327455 Performance: 25.344 ns/day 0.947 hours/ns 1.467 steps/s 2024-05-17 17:26:50,131 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 88.128 -18981 9658.9 -28639 -28639 2.4493 0.50443 -1.3152 2.3823e+05 2024-05-17 17:27:28,833 INFO [main.py:798]
{rank 0/64} MD step = 118800 step time: 00:00:00.353156 Performance: 25.351 ns/day 0.947 hours/ns 1.467 steps/s 2024-05-17 17:27:48,575 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 90.832 -18755 9955.3 -28710 -28710 2.4501 0.50129 -1.3166 2.3842e+05 2024-05-17 17:28:23,103 INFO [main.py:798]
{rank 0/64} MD step = 118900 step time: 00:00:00.354610 Performance: 25.355 ns/day 0.947 hours/ns 1.467 steps/s 2024-05-17 17:28:34,525 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 89.797 -18788 9841.8 -28630 -28630 2.4535 0.50153 -1.3186 2.3861e+05 2024-05-17 17:29:11,753 INFO [main.py:798]
{rank 0/64} MD step = 119000 step time: 00:00:00.377445 Performance: 25.361 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:29:55,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119000 23800 90.268 -18818 9893.5 -28711 -28711 2.4533 0.50326 -1.3203 2.3883e+05 2024-05-17 17:30:39,597 INFO [main.py:798]
{rank 0/64} MD step = 119100 step time: 00:00:00.327330 Performance: 25.355 ns/day 0.947 hours/ns 1.467 steps/s 2024-05-17 17:30:56,423 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 90.844 -18839 9956.6 -28796 -28796 2.4549 0.50054 -1.3206 2.3901e+05 2024-05-17 17:31:32,408 INFO [main.py:798]
{rank 0/64} MD step = 119200 step time: 00:00:00.345574 Performance: 25.360 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:32:56,080 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 89.487 -18688 9807.9 -28496 -28496 2.4578 0.49894 -1.3219 2.3923e+05 2024-05-17 17:33:37,550 INFO [main.py:798]
{rank 0/64} MD step = 119300 step time: 00:00:00.335853 Performance: 25.342 ns/day 0.947 hours/ns 1.467 steps/s 2024-05-17 17:33:54,056 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 88.605 -19038 9711.2 -28749 -28749 2.4619 0.49859 -1.3235 2.3942e+05 2024-05-17 17:34:28,633 INFO [main.py:798]
{rank 0/64} MD step = 119400 step time: 00:00:00.337921 Performance: 25.347 ns/day 0.947 hours/ns 1.467 steps/s 2024-05-17 17:34:37,274 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 89.46 -18910 9804.9 -28715 -28715 2.464 0.49847 -1.3232 2.3959e+05 2024-05-17 17:35:12,756 INFO [main.py:798]
{rank 0/64} MD step = 119500 step time: 00:00:00.335041 Performance: 25.355 ns/day 0.947 hours/ns 1.467 steps/s 2024-05-17 17:35:24,592 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 90.088 -18703 9873.8 -28577 -28577 2.466 0.49948 -1.3252 2.3983e+05 2024-05-17 17:36:04,884 INFO [main.py:798]
{rank 0/64} MD step = 119600 step time: 00:00:00.335069 Performance: 25.360 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:36:28,381 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 89.912 -18793 9854.5 -28648 -28648 2.4667 0.49881 -1.3266 2.3998e+05 2024-05-17 17:37:04,412 INFO [main.py:798]
{rank 0/64} MD step = 119700 step time: 00:00:00.340928 Performance: 25.363 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:37:20,203 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 89.88 -18896 9850.9 -28747 -28747 2.4675 0.49935 -1.3281 2.4021e+05 2024-05-17 17:37:54,589 INFO [main.py:798]
{rank 0/64} MD step = 119800 step time: 00:00:00.337290 Performance: 25.368 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:38:55,987 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 90.019 -18825 9866.2 -28692 -28692 2.4675 0.49932 -1.3302 2.4041e+05 2024-05-17 17:39:31,765 INFO [main.py:798]
{rank 0/64} MD step = 119900 step time: 00:00:00.384236 Performance: 25.359 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:40:00,705 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 89.23 -19102 9779.7 -28881 -28881 2.4691 0.49767 -1.3312 2.4057e+05 2024-05-17 17:40:36,644 INFO [main.py:798]
{rank 0/64} MD step = 120000 step time: 00:00:00.348591 Performance: 25.360 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:41:05,340 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 90.461 -19104 9914.7 -29019 -29019 2.4716 0.4956 -1.3341 2.4075e+05 2024-05-17 17:41:39,723 INFO [main.py:798]
{rank 0/64} MD step = 120100 step time: 00:00:00.349096 Performance: 25.362 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:41:59,077 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 89.285 -18976 9785.7 -28762 -28762 2.4736 0.49694 -1.3368 2.4098e+05 2024-05-17 17:42:35,767 INFO [main.py:798]
{rank 0/64} MD step = 120200 step time: 00:00:00.355733 Performance: 25.366 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:43:25,598 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 90.007 -18813 9864.9 -28678 -28678 2.4775 0.4953 -1.3384 2.4123e+05 2024-05-17 17:44:01,062 INFO [main.py:798]
{rank 0/64} MD step = 120300 step time: 00:00:00.379909 Performance: 25.360 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:44:41,882 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 89.342 -19068 9791.9 -28860 -28860 2.4795 0.49562 -1.3388 2.4139e+05 2024-05-17 17:45:18,486 INFO [main.py:798]
{rank 0/64} MD step = 120400 step time: 00:00:00.382097 Performance: 25.357 ns/day 0.946 hours/ns 1.467 steps/s 2024-05-17 17:45:36,832 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 90.616 -18645 9931.6 -28576 -28576 2.481 0.49569 -1.3411 2.4161e+05 2024-05-17 17:46:11,101 INFO [main.py:798]
{rank 0/64} MD step = 120500 step time: 00:00:00.334190 Performance: 25.362 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:47:00,192 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 90.437 -18726 9912 -28638 -28638 2.4815 0.49437 -1.3448 2.4181e+05 2024-05-17 17:47:35,497 INFO [main.py:798]
{rank 0/64} MD step = 120600 step time: 00:00:00.343273 Performance: 25.357 ns/day 0.946 hours/ns 1.467 steps/s 2024-05-17 17:47:43,936 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 89.856 -18867 9848.3 -28715 -28715 2.4824 0.49311 -1.3458 2.4198e+05 2024-05-17 17:48:19,095 INFO [main.py:798]
{rank 0/64} MD step = 120700 step time: 00:00:00.351044 Performance: 25.365 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:48:43,813 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 88.978 -19077 9752 -28829 -28829 2.4834 0.48843 -1.3477 2.4218e+05 2024-05-17 17:49:21,800 INFO [main.py:798]
{rank 0/64} MD step = 120800 step time: 00:00:00.384266 Performance: 25.366 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:49:44,795 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 89.747 -18805 9836.4 -28642 -28642 2.4863 0.48677 -1.3482 2.4237e+05 2024-05-17 17:50:20,473 INFO [main.py:798]
{rank 0/64} MD step = 120900 step time: 00:00:00.379550 Performance: 25.369 ns/day 0.946 hours/ns 1.468 steps/s 2024-05-17 17:50:28,361 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 90.298 -18632 9896.8 -28529 -28529 2.4882 0.48601 -1.3518 2.4256e+05 2024-05-17 17:51:02,732 INFO [main.py:798]
{rank 0/64} MD step = 121000 step time: 00:00:00.345441 Performance: 25.377 ns/day 0.946 hours/ns 1.469 steps/s 2024-05-17 17:51:11,087 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 89.398 -18763 9798.1 -28561 -28561 2.4913 0.48498 -1.3534 2.4277e+05 2024-05-17 17:51:46,661 INFO [main.py:798]
{rank 0/64} MD step = 121100 step time: 00:00:00.372289 Performance: 25.385 ns/day 0.945 hours/ns 1.469 steps/s 2024-05-17 17:51:58,735 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 90.516 -18796 9920.6 -28717 -28717 2.4935 0.48399 -1.3537 2.4295e+05 2024-05-17 17:52:33,489 INFO [main.py:798]
{rank 0/64} MD step = 121200 step time: 00:00:00.330145 Performance: 25.391 ns/day 0.945 hours/ns 1.469 steps/s 2024-05-17 17:52:42,302 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 91.396 -18590 10017 -28607 -28607 2.4947 0.482 -1.3558 2.4312e+05 2024-05-17 17:53:25,920 INFO [main.py:798]
{rank 0/64} MD step = 121300 step time: 00:00:00.341945 Performance: 25.396 ns/day 0.945 hours/ns 1.470 steps/s 2024-05-17 17:53:38,678 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 89.583 -18612 9818.4 -28430 -28430 2.4946 0.48113 -1.3574 2.4336e+05 2024-05-17 17:54:13,408 INFO [main.py:798]
{rank 0/64} MD step = 121400 step time: 00:00:00.355372 Performance: 25.402 ns/day 0.945 hours/ns 1.470 steps/s 2024-05-17 17:54:31,331 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 91.041 -18461 9978.2 -28439 -28439 2.4978 0.47951 -1.359 2.4358e+05 2024-05-17 17:55:07,010 INFO [main.py:798]
{rank 0/64} MD step = 121500 step time: 00:00:00.367681 Performance: 25.407 ns/day 0.945 hours/ns 1.470 steps/s 2024-05-17 17:55:14,659 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 90.063 -18739 9871 -28610 -28610 2.502 0.47858 -1.3606 2.4372e+05 2024-05-17 17:56:25,188 INFO [main.py:798]
{rank 0/64} MD step = 121600 step time: 00:00:00.350092 Performance: 25.404 ns/day 0.945 hours/ns 1.470 steps/s 2024-05-17 17:56:43,732 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 89.35 -18709 9792.9 -28502 -28502 2.5054 0.47633 -1.3602 2.4398e+05 2024-05-17 17:57:18,606 INFO [main.py:798]
{rank 0/64} MD step = 121700 step time: 00:00:00.365568 Performance: 25.408 ns/day 0.945 hours/ns 1.470 steps/s 2024-05-17 17:57:34,643 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 90.663 -18777 9936.7 -28713 -28713 2.5073 0.47601 -1.361 2.4413e+05 2024-05-17 17:58:10,742 INFO [main.py:798]
{rank 0/64} MD step = 121800 step time: 00:00:00.361291 Performance: 25.413 ns/day 0.944 hours/ns 1.471 steps/s 2024-05-17 17:58:19,366 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 91.084 -18458 9983 -28441 -28441 2.5071 0.47597 -1.3619 2.4434e+05 2024-05-17 17:58:55,407 INFO [main.py:798]
{rank 0/64} MD step = 121900 step time: 00:00:00.351010 Performance: 25.420 ns/day 0.944 hours/ns 1.471 steps/s 2024-05-17 17:59:11,127 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 90.044 -18636 9869 -28505 -28505 2.5102 0.47461 -1.3643 2.4451e+05 2024-05-17 17:59:46,766 INFO [main.py:798]
{rank 0/64} MD step = 122000 step time: 00:00:00.363858 Performance: 25.425 ns/day 0.944 hours/ns 1.471 steps/s 2024-05-17 17:59:55,415 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 89.103 -18772 9765.8 -28537 -28537 2.5125 0.47222 -1.3662 2.4471e+05 2024-05-17 18:00:29,719 INFO [main.py:798]
{rank 0/64} MD step = 122100 step time: 00:00:00.339896 Performance: 25.433 ns/day 0.944 hours/ns 1.472 steps/s 2024-05-17 18:00:53,151 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 89.297 -18807 9787 -28594 -28594 2.5146 0.46976 -1.3688 2.4492e+05 2024-05-17 18:01:28,068 INFO [main.py:798]
{rank 0/64} MD step = 122200 step time: 00:00:00.357429 Performance: 25.436 ns/day 0.944 hours/ns 1.472 steps/s 2024-05-17 18:01:58,842 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 88.446 -19008 9693.8 -28702 -28702 2.5175 0.46772 -1.3706 2.4513e+05 2024-05-17 18:02:33,522 INFO [main.py:798]
{rank 0/64} MD step = 122300 step time: 00:00:00.353662 Performance: 25.437 ns/day 0.944 hours/ns 1.472 steps/s 2024-05-17 18:02:47,823 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 89.323 -18813 9790 -28602 -28602 2.5186 0.46926 -1.3714 2.4531e+05 2024-05-17 18:03:24,728 INFO [main.py:798]
{rank 0/64} MD step = 122400 step time: 00:00:00.381446 Performance: 25.442 ns/day 0.943 hours/ns 1.472 steps/s 2024-05-17 18:03:31,651 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 90.975 -18686 9971 -28657 -28657 2.5212 0.46745 -1.3718 2.4551e+05 2024-05-17 18:04:06,570 INFO [main.py:798]
{rank 0/64} MD step = 122500 step time: 00:00:00.343907 Performance: 25.450 ns/day 0.943 hours/ns 1.473 steps/s 2024-05-17 18:04:13,280 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 89.521 -18804 9811.6 -28616 -28616 2.5227 0.46725 -1.3717 2.4568e+05 2024-05-17 18:04:48,299 INFO [main.py:798]
{rank 0/64} MD step = 122600 step time: 00:00:00.388240 Performance: 25.458 ns/day 0.943 hours/ns 1.473 steps/s 2024-05-17 18:05:08,515 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 89.305 -18973 9788 -28761 -28761 2.5259 0.46599 -1.3736 2.459e+05 2024-05-17 18:05:43,470 INFO [main.py:798]
{rank 0/64} MD step = 122700 step time: 00:00:00.348910 Performance: 25.462 ns/day 0.943 hours/ns 1.473 steps/s 2024-05-17 18:05:49,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122700 24540 90.833 -18649 9955.4 -28605 -28605 2.5271 0.4654 -1.3748 2.4609e+05 2024-05-17 18:06:23,797 INFO [main.py:798]
{rank 0/64} MD step = 122800 step time: 00:00:00.350368 Performance: 25.470 ns/day 0.942 hours/ns 1.474 steps/s 2024-05-17 18:06:30,706 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 87.458 -19144 9585.5 -28730 -28730 2.5305 0.46615 -1.3768 2.4627e+05 2024-05-17 18:07:07,643 INFO [main.py:798]
{rank 0/64} MD step = 122900 step time: 00:00:00.351580 Performance: 25.477 ns/day 0.942 hours/ns 1.474 steps/s 2024-05-17 18:07:52,087 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 90.006 -19071 9864.8 -28936 -28936 2.5341 0.46555 -1.3773 2.4646e+05 2024-05-17 18:08:26,722 INFO [main.py:798]
{rank 0/64} MD step = 123000 step time: 00:00:00.374241 Performance: 25.474 ns/day 0.942 hours/ns 1.474 steps/s 2024-05-17 18:08:40,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123000 24600 91.027 -18794 9976.7 -28771 -28771 2.5362 0.46239 -1.3807 2.4667e+05 2024-05-17 18:09:15,348 INFO [main.py:798]
{rank 0/64} MD step = 123100 step time: 00:00:00.359205 Performance: 25.480 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:09:46,742 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 89.494 -19013 9808.6 -28822 -28822 2.5401 0.46201 -1.3827 2.4686e+05 2024-05-17 18:10:21,373 INFO [main.py:798]
{rank 0/64} MD step = 123200 step time: 00:00:00.335253 Performance: 25.480 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:10:28,494 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 90.319 -18826 9899 -28725 -28725 2.5418 0.46159 -1.385 2.4704e+05 2024-05-17 18:11:04,829 INFO [main.py:798]
{rank 0/64} MD step = 123300 step time: 00:00:00.336097 Performance: 25.488 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:11:15,980 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 90.311 -18955 9898.2 -28854 -28854 2.5442 0.4603 -1.387 2.4723e+05 2024-05-17 18:11:50,681 INFO [main.py:798]
{rank 0/64} MD step = 123400 step time: 00:00:00.360993 Performance: 25.494 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:12:21,641 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 90.95 -19013 9968.2 -28981 -28981 2.5467 0.45856 -1.3875 2.4743e+05 2024-05-17 18:12:56,078 INFO [main.py:798]
{rank 0/64} MD step = 123500 step time: 00:00:00.349517 Performance: 25.495 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:13:31,615 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 89.637 -19078 9824.3 -28902 -28902 2.5483 0.45749 -1.387 2.4762e+05 2024-05-17 18:14:10,799 INFO [main.py:798]
{rank 0/64} MD step = 123600 step time: 00:00:00.379205 Performance: 25.493 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:14:42,047 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 89.586 -18936 9818.7 -28755 -28755 2.5506 0.45675 -1.3876 2.4782e+05 2024-05-17 18:15:16,649 INFO [main.py:798]
{rank 0/64} MD step = 123700 step time: 00:00:00.353818 Performance: 25.494 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:15:44,774 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 89.278 -19056 9784.9 -28841 -28841 2.5531 0.45511 -1.3889 2.4802e+05 2024-05-17 18:16:20,297 INFO [main.py:798]
{rank 0/64} MD step = 123800 step time: 00:00:00.346656 Performance: 25.495 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:16:53,857 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 91.491 -18879 10028 -28907 -28907 2.5549 0.4529 -1.3902 2.4819e+05 2024-05-17 18:17:28,036 INFO [main.py:798]
{rank 0/64} MD step = 123900 step time: 00:00:00.377707 Performance: 25.495 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:18:11,828 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 89.804 -19026 9842.6 -28869 -28869 2.556 0.4524 -1.3926 2.4839e+05 2024-05-17 18:18:58,258 INFO [main.py:798]
{rank 0/64} MD step = 124000 step time: 00:00:00.339125 Performance: 25.488 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:19:20,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124000 24800 88.921 -19295 9745.9 -29041 -29041 2.5577 0.45167 -1.3941 2.4854e+05 2024-05-17 18:19:59,976 INFO [main.py:798]
{rank 0/64} MD step = 124100 step time: 00:00:00.351741 Performance: 25.490 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:21:10,239 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 88.218 -19163 9668.8 -28832 -28832 2.5589 0.45062 -1.3951 2.4876e+05 2024-05-17 18:21:45,368 INFO [main.py:798]
{rank 0/64} MD step = 124200 step time: 00:00:00.349156 Performance: 25.479 ns/day 0.942 hours/ns 1.474 steps/s 2024-05-17 18:22:07,887 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 89.071 -19039 9762.3 -28802 -28802 2.5618 0.44936 -1.3958 2.4891e+05 2024-05-17 18:22:42,346 INFO [main.py:798]
{rank 0/64} MD step = 124300 step time: 00:00:00.336093 Performance: 25.482 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:23:07,517 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 89.958 -18794 9859.6 -28653 -28653 2.5632 0.44844 -1.3962 2.4915e+05 2024-05-17 18:23:42,342 INFO [main.py:798]
{rank 0/64} MD step = 124400 step time: 00:00:00.353126 Performance: 25.484 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:24:01,252 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 90.015 -18853 9865.7 -28718 -28718 2.5641 0.44658 -1.3997 2.4933e+05 2024-05-17 18:24:36,158 INFO [main.py:798]
{rank 0/64} MD step = 124500 step time: 00:00:00.361072 Performance: 25.488 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:25:41,244 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 90.063 -18833 9871 -28704 -28704 2.5659 0.44524 -1.4013 2.4954e+05 2024-05-17 18:26:17,415 INFO [main.py:798]
{rank 0/64} MD step = 124600 step time: 00:00:00.352616 Performance: 25.478 ns/day 0.942 hours/ns 1.474 steps/s 2024-05-17 18:26:39,630 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 90.221 -18731 9888.3 -28619 -28619 2.5686 0.44366 -1.4041 2.4978e+05 2024-05-17 18:27:15,621 INFO [main.py:798]
{rank 0/64} MD step = 124700 step time: 00:00:00.341899 Performance: 25.481 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:27:30,428 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 88.808 -18929 9733.5 -28663 -28663 2.5699 0.44262 -1.4067 2.4994e+05 2024-05-17 18:28:04,959 INFO [main.py:798]
{rank 0/64} MD step = 124800 step time: 00:00:00.372667 Performance: 25.487 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:28:26,978 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 89.635 -18757 9824.1 -28581 -28581 2.5685 0.44025 -1.4094 2.5016e+05 2024-05-17 18:29:01,423 INFO [main.py:798]
{rank 0/64} MD step = 124900 step time: 00:00:00.358384 Performance: 25.490 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:29:15,732 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 91.208 -18633 9996.5 -28629 -28629 2.5705 0.43966 -1.411 2.5033e+05 2024-05-17 18:29:51,690 INFO [main.py:798]
{rank 0/64} MD step = 125000 step time: 00:00:00.340317 Performance: 25.495 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:31:04,671 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 91.024 -18937 9976.4 -28913 -28913 2.5713 0.43765 -1.4123 2.5048e+05 2024-05-17 18:31:39,706 INFO [main.py:798]
{rank 0/64} MD step = 125100 step time: 00:00:00.343800 Performance: 25.483 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:32:50,744 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 89.713 -18975 9832.7 -28807 -28807 2.5732 0.43667 -1.4148 2.5067e+05 2024-05-17 18:33:25,743 INFO [main.py:798]
{rank 0/64} MD step = 125200 step time: 00:00:00.358180 Performance: 25.472 ns/day 0.942 hours/ns 1.474 steps/s 2024-05-17 18:33:57,816 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 89.581 -19027 9818.2 -28845 -28845 2.5751 0.43507 -1.4166 2.5091e+05 2024-05-17 18:34:32,391 INFO [main.py:798]
{rank 0/64} MD step = 125300 step time: 00:00:00.353593 Performance: 25.472 ns/day 0.942 hours/ns 1.474 steps/s 2024-05-17 18:34:56,978 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 91.281 -18720 10005 -28725 -28725 2.5761 0.43343 -1.4183 2.5114e+05 2024-05-17 18:35:35,211 INFO [main.py:798]
{rank 0/64} MD step = 125400 step time: 00:00:00.381686 Performance: 25.474 ns/day 0.942 hours/ns 1.474 steps/s 2024-05-17 18:35:45,083 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 90.097 -18989 9874.7 -28864 -28864 2.5773 0.43231 -1.4209 2.5134e+05 2024-05-17 18:36:20,508 INFO [main.py:798]
{rank 0/64} MD step = 125500 step time: 00:00:00.331823 Performance: 25.480 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:36:35,316 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 89.192 -19144 9775.5 -28919 -28919 2.5766 0.43023 -1.4224 2.5151e+05 2024-05-17 18:37:10,604 INFO [main.py:798]
{rank 0/64} MD step = 125600 step time: 00:00:00.351029 Performance: 25.486 ns/day 0.942 hours/ns 1.475 steps/s 2024-05-17 18:37:16,756 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 89.092 -19032 9764.6 -28796 -28796 2.5758 0.42859 -1.4238 2.5171e+05 2024-05-17 18:37:55,377 INFO [main.py:798]
{rank 0/64} MD step = 125700 step time: 00:00:00.331236 Performance: 25.493 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:38:18,762 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 90.454 -18718 9913.8 -28631 -28631 2.5779 0.42664 -1.423 2.5196e+05 2024-05-17 18:38:52,601 INFO [main.py:798]
{rank 0/64} MD step = 125800 step time: 00:00:00.344985 Performance: 25.496 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:39:31,622 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 88.858 -19076 9738.9 -28815 -28815 2.5793 0.4254 -1.4249 2.5214e+05 2024-05-17 18:40:06,614 INFO [main.py:798]
{rank 0/64} MD step = 125900 step time: 00:00:00.351781 Performance: 25.494 ns/day 0.941 hours/ns 1.475 steps/s 2024-05-17 18:40:13,064 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 91.818 -18858 10063 -28922 -28922 2.5802 0.42379 -1.4265 2.5237e+05 2024-05-17 18:40:49,906 INFO [main.py:798]
{rank 0/64} MD step = 126000 step time: 00:00:00.368480 Performance: 25.501 ns/day 0.941 hours/ns 1.476 steps/s 2024-05-17 18:41:05,193 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 90.018 -18837 9866.1 -28703 -28703 2.5819 0.4213 -1.4258 2.5259e+05 2024-05-17 18:41:40,735 INFO [main.py:798]
{rank 0/64} MD step = 126100 step time: 00:00:00.372987 Performance: 25.506 ns/day 0.941 hours/ns 1.476 steps/s 2024-05-17 18:41:54,590 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 89.704 -19053 9831.7 -28884 -28884 2.5825 0.41898 -1.4269 2.5275e+05 2024-05-17 18:42:29,200 INFO [main.py:798]
{rank 0/64} MD step = 126200 step time: 00:00:00.336532 Performance: 25.512 ns/day 0.941 hours/ns 1.476 steps/s 2024-05-17 18:42:40,009 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 89.194 -19055 9775.7 -28830 -28830 2.5841 0.41735 -1.4278 2.5294e+05 2024-05-17 18:43:14,764 INFO [main.py:798]
{rank 0/64} MD step = 126300 step time: 00:00:00.370872 Performance: 25.519 ns/day 0.940 hours/ns 1.477 steps/s 2024-05-17 18:43:34,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126300 25260 90.105 -18976 9875.6 -28852 -28852 2.5847 0.41447 -1.4304 2.5314e+05 2024-05-17 18:44:08,696 INFO [main.py:798]
{rank 0/64} MD step = 126400 step time: 00:00:00.355301 Performance: 25.523 ns/day 0.940 hours/ns 1.477 steps/s 2024-05-17 18:44:23,307 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 90.153 -18814 9880.9 -28695 -28695 2.5874 0.4129 -1.4329 2.5337e+05 2024-05-17 18:44:59,700 INFO [main.py:798]
{rank 0/64} MD step = 126500 step time: 00:00:00.338837 Performance: 25.528 ns/day 0.940 hours/ns 1.477 steps/s 2024-05-17 18:45:12,758 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 89.978 -18986 9861.7 -28848 -28848 2.5892 0.41145 -1.4351 2.5352e+05 2024-05-17 18:45:47,520 INFO [main.py:798]
{rank 0/64} MD step = 126600 step time: 00:00:00.329599 Performance: 25.534 ns/day 0.940 hours/ns 1.478 steps/s 2024-05-17 18:46:09,147 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 90.829 -19012 9955 -28967 -28967 2.5908 0.4096 -1.4378 2.5372e+05 2024-05-17 18:46:43,476 INFO [main.py:798]
{rank 0/64} MD step = 126700 step time: 00:00:00.341319 Performance: 25.537 ns/day 0.940 hours/ns 1.478 steps/s 2024-05-17 18:47:02,269 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 90.943 -18742 9967.5 -28710 -28710 2.5926 0.40969 -1.4399 2.5393e+05 2024-05-17 18:47:37,164 INFO [main.py:798]
{rank 0/64} MD step = 126800 step time: 00:00:00.352501 Performance: 25.541 ns/day 0.940 hours/ns 1.478 steps/s 2024-05-17 18:47:51,464 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 89.236 -19255 9780.4 -29036 -29036 2.5926 0.4088 -1.4407 2.5412e+05 2024-05-17 18:48:26,650 INFO [main.py:798]
{rank 0/64} MD step = 126900 step time: 00:00:00.331949 Performance: 25.547 ns/day 0.939 hours/ns 1.478 steps/s 2024-05-17 18:48:37,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126900 25380 90.561 -18946 9925.6 -28871 -28871 2.594 0.40664 -1.4418 2.5438e+05 2024-05-17 18:49:13,671 INFO [main.py:798]
{rank 0/64} MD step = 127000 step time: 00:00:00.378984 Performance: 25.553 ns/day 0.939 hours/ns 1.479 steps/s 2024-05-17 18:49:26,443 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 90.294 -18726 9896.3 -28623 -28623 2.5951 0.40551 -1.4425 2.5458e+05 2024-05-17 18:50:01,197 INFO [main.py:798]
{rank 0/64} MD step = 127100 step time: 00:00:00.354166 Performance: 25.559 ns/day 0.939 hours/ns 1.479 steps/s 2024-05-17 18:50:10,138 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 89.397 -18970 9798 -28768 -28768 2.5992 0.40487 -1.4443 2.5477e+05 2024-05-17 18:50:45,855 INFO [main.py:798]
{rank 0/64} MD step = 127200 step time: 00:00:00.375531 Performance: 25.566 ns/day 0.939 hours/ns 1.479 steps/s 2024-05-17 18:51:00,328 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 90.793 -18760 9951 -28711 -28711 2.6005 0.40268 -1.4488 2.5498e+05 2024-05-17 18:51:35,187 INFO [main.py:798]
{rank 0/64} MD step = 127300 step time: 00:00:00.367625 Performance: 25.571 ns/day 0.939 hours/ns 1.480 steps/s 2024-05-17 18:52:26,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127300 25460 88.095 -18897 9655.3 -28552 -28552 2.6007 0.40265 -1.4487 2.5519e+05 2024-05-17 18:53:10,571 INFO [main.py:798]
{rank 0/64} MD step = 127400 step time: 00:00:00.386776 Performance: 25.563 ns/day 0.939 hours/ns 1.479 steps/s 2024-05-17 18:53:19,994 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 90.51 -18879 9920 -28799 -28799 2.6025 0.40259 -1.4501 2.5535e+05 2024-05-17 18:53:57,175 INFO [main.py:798]
{rank 0/64} MD step = 127500 step time: 00:00:00.340665 Performance: 25.569 ns/day 0.939 hours/ns 1.480 steps/s 2024-05-17 18:54:36,069 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 89.878 -18690 9850.7 -28541 -28541 2.6045 0.40182 -1.4529 2.5561e+05 2024-05-17 18:55:11,196 INFO [main.py:798]
{rank 0/64} MD step = 127600 step time: 00:00:00.356459 Performance: 25.567 ns/day 0.939 hours/ns 1.480 steps/s 2024-05-17 18:55:40,393 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 89.479 -19045 9807 -28852 -28852 2.6068 0.40094 -1.454 2.5577e+05 2024-05-17 18:56:19,760 INFO [main.py:798]
{rank 0/64} MD step = 127700 step time: 00:00:00.362004 Performance: 25.567 ns/day 0.939 hours/ns 1.480 steps/s 2024-05-17 18:56:36,865 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 88.944 -19032 9748.4 -28780 -28780 2.6088 0.40187 -1.4551 2.5595e+05 2024-05-17 18:57:13,083 INFO [main.py:798]
{rank 0/64} MD step = 127800 step time: 00:00:00.363388 Performance: 25.571 ns/day 0.939 hours/ns 1.480 steps/s 2024-05-17 18:57:33,502 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 91.028 -18605 9976.8 -28582 -28582 2.6114 0.4012 -1.4561 2.5622e+05 2024-05-17 18:58:08,715 INFO [main.py:798]
{rank 0/64} MD step = 127900 step time: 00:00:00.326522 Performance: 25.575 ns/day 0.938 hours/ns 1.480 steps/s 2024-05-17 18:58:50,880 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 88.788 -19007 9731.3 -28738 -28738 2.6145 0.40089 -1.4559 2.5633e+05 2024-05-17 19:00:01,808 INFO [main.py:798]
{rank 0/64} MD step = 128000 step time: 00:00:00.363383 Performance: 25.561 ns/day 0.939 hours/ns 1.479 steps/s 2024-05-17 19:00:21,020 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 90.965 -18836 9969.8 -28806 -28806 2.6162 0.40214 -1.4578 2.5655e+05 2024-05-17 19:00:55,851 INFO [main.py:798]
{rank 0/64} MD step = 128100 step time: 00:00:00.362782 Performance: 25.565 ns/day 0.939 hours/ns 1.479 steps/s 2024-05-17 19:01:08,045 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 90.87 -18983 9959.5 -28943 -28943 2.6189 0.40054 -1.4587 2.5673e+05 2024-05-17 19:01:42,344 INFO [main.py:798]
{rank 0/64} MD step = 128200 step time: 00:00:00.355234 Performance: 25.571 ns/day 0.939 hours/ns 1.480 steps/s 2024-05-17 19:02:03,078 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 89.399 -19075 9798.3 -28873 -28873 2.6211 0.3995 -1.4601 2.5692e+05 2024-05-17 19:02:39,123 INFO [main.py:798]
{rank 0/64} MD step = 128300 step time: 00:00:00.340602 Performance: 25.575 ns/day 0.938 hours/ns 1.480 steps/s 2024-05-17 19:02:55,522 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 89.229 -19277 9779.6 -29056 -29056 2.6236 0.39648 -1.4627 2.5707e+05 2024-05-17 19:03:31,381 INFO [main.py:798]
{rank 0/64} MD step = 128400 step time: 00:00:00.351622 Performance: 25.579 ns/day 0.938 hours/ns 1.480 steps/s 2024-05-17 19:03:43,009 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 90.674 -18924 9938 -28862 -28862 2.6263 0.39488 -1.4634 2.5731e+05 2024-05-17 19:04:17,940 INFO [main.py:798]
{rank 0/64} MD step = 128500 step time: 00:00:00.327675 Performance: 25.585 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:04:46,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128500 25700 90.514 -19057 9920.5 -28977 -28977 2.6276 0.39315 -1.4633 2.5752e+05 2024-05-17 19:05:22,130 INFO [main.py:798]
{rank 0/64} MD step = 128600 step time: 00:00:00.339011 Performance: 25.586 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:05:39,275 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 90.679 -18862 9938.5 -28800 -28800 2.6291 0.3928 -1.4666 2.5775e+05 2024-05-17 19:06:14,476 INFO [main.py:798]
{rank 0/64} MD step = 128700 step time: 00:00:00.339181 Performance: 25.591 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:06:45,709 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 89.308 -19179 9788.3 -28968 -28968 2.6312 0.3905 -1.4672 2.5795e+05 2024-05-17 19:07:21,964 INFO [main.py:798]
{rank 0/64} MD step = 128800 step time: 00:00:00.348561 Performance: 25.591 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:07:39,445 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 89.142 -19068 9770 -28838 -28838 2.6329 0.38814 -1.4684 2.5817e+05 2024-05-17 19:08:14,108 INFO [main.py:798]
{rank 0/64} MD step = 128900 step time: 00:00:00.347708 Performance: 25.595 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:08:29,782 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 90.057 -19131 9870.4 -29001 -29001 2.6347 0.38645 -1.4703 2.5835e+05 2024-05-17 19:09:06,925 INFO [main.py:798]
{rank 0/64} MD step = 129000 step time: 00:00:00.361575 Performance: 25.600 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:09:36,998 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 90.981 -18835 9971.6 -28807 -28807 2.636 0.38477 -1.4719 2.5858e+05 2024-05-17 19:10:11,772 INFO [main.py:798]
{rank 0/64} MD step = 129100 step time: 00:00:00.345423 Performance: 25.600 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-17 19:11:15,600 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 89.221 -19099 9778.8 -28877 -28877 2.6388 0.38454 -1.4742 2.5876e+05 2024-05-17 19:12:03,567 INFO [main.py:798]
{rank 0/64} MD step = 129200 step time: 00:00:00.345314 Performance: 25.587 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:12:14,503 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 90.721 -19000 9943.1 -28944 -28944 2.6383 0.38251 -1.4745 2.5895e+05 2024-05-17 19:12:48,943 INFO [main.py:798]
{rank 0/64} MD step = 129300 step time: 00:00:00.357785 Performance: 25.594 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:13:06,601 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 88.561 -19061 9706.4 -28767 -28767 2.6398 0.37894 -1.4774 2.5917e+05 2024-05-17 19:13:41,686 INFO [main.py:798]
{rank 0/64} MD step = 129400 step time: 00:00:00.344268 Performance: 25.598 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:14:52,548 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 89.698 -18732 9831 -28563 -28563 2.6392 0.37737 -1.4804 2.5943e+05 2024-05-17 19:15:27,536 INFO [main.py:798]
{rank 0/64} MD step = 129500 step time: 00:00:00.348272 Performance: 25.587 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:15:41,708 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 90.503 -18832 9919.2 -28752 -28752 2.6417 0.37717 -1.4834 2.5956e+05 2024-05-17 19:16:16,396 INFO [main.py:798]
{rank 0/64} MD step = 129600 step time: 00:00:00.350533 Performance: 25.592 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:16:33,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129600 25920 89.469 -19096 9806 -28902 -28902 2.6442 0.37686 -1.4843 2.5974e+05 2024-05-17 19:17:12,135 INFO [main.py:798]
{rank 0/64} MD step = 129700 step time: 00:00:00.358274 Performance: 25.596 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-17 19:17:26,923 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 89.07 -18996 9762.2 -28758 -28758 2.6451 0.37754 -1.4863 2.5994e+05 2024-05-17 19:18:01,362 INFO [main.py:798]
{rank 0/64} MD step = 129800 step time: 00:00:00.334694 Performance: 25.601 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-17 19:18:12,751 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 88.789 -19150 9731.4 -28882 -28882 2.6469 0.37657 -1.4879 2.6012e+05 2024-05-17 19:18:47,775 INFO [main.py:798]
{rank 0/64} MD step = 129900 step time: 00:00:00.347659 Performance: 25.607 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-17 19:19:05,130 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 89.157 -19074 9771.7 -28845 -28845 2.648 0.37654 -1.4884 2.6033e+05 2024-05-17 19:19:40,013 INFO [main.py:798]
{rank 0/64} MD step = 130000 step time: 00:00:00.336131 Performance: 25.612 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-17 19:20:25,902 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 90.491 -18992 9918 -28910 -28910 2.6485 0.37593 -1.4899 2.6053e+05 2024-05-17 19:21:00,560 INFO [main.py:798]
{rank 0/64} MD step = 130100 step time: 00:00:00.352111 Performance: 25.608 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-17 19:21:28,250 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 89.447 -19216 9803.5 -29019 -29019 2.6505 0.37547 -1.4929 2.6073e+05 2024-05-17 19:22:02,988 INFO [main.py:798]
{rank 0/64} MD step = 130200 step time: 00:00:00.344499 Performance: 25.610 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-17 19:22:14,465 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 89.732 -19234 9834.7 -29068 -29068 2.6516 0.37431 -1.4935 2.6089e+05 2024-05-17 19:22:49,458 INFO [main.py:798]
{rank 0/64} MD step = 130300 step time: 00:00:00.347655 Performance: 25.616 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-17 19:22:55,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 26060 89.802 -19032 9842.4 -28874 -28874 2.6513 0.3729 -1.4956 2.6115e+05 2024-05-17 19:23:33,717 INFO [main.py:798]
{rank 0/64} MD step = 130400 step time: 00:00:00.353280 Performance: 25.622 ns/day 0.937 hours/ns 1.483 steps/s 2024-05-17 19:23:46,683 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 90.897 -19036 9962.4 -28998 -28998 2.6536 0.37248 -1.4968 2.6135e+05 2024-05-17 19:24:21,836 INFO [main.py:798]
{rank 0/64} MD step = 130500 step time: 00:00:00.372776 Performance: 25.628 ns/day 0.936 hours/ns 1.483 steps/s 2024-05-17 19:24:47,373 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 91.046 -18915 9978.8 -28893 -28893 2.6548 0.37162 -1.4977 2.6156e+05 2024-05-17 19:25:23,522 INFO [main.py:798]
{rank 0/64} MD step = 130600 step time: 00:00:00.327180 Performance: 25.630 ns/day 0.936 hours/ns 1.483 steps/s 2024-05-17 19:25:28,895 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 89.151 -19142 9771.1 -28913 -28913 2.6562 0.37071 -1.4999 2.6175e+05 2024-05-17 19:26:04,404 INFO [main.py:798]
{rank 0/64} MD step = 130700 step time: 00:00:00.353764 Performance: 25.637 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-17 19:26:20,084 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 91.034 -19041 9977.4 -29018 -29018 2.6583 0.36945 -1.5006 2.6192e+05 2024-05-17 19:26:54,512 INFO [main.py:798]
{rank 0/64} MD step = 130800 step time: 00:00:00.344113 Performance: 25.642 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-17 19:27:11,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130800 26160 89.304 -19090 9787.9 -28878 -28878 2.6594 0.36749 -1.5034 2.6218e+05 2024-05-17 19:27:48,817 INFO [main.py:798]
{rank 0/64} MD step = 130900 step time: 00:00:00.352606 Performance: 25.646 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-17 19:28:01,730 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 90.529 -19127 9922.1 -29049 -29049 2.6611 0.36629 -1.5062 2.6232e+05 2024-05-17 19:28:36,318 INFO [main.py:798]
{rank 0/64} MD step = 131000 step time: 00:00:00.355303 Performance: 25.652 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-17 19:28:59,270 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 89.105 -19147 9766 -28913 -28913 2.6632 0.36459 -1.5078 2.6254e+05 2024-05-17 19:29:33,765 INFO [main.py:798]
{rank 0/64} MD step = 131100 step time: 00:00:00.331543 Performance: 25.655 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:29:58,755 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 89.525 -19242 9812 -29054 -29054 2.6651 0.36162 -1.5086 2.6274e+05 2024-05-17 19:30:33,431 INFO [main.py:798]
{rank 0/64} MD step = 131200 step time: 00:00:00.362072 Performance: 25.657 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:30:53,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131200 26240 89.885 -18957 9851.5 -28809 -28809 2.6653 0.36204 -1.5087 2.6294e+05 2024-05-17 19:31:31,568 INFO [main.py:798]
{rank 0/64} MD step = 131300 step time: 00:00:00.335278 Performance: 25.660 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:31:55,885 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 90.019 -19094 9866.2 -28961 -28961 2.664 0.36092 -1.5095 2.6313e+05 2024-05-17 19:32:30,961 INFO [main.py:798]
{rank 0/64} MD step = 131400 step time: 00:00:00.355657 Performance: 25.662 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:32:54,046 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 90.175 -19110 9883.3 -28993 -28993 2.6641 0.35654 -1.5109 2.6328e+05 2024-05-17 19:33:29,506 INFO [main.py:798]
{rank 0/64} MD step = 131500 step time: 00:00:00.351415 Performance: 25.665 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:33:42,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131500 26300 89.419 -19453 9800.4 -29254 -29254 2.6653 0.35509 -1.5136 2.6347e+05 2024-05-17 19:34:17,474 INFO [main.py:798]
{rank 0/64} MD step = 131600 step time: 00:00:00.331810 Performance: 25.670 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:34:27,200 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 91.523 -18919 10031 -28950 -28950 2.6653 0.35278 -1.5145 2.637e+05 2024-05-17 19:35:02,730 INFO [main.py:798]
{rank 0/64} MD step = 131700 step time: 00:00:00.334604 Performance: 25.677 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:35:18,970 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 89.505 -19135 9809.9 -28945 -28945 2.6676 0.35158 -1.5178 2.6388e+05 2024-05-17 19:36:10,505 INFO [main.py:798]
{rank 0/64} MD step = 131800 step time: 00:00:00.350150 Performance: 25.677 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:36:34,780 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 90.982 -19084 9971.8 -29056 -29056 2.6678 0.35064 -1.5209 2.6408e+05 2024-05-17 19:37:09,790 INFO [main.py:798]
{rank 0/64} MD step = 131900 step time: 00:00:00.376122 Performance: 25.679 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:37:58,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131900 26380 89.326 -19352 9790.3 -29142 -29142 2.6699 0.34799 -1.5217 2.6424e+05 2024-05-17 19:38:33,551 INFO [main.py:798]
{rank 0/64} MD step = 132000 step time: 00:00:00.344863 Performance: 25.674 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:38:41,141 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 89.638 -19252 9824.4 -29076 -29076 2.6701 0.34558 -1.5218 2.6446e+05 2024-05-17 19:39:16,141 INFO [main.py:798]
{rank 0/64} MD step = 132100 step time: 00:00:00.346359 Performance: 25.681 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:40:01,396 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 88.827 -19293 9735.6 -29028 -29028 2.6708 0.34389 -1.523 2.6469e+05 2024-05-17 19:40:40,195 INFO [main.py:798]
{rank 0/64} MD step = 132200 step time: 00:00:00.341044 Performance: 25.676 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:40:58,974 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 89.323 -19079 9789.9 -28869 -28869 2.6711 0.3429 -1.5245 2.6486e+05 2024-05-17 19:41:33,796 INFO [main.py:798]
{rank 0/64} MD step = 132300 step time: 00:00:00.387719 Performance: 25.680 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:43:20,659 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 89.443 -19229 9803 -29032 -29032 2.6719 0.34116 -1.5253 2.6507e+05 2024-05-17 19:43:55,288 INFO [main.py:798]
{rank 0/64} MD step = 132400 step time: 00:00:00.353650 Performance: 25.659 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:44:38,617 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 89.862 -19273 9849 -29122 -29122 2.674 0.33916 -1.5263 2.6524e+05 2024-05-17 19:45:13,174 INFO [main.py:798]
{rank 0/64} MD step = 132500 step time: 00:00:00.355922 Performance: 25.656 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:45:39,163 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 89.706 -18917 9831.9 -28749 -28749 2.6747 0.3377 -1.5279 2.6549e+05 2024-05-17 19:46:14,145 INFO [main.py:798]
{rank 0/64} MD step = 132600 step time: 00:00:00.347693 Performance: 25.658 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:46:29,836 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 89.542 -18912 9813.9 -28726 -28726 2.6746 0.33701 -1.5291 2.6568e+05 2024-05-17 19:47:04,418 INFO [main.py:798]
{rank 0/64} MD step = 132700 step time: 00:00:00.337187 Performance: 25.663 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:47:25,824 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 90.315 -18893 9898.6 -28792 -28792 2.6749 0.33438 -1.5317 2.6589e+05 2024-05-17 19:48:01,130 INFO [main.py:798]
{rank 0/64} MD step = 132800 step time: 00:00:00.340536 Performance: 25.666 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:48:29,094 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 91.649 -19073 10045 -29118 -29118 2.6755 0.33377 -1.5345 2.6607e+05 2024-05-17 19:49:04,234 INFO [main.py:798]
{rank 0/64} MD step = 132900 step time: 00:00:00.350366 Performance: 25.667 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:49:27,415 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 90.834 -19099 9955.5 -29054 -29054 2.679 0.3323 -1.5361 2.6622e+05 2024-05-17 19:50:02,030 INFO [main.py:798]
{rank 0/64} MD step = 133000 step time: 00:00:00.355197 Performance: 25.670 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:50:30,326 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 89.448 -18905 9803.6 -28709 -28709 2.6765 0.33146 -1.5384 2.6647e+05 2024-05-17 19:51:06,575 INFO [main.py:798]
{rank 0/64} MD step = 133100 step time: 00:00:00.347259 Performance: 25.670 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:51:27,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133100 26620 89.143 -19375 9770.1 -29145 -29145 2.6766 0.33128 -1.5395 2.6661e+05 2024-05-17 19:52:02,531 INFO [main.py:798]
{rank 0/64} MD step = 133200 step time: 00:00:00.346142 Performance: 25.674 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:52:36,221 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 91.208 -18964 9996.5 -28960 -28960 2.6758 0.33009 -1.5415 2.6682e+05 2024-05-17 19:53:12,628 INFO [main.py:798]
{rank 0/64} MD step = 133300 step time: 00:00:00.328957 Performance: 25.673 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:53:45,240 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 89.698 -19142 9831 -28973 -28973 2.6754 0.32851 -1.5434 2.6703e+05 2024-05-17 19:54:20,385 INFO [main.py:798]
{rank 0/64} MD step = 133400 step time: 00:00:00.355289 Performance: 25.673 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:54:39,003 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 89.829 -19075 9845.3 -28920 -28920 2.6754 0.32669 -1.5455 2.6723e+05 2024-05-17 19:55:13,762 INFO [main.py:798]
{rank 0/64} MD step = 133500 step time: 00:00:00.335585 Performance: 25.677 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 19:56:49,671 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 90.833 -19132 9955.5 -29088 -29088 2.677 0.32642 -1.5444 2.674e+05 2024-05-17 19:57:26,018 INFO [main.py:798]
{rank 0/64} MD step = 133600 step time: 00:00:00.367582 Performance: 25.658 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:57:51,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133600 26720 89.205 -19078 9776.9 -28855 -28855 2.6788 0.32554 -1.5456 2.676e+05 2024-05-17 19:58:27,537 INFO [main.py:798]
{rank 0/64} MD step = 133700 step time: 00:00:00.338379 Performance: 25.660 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:58:58,408 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 90.165 -19109 9882.2 -28992 -28992 2.6812 0.32356 -1.5474 2.6782e+05 2024-05-17 19:59:35,546 INFO [main.py:798]
{rank 0/64} MD step = 133800 step time: 00:00:00.343572 Performance: 25.660 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 19:59:55,772 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 91.892 -18905 10072 -28976 -28976 2.6831 0.32275 -1.5479 2.6801e+05 2024-05-17 20:00:29,694 INFO [main.py:798]
{rank 0/64} MD step = 133900 step time: 00:00:00.329338 Performance: 25.663 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:01:01,066 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 88.557 -19111 9706 -28817 -28817 2.6848 0.32164 -1.5485 2.6821e+05 2024-05-17 20:01:46,945 INFO [main.py:798]
{rank 0/64} MD step = 134000 step time: 00:00:00.352405 Performance: 25.661 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:02:00,596 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 91.741 -18890 10055 -28945 -28945 2.6876 0.31968 -1.5499 2.6843e+05 2024-05-17 20:02:35,511 INFO [main.py:798]
{rank 0/64} MD step = 134100 step time: 00:00:00.353439 Performance: 25.666 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:02:47,619 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 89.985 -19124 9862.5 -28987 -28987 2.6894 0.32 -1.5511 2.6859e+05 2024-05-17 20:03:22,283 INFO [main.py:798]
{rank 0/64} MD step = 134200 step time: 00:00:00.357859 Performance: 25.672 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:03:57,284 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 90.637 -18912 9933.9 -28846 -28846 2.6931 0.31937 -1.5533 2.6877e+05 2024-05-17 20:04:32,077 INFO [main.py:798]
{rank 0/64} MD step = 134300 step time: 00:00:00.340815 Performance: 25.671 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:05:29,925 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 90.348 -18752 9902.3 -28654 -28654 2.6947 0.31819 -1.5554 2.6902e+05 2024-05-17 20:06:05,021 INFO [main.py:798]
{rank 0/64} MD step = 134400 step time: 00:00:00.331172 Performance: 25.664 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:06:22,758 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 90.254 -18832 9891.9 -28724 -28724 2.6965 0.31809 -1.5564 2.692e+05 2024-05-17 20:06:57,265 INFO [main.py:798]
{rank 0/64} MD step = 134500 step time: 00:00:00.343015 Performance: 25.668 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:07:18,689 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 91.317 -18842 10008 -28851 -28851 2.6979 0.31693 -1.5575 2.694e+05 2024-05-17 20:07:53,359 INFO [main.py:798]
{rank 0/64} MD step = 134600 step time: 00:00:00.364916 Performance: 25.671 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:08:01,823 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 90.111 -18699 9876.3 -28575 -28575 2.7024 0.31598 -1.5591 2.6965e+05 2024-05-17 20:08:36,656 INFO [main.py:798]
{rank 0/64} MD step = 134700 step time: 00:00:00.389075 Performance: 25.678 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:09:47,368 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 89.79 -18811 9841 -28652 -28652 2.7045 0.31381 -1.5609 2.6986e+05 2024-05-17 20:10:28,849 INFO [main.py:798]
{rank 0/64} MD step = 134800 step time: 00:00:00.351622 Performance: 25.665 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:11:18,713 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 90.552 -18911 9924.6 -28835 -28835 2.7073 0.31377 -1.5637 2.7004e+05 2024-05-17 20:11:53,663 INFO [main.py:798]
{rank 0/64} MD step = 134900 step time: 00:00:00.388032 Performance: 25.660 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:12:10,172 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 91.05 -18518 9979.2 -28497 -28497 2.7099 0.31442 -1.5654 2.7029e+05 2024-05-17 20:12:45,126 INFO [main.py:798]
{rank 0/64} MD step = 135000 step time: 00:00:00.351038 Performance: 25.665 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:13:10,275 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 89.969 -18750 9860.7 -28611 -28611 2.712 0.31427 -1.5668 2.7045e+05 2024-05-17 20:13:44,912 INFO [main.py:798]
{rank 0/64} MD step = 135100 step time: 00:00:00.350235 Performance: 25.667 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:14:14,654 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 90.442 -18877 9912.5 -28789 -28789 2.7145 0.31452 -1.5673 2.7062e+05 2024-05-17 20:14:49,989 INFO [main.py:798]
{rank 0/64} MD step = 135200 step time: 00:00:00.368153 Performance: 25.668 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:15:32,787 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 88.612 -18921 9712 -28633 -28633 2.7162 0.31364 -1.5684 2.7085e+05 2024-05-17 20:16:06,763 INFO [main.py:798]
{rank 0/64} MD step = 135300 step time: 00:00:00.356492 Performance: 25.665 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:16:37,939 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 91.259 -18812 10002 -28814 -28814 2.7204 0.31339 -1.5705 2.7103e+05 2024-05-17 20:17:13,693 INFO [main.py:798]
{rank 0/64} MD step = 135400 step time: 00:00:00.355914 Performance: 25.665 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:17:43,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135400 27080 89.442 -18909 9803 -28712 -28712 2.7221 0.31255 -1.572 2.7119e+05 2024-05-17 20:18:18,125 INFO [main.py:798]
{rank 0/64} MD step = 135500 step time: 00:00:00.358285 Performance: 25.666 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:18:44,010 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 90.419 -18885 9910 -28795 -28795 2.7244 0.31216 -1.5721 2.7143e+05 2024-05-17 20:19:19,256 INFO [main.py:798]
{rank 0/64} MD step = 135600 step time: 00:00:00.362428 Performance: 25.668 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:19:49,205 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 89.048 -19027 9759.7 -28787 -28787 2.7264 0.3117 -1.5727 2.7159e+05 2024-05-17 20:20:25,250 INFO [main.py:798]
{rank 0/64} MD step = 135700 step time: 00:00:00.373522 Performance: 25.668 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:21:20,639 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 89.318 -18954 9789.3 -28743 -28743 2.7297 0.30887 -1.5751 2.7184e+05 2024-05-17 20:21:55,401 INFO [main.py:798]
{rank 0/64} MD step = 135800 step time: 00:00:00.360812 Performance: 25.662 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:22:45,036 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 89.827 -19025 9845.2 -28870 -28870 2.7315 0.30771 -1.5761 2.7204e+05 2024-05-17 20:23:21,297 INFO [main.py:798]
{rank 0/64} MD step = 135900 step time: 00:00:00.340092 Performance: 25.656 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:23:57,933 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 90.572 -18645 9926.8 -28572 -28572 2.7339 0.30558 -1.5773 2.7225e+05 2024-05-17 20:24:32,266 INFO [main.py:798]
{rank 0/64} MD step = 136000 step time: 00:00:00.354379 Performance: 25.655 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:25:15,739 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 89.952 -18957 9858.8 -28816 -28816 2.7378 0.30497 -1.579 2.724e+05 2024-05-17 20:25:52,472 INFO [main.py:798]
{rank 0/64} MD step = 136100 step time: 00:00:00.342389 Performance: 25.652 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-17 20:26:16,164 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 90.198 -18683 9885.8 -28569 -28569 2.7402 0.30425 -1.5807 2.7265e+05 2024-05-17 20:26:50,667 INFO [main.py:798]
{rank 0/64} MD step = 136200 step time: 00:00:00.329390 Performance: 25.654 ns/day 0.936 hours/ns 1.485 steps/s 2024-05-17 20:27:03,908 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 90.808 -18753 9952.6 -28706 -28706 2.7446 0.30278 -1.5826 2.7282e+05 2024-05-17 20:27:39,942 INFO [main.py:798]
{rank 0/64} MD step = 136300 step time: 00:00:00.353733 Performance: 25.659 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:27:51,414 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 89.832 -19015 9845.7 -28861 -28861 2.7482 0.30088 -1.5836 2.7299e+05 2024-05-17 20:28:26,602 INFO [main.py:798]
{rank 0/64} MD step = 136400 step time: 00:00:00.376947 Performance: 25.665 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:28:38,781 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 89.79 -18799 9841.1 -28640 -28640 2.7511 0.29807 -1.5844 2.7324e+05 2024-05-17 20:29:14,845 INFO [main.py:798]
{rank 0/64} MD step = 136500 step time: 00:00:00.360821 Performance: 25.671 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:30:52,318 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 88.616 -18934 9712.4 -28646 -28646 2.7528 0.29739 -1.5842 2.7345e+05 2024-05-17 20:31:30,641 INFO [main.py:798]
{rank 0/64} MD step = 136600 step time: 00:00:00.332454 Performance: 25.651 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-17 20:31:48,667 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 90.719 -18811 9943 -28754 -28754 2.7542 0.2966 -1.5859 2.7366e+05 2024-05-17 20:32:25,141 INFO [main.py:798]
{rank 0/64} MD step = 136700 step time: 00:00:00.387766 Performance: 25.655 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:32:35,054 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 90.187 -18776 9884.6 -28660 -28660 2.7543 0.29538 -1.5878 2.7386e+05 2024-05-17 20:33:10,028 INFO [main.py:798]
{rank 0/64} MD step = 136800 step time: 00:00:00.336899 Performance: 25.661 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:33:18,935 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 90.207 -18537 9886.8 -28424 -28424 2.7563 0.29407 -1.589 2.7409e+05 2024-05-17 20:33:54,315 INFO [main.py:798]
{rank 0/64} MD step = 136900 step time: 00:00:00.341591 Performance: 25.668 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:34:25,606 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 89.485 -18713 9807.7 -28520 -28520 2.7577 0.29255 -1.5896 2.7425e+05 2024-05-17 20:35:01,298 INFO [main.py:798]
{rank 0/64} MD step = 137000 step time: 00:00:00.331705 Performance: 25.668 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:35:24,569 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 90.743 -18648 9945.6 -28594 -28594 2.7603 0.29255 -1.592 2.7447e+05 2024-05-17 20:36:19,874 INFO [main.py:798]
{rank 0/64} MD step = 137100 step time: 00:00:00.329093 Performance: 25.665 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:36:33,330 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 88.965 -18891 9750.6 -28642 -28642 2.7617 0.29255 -1.594 2.7463e+05 2024-05-17 20:37:10,716 INFO [main.py:798]
{rank 0/64} MD step = 137200 step time: 00:00:00.339570 Performance: 25.669 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:37:17,149 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 89.217 -18957 9778.3 -28736 -28736 2.764 0.2908 -1.5954 2.7482e+05 2024-05-17 20:37:52,164 INFO [main.py:798]
{rank 0/64} MD step = 137300 step time: 00:00:00.355160 Performance: 25.676 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:38:03,756 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 90.315 -18742 9898.6 -28641 -28641 2.7666 0.28986 -1.5957 2.7508e+05 2024-05-17 20:38:38,696 INFO [main.py:798]
{rank 0/64} MD step = 137400 step time: 00:00:00.373733 Performance: 25.682 ns/day 0.934 hours/ns 1.486 steps/s 2024-05-17 20:39:22,285 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 89.969 -19040 9860.7 -28901 -28901 2.7684 0.28901 -1.5959 2.752e+05 2024-05-17 20:39:57,348 INFO [main.py:798]
{rank 0/64} MD step = 137500 step time: 00:00:00.382666 Performance: 25.679 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:40:14,735 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 88.2 -19289 9666.8 -28956 -28956 2.7697 0.28708 -1.5965 2.7539e+05 2024-05-17 20:40:49,129 INFO [main.py:798]
{rank 0/64} MD step = 137600 step time: 00:00:00.344598 Performance: 25.683 ns/day 0.934 hours/ns 1.486 steps/s 2024-05-17 20:41:17,518 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 90.506 -18989 9919.6 -28908 -28908 2.7717 0.28605 -1.5985 2.7561e+05 2024-05-17 20:41:55,565 INFO [main.py:798]
{rank 0/64} MD step = 137700 step time: 00:00:00.356199 Performance: 25.684 ns/day 0.934 hours/ns 1.486 steps/s 2024-05-17 20:43:10,379 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 90.693 -18975 9940 -28915 -28915 2.7737 0.2859 -1.5983 2.7581e+05 2024-05-17 20:43:45,192 INFO [main.py:798]
{rank 0/64} MD step = 137800 step time: 00:00:00.353463 Performance: 25.672 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:44:21,251 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 89.791 -19115 9841.2 -28957 -28957 2.7768 0.28449 -1.5993 2.76e+05 2024-05-17 20:44:57,592 INFO [main.py:798]
{rank 0/64} MD step = 137900 step time: 00:00:00.377267 Performance: 25.670 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:46:12,977 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 90.132 -18913 9878.6 -28791 -28791 2.7787 0.28455 -1.5989 2.7623e+05 2024-05-17 20:46:47,959 INFO [main.py:798]
{rank 0/64} MD step = 138000 step time: 00:00:00.361391 Performance: 25.659 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:47:45,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138000 27600 90.073 -19075 9872.1 -28947 -28947 2.7795 0.28272 -1.6011 2.7642e+05 2024-05-17 20:48:19,999 INFO [main.py:798]
{rank 0/64} MD step = 138100 step time: 00:00:00.355289 Performance: 25.652 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-17 20:48:57,360 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 89.822 -18876 9844.7 -28720 -28720 2.7815 0.28091 -1.603 2.7662e+05 2024-05-17 20:49:32,619 INFO [main.py:798]
{rank 0/64} MD step = 138200 step time: 00:00:00.358389 Performance: 25.650 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-17 20:49:53,261 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 89.586 -19051 9818.7 -28870 -28870 2.7853 0.27875 -1.6032 2.7675e+05 2024-05-17 20:50:28,273 INFO [main.py:798]
{rank 0/64} MD step = 138300 step time: 00:00:00.358654 Performance: 25.654 ns/day 0.936 hours/ns 1.485 steps/s 2024-05-17 20:50:43,052 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 90.744 -18870 9945.6 -28815 -28815 2.7859 0.27659 -1.6045 2.7697e+05 2024-05-17 20:51:17,515 INFO [main.py:798]
{rank 0/64} MD step = 138400 step time: 00:00:00.345903 Performance: 25.659 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:51:48,956 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 90.863 -18951 9958.7 -28910 -28910 2.7879 0.27548 -1.6047 2.7712e+05 2024-05-17 20:52:24,188 INFO [main.py:798]
{rank 0/64} MD step = 138500 step time: 00:00:00.343906 Performance: 25.659 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:52:37,152 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 89.096 -18846 9765 -28611 -28611 2.7919 0.27478 -1.605 2.7737e+05 2024-05-17 20:53:12,504 INFO [main.py:798]
{rank 0/64} MD step = 138600 step time: 00:00:00.343506 Performance: 25.664 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:53:25,914 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 90.326 -18819 9899.9 -28719 -28719 2.7942 0.27326 -1.6057 2.7757e+05 2024-05-17 20:54:00,715 INFO [main.py:798]
{rank 0/64} MD step = 138700 step time: 00:00:00.350025 Performance: 25.669 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-17 20:54:22,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138700 27740 90.612 -18879 9931.2 -28810 -28810 2.7976 0.27025 -1.607 2.7779e+05 2024-05-17 20:54:57,893 INFO [main.py:798]
{rank 0/64} MD step = 138800 step time: 00:00:00.338770 Performance: 25.672 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:55:10,781 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 88.667 -19301 9718 -29019 -29019 2.8013 0.26988 -1.6096 2.7792e+05 2024-05-17 20:55:45,101 INFO [main.py:798]
{rank 0/64} MD step = 138900 step time: 00:00:00.344013 Performance: 25.678 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:55:55,916 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 90.653 -19009 9935.7 -28945 -28945 2.8032 0.26969 -1.6097 2.7815e+05 2024-05-17 20:56:30,985 INFO [main.py:798]
{rank 0/64} MD step = 139000 step time: 00:00:00.337921 Performance: 25.683 ns/day 0.934 hours/ns 1.486 steps/s 2024-05-17 20:56:47,937 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 90.132 -18937 9878.5 -28816 -28816 2.803 0.26902 -1.6092 2.784e+05 2024-05-17 20:57:22,762 INFO [main.py:798]
{rank 0/64} MD step = 139100 step time: 00:00:00.337292 Performance: 25.688 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-17 20:58:25,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139100 27820 89.223 -19235 9779 -29014 -29014 2.8063 0.26777 -1.608 2.7853e+05 2024-05-17 20:59:00,641 INFO [main.py:798]
{rank 0/64} MD step = 139200 step time: 00:00:00.349229 Performance: 25.679 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-17 20:59:16,998 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 90.312 -19111 9898.3 -29009 -29009 2.8085 0.26428 -1.6078 2.7871e+05 2024-05-17 20:59:52,643 INFO [main.py:798]
{rank 0/64} MD step = 139300 step time: 00:00:00.387346 Performance: 25.683 ns/day 0.934 hours/ns 1.486 steps/s 2024-05-17 21:00:20,707 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 90.163 -19101 9882 -28983 -28983 2.8114 0.26436 -1.6084 2.7896e+05 2024-05-17 21:01:01,488 INFO [main.py:798]
{rank 0/64} MD step = 139400 step time: 00:00:00.341189 Performance: 25.683 ns/day 0.934 hours/ns 1.486 steps/s 2024-05-17 21:01:20,515 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 90.831 -19100 9955.1 -29055 -29055 2.813 0.26302 -1.6091 2.7919e+05 2024-05-17 21:01:55,221 INFO [main.py:798]
{rank 0/64} MD step = 139500 step time: 00:00:00.344938 Performance: 25.687 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-17 21:02:11,787 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 89.956 -19352 9859.3 -29212 -29212 2.8152 0.26299 -1.61 2.7937e+05 2024-05-17 21:02:47,044 INFO [main.py:798]
{rank 0/64} MD step = 139600 step time: 00:00:00.356832 Performance: 25.691 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-17 21:03:03,239 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 90.275 -19227 9894.2 -29122 -29122 2.8183 0.26198 -1.6124 2.7957e+05 2024-05-17 21:03:37,707 INFO [main.py:798]
{rank 0/64} MD step = 139700 step time: 00:00:00.354710 Performance: 25.696 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-17 21:03:48,203 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 89.737 -19281 9835.3 -29116 -29116 2.8216 0.26104 -1.6128 2.7976e+05 2024-05-17 21:04:23,237 INFO [main.py:798]
{rank 0/64} MD step = 139800 step time: 00:00:00.343634 Performance: 25.701 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-17 21:04:35,151 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 89.786 -19263 9840.7 -29104 -29104 2.824 0.25841 -1.6145 2.7999e+05 2024-05-17 21:05:11,658 INFO [main.py:798]
{rank 0/64} MD step = 139900 step time: 00:00:00.356172 Performance: 25.707 ns/day 0.934 hours/ns 1.488 steps/s 2024-05-17 21:05:25,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139900 27980 89.735 -19399 9835.1 -29234 -29234 2.8264 0.25614 -1.6146 2.8017e+05 2024-05-17 21:05:59,835 INFO [main.py:798]
{rank 0/64} MD step = 140000 step time: 00:00:00.336831 Performance: 25.712 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-17 21:06:15,530 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 90.709 -19056 9941.8 -28998 -28998 2.8278 0.25506 -1.6138 2.8039e+05 2024-05-17 21:06:51,971 INFO [main.py:798]
{rank 0/64} MD step = 140100 step time: 00:00:00.373667 Performance: 25.716 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-17 21:07:08,549 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 89.213 -19385 9777.9 -29163 -29163 2.8318 0.25335 -1.6146 2.8059e+05 2024-05-17 21:07:43,409 INFO [main.py:798]
{rank 0/64} MD step = 140200 step time: 00:00:00.351514 Performance: 25.720 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-17 21:07:54,213 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 90.521 -19178 9921.2 -29099 -29099 2.8334 0.25129 -1.6146 2.8081e+05 2024-05-17 21:08:29,643 INFO [main.py:798]
{rank 0/64} MD step = 140300 step time: 00:00:00.330903 Performance: 25.726 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:08:44,122 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 90.33 -19292 9900.3 -29192 -29192 2.8373 0.24946 -1.615 2.8101e+05 2024-05-17 21:09:18,627 INFO [main.py:798]
{rank 0/64} MD step = 140400 step time: 00:00:00.353989 Performance: 25.731 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:09:32,538 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 89.597 -19095 9820 -28915 -28915 2.8408 0.24719 -1.6157 2.8124e+05 2024-05-17 21:10:08,145 INFO [main.py:798]
{rank 0/64} MD step = 140500 step time: 00:00:00.364869 Performance: 25.736 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:10:20,745 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 90.795 -18951 9951.3 -28902 -28902 2.8448 0.24582 -1.6153 2.8145e+05 2024-05-17 21:10:55,282 INFO [main.py:798]
{rank 0/64} MD step = 140600 step time: 00:00:00.337313 Performance: 25.741 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:11:41,500 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 90.042 -19038 9868.7 -28907 -28907 2.8478 0.2424 -1.6166 2.8163e+05 2024-05-17 21:12:16,025 INFO [main.py:798]
{rank 0/64} MD step = 140700 step time: 00:00:00.364133 Performance: 25.737 ns/day 0.932 hours/ns 1.489 steps/s 2024-05-17 21:13:12,132 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 90.672 -19223 9937.8 -29160 -29160 2.8508 0.24116 -1.6163 2.8182e+05 2024-05-17 21:14:08,737 INFO [main.py:798]
{rank 0/64} MD step = 140800 step time: 00:00:00.359084 Performance: 25.725 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:15:01,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140800 28160 89.592 -19237 9819.4 -29057 -29057 2.8543 0.23971 -1.6176 2.8202e+05 2024-05-17 21:15:36,161 INFO [main.py:798]
{rank 0/64} MD step = 140900 step time: 00:00:00.354556 Performance: 25.720 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-17 21:16:43,573 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 89.98 -19125 9861.9 -28987 -28987 2.858 0.23716 -1.6192 2.8225e+05 2024-05-17 21:17:19,628 INFO [main.py:798]
{rank 0/64} MD step = 141000 step time: 00:00:00.340997 Performance: 25.710 ns/day 0.934 hours/ns 1.488 steps/s 2024-05-17 21:17:45,873 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 90.368 -19118 9904.4 -29023 -29023 2.8597 0.23649 -1.6195 2.8246e+05 2024-05-17 21:18:20,488 INFO [main.py:798]
{rank 0/64} MD step = 141100 step time: 00:00:00.343438 Performance: 25.711 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-17 21:18:39,856 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 90.714 -19124 9942.4 -29066 -29066 2.8637 0.23527 -1.6201 2.8262e+05 2024-05-17 21:19:22,694 INFO [main.py:798]
{rank 0/64} MD step = 141200 step time: 00:00:00.352458 Performance: 25.713 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-17 21:19:31,462 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 90.532 -18792 9922.4 -28715 -28715 2.8665 0.234 -1.6209 2.8283e+05 2024-05-17 21:20:07,085 INFO [main.py:798]
{rank 0/64} MD step = 141300 step time: 00:00:00.358709 Performance: 25.719 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-17 21:20:18,397 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 90.601 -19129 9930 -29059 -29059 2.8692 0.23422 -1.6205 2.8298e+05 2024-05-17 21:20:53,443 INFO [main.py:798]
{rank 0/64} MD step = 141400 step time: 00:00:00.374602 Performance: 25.725 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:21:02,747 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 90.276 -19262 9894.3 -29157 -29157 2.8723 0.23236 -1.6201 2.8318e+05 2024-05-17 21:21:37,713 INFO [main.py:798]
{rank 0/64} MD step = 141500 step time: 00:00:00.349239 Performance: 25.731 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:22:02,197 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 90.532 -18971 9922.5 -28893 -28893 2.8741 0.23026 -1.6194 2.8341e+05 2024-05-17 21:22:36,849 INFO [main.py:798]
{rank 0/64} MD step = 141600 step time: 00:00:00.364999 Performance: 25.733 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:22:56,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141600 28320 89.593 -19138 9819.5 -28958 -28958 2.8786 0.22885 -1.6207 2.8362e+05 2024-05-17 21:23:30,939 INFO [main.py:798]
{rank 0/64} MD step = 141700 step time: 00:00:00.374389 Performance: 25.736 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:23:41,714 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 89.531 -19303 9812.7 -29115 -29115 2.8807 0.22547 -1.6204 2.838e+05 2024-05-17 21:24:17,069 INFO [main.py:798]
{rank 0/64} MD step = 141800 step time: 00:00:00.353566 Performance: 25.742 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:24:32,033 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 90.221 -18972 9888.3 -28860 -28860 2.8824 0.22237 -1.622 2.8402e+05 2024-05-17 21:25:08,978 INFO [main.py:798]
{rank 0/64} MD step = 141900 step time: 00:00:00.381191 Performance: 25.746 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:26:45,527 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 90.436 -19076 9911.9 -28988 -28988 2.8868 0.22202 -1.6226 2.8422e+05 2024-05-17 21:27:20,475 INFO [main.py:798]
{rank 0/64} MD step = 142000 step time: 00:00:00.354968 Performance: 25.729 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:27:28,698 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 90.265 -19099 9893.2 -28992 -28992 2.8885 0.21921 -1.6228 2.8443e+05 2024-05-17 21:28:03,075 INFO [main.py:798]
{rank 0/64} MD step = 142100 step time: 00:00:00.363121 Performance: 25.736 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:28:11,789 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 88.365 -19390 9684.9 -29075 -29075 2.8922 0.21858 -1.6244 2.8461e+05 2024-05-17 21:28:46,555 INFO [main.py:798]
{rank 0/64} MD step = 142200 step time: 00:00:00.366384 Performance: 25.742 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:30:26,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142200 28440 89.487 -19232 9807.8 -29039 -29039 2.8947 0.21694 -1.6245 2.8485e+05 2024-05-17 21:31:21,441 INFO [main.py:798]
{rank 0/64} MD step = 142300 step time: 00:00:00.345139 Performance: 25.718 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-17 21:31:34,331 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 89.972 -19251 9861 -29112 -29112 2.8976 0.21582 -1.6232 2.8504e+05 2024-05-17 21:32:08,786 INFO [main.py:798]
{rank 0/64} MD step = 142400 step time: 00:00:00.339243 Performance: 25.724 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:32:30,425 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 90.104 -19165 9875.5 -29040 -29040 2.902 0.2138 -1.622 2.8524e+05 2024-05-17 21:33:05,328 INFO [main.py:798]
{rank 0/64} MD step = 142500 step time: 00:00:00.356369 Performance: 25.726 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:33:28,055 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 89.776 -19174 9839.6 -29014 -29014 2.9044 0.21207 -1.6238 2.8546e+05 2024-05-17 21:34:02,976 INFO [main.py:798]
{rank 0/64} MD step = 142600 step time: 00:00:00.355283 Performance: 25.729 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:34:10,308 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 90.797 -18896 9951.4 -28848 -28848 2.9062 0.20937 -1.6258 2.8571e+05 2024-05-17 21:34:45,457 INFO [main.py:798]
{rank 0/64} MD step = 142700 step time: 00:00:00.353389 Performance: 25.736 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-17 21:35:07,583 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 89.918 -19168 9855.2 -29023 -29023 2.9084 0.2079 -1.6272 2.8594e+05 2024-05-17 21:35:45,004 INFO [main.py:798]
{rank 0/64} MD step = 142800 step time: 00:00:00.373848 Performance: 25.738 ns/day 0.932 hours/ns 1.489 steps/s 2024-05-17 21:35:59,426 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 89.618 -19233 9822.2 -29055 -29055 2.9102 0.20367 -1.6269 2.8618e+05 2024-05-17 21:36:36,135 INFO [main.py:798]
{rank 0/64} MD step = 142900 step time: 00:00:00.384325 Performance: 25.742 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:37:05,895 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 90.032 -19180 9867.7 -29048 -29048 2.9129 0.2022 -1.6285 2.8639e+05 2024-05-17 21:37:40,087 INFO [main.py:798]
{rank 0/64} MD step = 143000 step time: 00:00:00.359535 Performance: 25.743 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:37:55,901 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 89.207 -19198 9777.2 -28975 -28975 2.9133 0.201 -1.6281 2.866e+05 2024-05-17 21:38:30,688 INFO [main.py:798]
{rank 0/64} MD step = 143100 step time: 00:00:00.373175 Performance: 25.747 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:38:57,932 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 92.01 -18831 10084 -28916 -28916 2.9139 0.20115 -1.63 2.8678e+05 2024-05-17 21:39:32,809 INFO [main.py:798]
{rank 0/64} MD step = 143200 step time: 00:00:00.367914 Performance: 25.749 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:39:59,352 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 91.245 -19181 10001 -29181 -29181 2.9158 0.19969 -1.6318 2.8695e+05 2024-05-17 21:40:34,065 INFO [main.py:798]
{rank 0/64} MD step = 143300 step time: 00:00:00.352090 Performance: 25.750 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:40:49,296 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 90.006 -19185 9864.8 -29050 -29050 2.9202 0.20147 -1.6328 2.8715e+05 2024-05-17 21:41:25,907 INFO [main.py:798]
{rank 0/64} MD step = 143400 step time: 00:00:00.329469 Performance: 25.754 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-17 21:41:49,887 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 90.224 -19107 9888.6 -28995 -28995 2.9224 0.20001 -1.6326 2.8735e+05 2024-05-17 21:42:24,249 INFO [main.py:798]
{rank 0/64} MD step = 143500 step time: 00:00:00.343820 Performance: 25.757 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-17 21:42:45,195 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 90.203 -19295 9886.4 -29181 -29181 2.9255 0.19721 -1.6338 2.8756e+05 2024-05-17 21:43:20,325 INFO [main.py:798]
{rank 0/64} MD step = 143600 step time: 00:00:00.365061 Performance: 25.760 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-17 21:43:33,081 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 90.007 -19271 9864.9 -29135 -29135 2.929 0.19687 -1.6353 2.8774e+05 2024-05-17 21:44:08,083 INFO [main.py:798]
{rank 0/64} MD step = 143700 step time: 00:00:00.337837 Performance: 25.765 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-17 21:44:23,462 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 90.473 -19147 9916 -29063 -29063 2.9315 0.19552 -1.6355 2.8796e+05 2024-05-17 21:45:03,313 INFO [main.py:798]
{rank 0/64} MD step = 143800 step time: 00:00:00.377405 Performance: 25.768 ns/day 0.931 hours/ns 1.491 steps/s 2024-05-17 21:45:14,307 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 90.751 -19176 9946.4 -29123 -29123 2.9356 0.19558 -1.6366 2.8814e+05 2024-05-17 21:45:48,769 INFO [main.py:798]
{rank 0/64} MD step = 143900 step time: 00:00:00.354034 Performance: 25.774 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-17 21:46:11,270 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 90.427 -19274 9910.9 -29185 -29185 2.9369 0.19508 -1.6365 2.883e+05 2024-05-17 21:46:46,300 INFO [main.py:798]
{rank 0/64} MD step = 144000 step time: 00:00:00.331286 Performance: 25.776 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-17 21:47:06,956 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 89.201 -19337 9776.5 -29113 -29113 2.9387 0.19277 -1.6381 2.8851e+05 2024-05-17 21:47:42,785 INFO [main.py:798]
{rank 0/64} MD step = 144100 step time: 00:00:00.351967 Performance: 25.779 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-17 21:47:55,624 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 88.564 -19594 9706.7 -29301 -29301 2.9408 0.19064 -1.6402 2.8869e+05 2024-05-17 21:48:30,130 INFO [main.py:798]
{rank 0/64} MD step = 144200 step time: 00:00:00.353733 Performance: 25.784 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-17 21:48:40,900 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 89.291 -19629 9786.4 -29416 -29416 2.9445 0.18945 -1.6417 2.8886e+05 2024-05-17 21:49:15,408 INFO [main.py:798]
{rank 0/64} MD step = 144300 step time: 00:00:00.354996 Performance: 25.790 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-17 21:49:28,623 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 89.67 -19415 9828 -29243 -29243 2.9459 0.18763 -1.6424 2.8915e+05 2024-05-17 21:50:03,236 INFO [main.py:798]
{rank 0/64} MD step = 144400 step time: 00:00:00.350429 Performance: 25.795 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 21:50:13,867 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 89.546 -19337 9814.4 -29151 -29151 2.9471 0.18622 -1.6425 2.8937e+05 2024-05-17 21:50:48,621 INFO [main.py:798]
{rank 0/64} MD step = 144500 step time: 00:00:00.357939 Performance: 25.801 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 21:51:02,451 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 90.68 -19313 9938.6 -29252 -29252 2.95 0.18538 -1.6431 2.8955e+05 2024-05-17 21:51:39,329 INFO [main.py:798]
{rank 0/64} MD step = 144600 step time: 00:00:00.345195 Performance: 25.805 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 21:52:15,145 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 90.097 -19184 9874.7 -29059 -29059 2.953 0.18393 -1.6433 2.8979e+05 2024-05-17 21:52:50,090 INFO [main.py:798]
{rank 0/64} MD step = 144700 step time: 00:00:00.350413 Performance: 25.804 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 21:53:56,777 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 89.639 -18949 9824.5 -28774 -28774 2.9546 0.18306 -1.6458 2.9003e+05 2024-05-17 21:54:38,671 INFO [main.py:798]
{rank 0/64} MD step = 144800 step time: 00:00:00.352504 Performance: 25.793 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 21:55:14,264 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 90.595 -19201 9929.3 -29130 -29130 2.9575 0.18052 -1.6473 2.9022e+05 2024-05-17 21:55:48,982 INFO [main.py:798]
{rank 0/64} MD step = 144900 step time: 00:00:00.345091 Performance: 25.792 ns/day 0.931 hours/ns 1.493 steps/s 2024-05-17 21:56:05,719 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 87.998 -19558 9644.7 -29202 -29202 2.9601 0.18085 -1.6468 2.9043e+05 2024-05-17 21:56:40,710 INFO [main.py:798]
{rank 0/64} MD step = 145000 step time: 00:00:00.362088 Performance: 25.796 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 21:56:57,308 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 90.127 -19083 9878 -28961 -28961 2.9648 0.18244 -1.6467 2.9063e+05 2024-05-17 21:57:31,936 INFO [main.py:798]
{rank 0/64} MD step = 145100 step time: 00:00:00.336413 Performance: 25.801 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 21:57:59,470 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 90.871 -19072 9959.5 -29032 -29032 2.9661 0.18083 -1.6472 2.9082e+05 2024-05-17 21:58:35,746 INFO [main.py:798]
{rank 0/64} MD step = 145200 step time: 00:00:00.375328 Performance: 25.801 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 21:59:08,351 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 89.353 -19132 9793.2 -28925 -28925 2.9686 0.17986 -1.6487 2.9102e+05 2024-05-17 21:59:43,161 INFO [main.py:798]
{rank 0/64} MD step = 145300 step time: 00:00:00.360838 Performance: 25.801 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:00:13,914 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 89.257 -19187 9782.7 -28970 -28970 2.9728 0.17896 -1.6499 2.912e+05 2024-05-17 22:00:48,918 INFO [main.py:798]
{rank 0/64} MD step = 145400 step time: 00:00:00.352486 Performance: 25.802 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:00:56,062 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 89.735 -19215 9835 -29050 -29050 2.9758 0.17713 -1.6496 2.9141e+05 2024-05-17 22:01:30,370 INFO [main.py:798]
{rank 0/64} MD step = 145500 step time: 00:00:00.333821 Performance: 25.808 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 22:01:58,254 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 90.178 -19175 9883.6 -29059 -29059 2.9782 0.17498 -1.6492 2.9159e+05 2024-05-17 22:02:34,323 INFO [main.py:798]
{rank 0/64} MD step = 145600 step time: 00:00:00.381305 Performance: 25.809 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 22:03:02,633 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 90.864 -19094 9958.8 -29053 -29053 2.9813 0.17464 -1.6498 2.918e+05 2024-05-17 22:03:37,664 INFO [main.py:798]
{rank 0/64} MD step = 145700 step time: 00:00:00.334072 Performance: 25.810 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 22:03:41,369 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 91.391 -19286 10017 -29303 -29303 2.9856 0.17218 -1.6503 2.9197e+05 2024-05-17 22:04:20,250 INFO [main.py:798]
{rank 0/64} MD step = 145800 step time: 00:00:00.332641 Performance: 25.817 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 22:06:09,639 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 89.133 -19311 9769.1 -29081 -29081 2.9885 0.16948 -1.6509 2.9223e+05 2024-05-17 22:06:44,666 INFO [main.py:798]
{rank 0/64} MD step = 145900 step time: 00:00:00.338668 Performance: 25.796 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:07:08,242 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 90.225 -19230 9888.7 -29119 -29119 2.9921 0.16779 -1.6507 2.9243e+05 2024-05-17 22:07:42,919 INFO [main.py:798]
{rank 0/64} MD step = 146000 step time: 00:00:00.328563 Performance: 25.798 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:07:55,849 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 89.721 -19300 9833.5 -29133 -29133 2.9946 0.16515 -1.6522 2.9265e+05 2024-05-17 22:08:31,900 INFO [main.py:798]
{rank 0/64} MD step = 146100 step time: 00:00:00.355717 Performance: 25.803 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:09:02,350 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 90.024 -19024 9866.8 -28891 -28891 2.9973 0.16329 -1.6534 2.9286e+05 2024-05-17 22:09:37,953 INFO [main.py:798]
{rank 0/64} MD step = 146200 step time: 00:00:00.355330 Performance: 25.803 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:10:34,183 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 89.635 -19275 9824.1 -29099 -29099 2.9995 0.16237 -1.6539 2.9301e+05 2024-05-17 22:11:08,812 INFO [main.py:798]
{rank 0/64} MD step = 146300 step time: 00:00:00.349711 Performance: 25.797 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:11:21,502 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 89.992 -19207 9863.3 -29070 -29070 3.0007 0.16066 -1.6556 2.9327e+05 2024-05-17 22:11:59,188 INFO [main.py:798]
{rank 0/64} MD step = 146400 step time: 00:00:00.353097 Performance: 25.801 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:12:09,026 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 89.765 -19198 9838.4 -29037 -29037 3.0019 0.15864 -1.6566 2.9345e+05 2024-05-17 22:12:43,463 INFO [main.py:798]
{rank 0/64} MD step = 146500 step time: 00:00:00.353558 Performance: 25.807 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:13:06,439 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 90.535 -18929 9922.8 -28852 -28852 3.003 0.15627 -1.6587 2.9369e+05 2024-05-17 22:13:50,582 INFO [main.py:798]
{rank 0/64} MD step = 146600 step time: 00:00:00.376328 Performance: 25.807 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:14:45,020 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 88.885 -19192 9741.9 -28934 -28934 3.0069 0.15458 -1.6592 2.9389e+05 2024-05-17 22:15:19,497 INFO [main.py:798]
{rank 0/64} MD step = 146700 step time: 00:00:00.351066 Performance: 25.802 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:15:36,802 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 90.171 -19032 9882.9 -28915 -28915 3.0078 0.15275 -1.6612 2.9416e+05 2024-05-17 22:16:22,863 INFO [main.py:798]
{rank 0/64} MD step = 146800 step time: 00:00:00.348012 Performance: 25.803 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 22:16:32,557 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 90.184 -19245 9884.3 -29130 -29130 3.0087 0.15254 -1.6623 2.9434e+05 2024-05-17 22:17:08,006 INFO [main.py:798]
{rank 0/64} MD step = 146900 step time: 00:00:00.376243 Performance: 25.808 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 22:17:27,205 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 88.981 -19044 9752.4 -28797 -28797 3.011 0.15193 -1.6638 2.9459e+05 2024-05-17 22:18:01,949 INFO [main.py:798]
{rank 0/64} MD step = 147000 step time: 00:00:00.339291 Performance: 25.812 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 22:18:25,166 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 90.051 -19074 9869.7 -28944 -28944 3.0127 0.14973 -1.6638 2.9479e+05 2024-05-17 22:19:00,345 INFO [main.py:798]
{rank 0/64} MD step = 147100 step time: 00:00:00.335691 Performance: 25.814 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 22:19:15,583 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 89.927 -19103 9856.1 -28959 -28959 3.0143 0.14866 -1.6644 2.9494e+05 2024-05-17 22:19:50,315 INFO [main.py:798]
{rank 0/64} MD step = 147200 step time: 00:00:00.353055 Performance: 25.818 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 22:19:59,778 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 91.731 -19203 10054 -29257 -29257 3.0162 0.14698 -1.6659 2.9508e+05 2024-05-17 22:20:34,282 INFO [main.py:798]
{rank 0/64} MD step = 147300 step time: 00:00:00.344536 Performance: 25.824 ns/day 0.929 hours/ns 1.494 steps/s 2024-05-17 22:21:10,412 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 89.629 -19218 9823.5 -29042 -29042 3.0185 0.14721 -1.6674 2.953e+05 2024-05-17 22:21:46,116 INFO [main.py:798]
{rank 0/64} MD step = 147400 step time: 00:00:00.327161 Performance: 25.823 ns/day 0.929 hours/ns 1.494 steps/s 2024-05-17 22:22:00,058 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 89.494 -19366 9808.6 -29175 -29175 3.0202 0.14478 -1.6678 2.9549e+05 2024-05-17 22:22:35,017 INFO [main.py:798]
{rank 0/64} MD step = 147500 step time: 00:00:00.334439 Performance: 25.828 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 22:23:04,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147500 29500 90.593 -19246 9929.1 -29175 -29175 3.0234 0.1418 -1.6698 2.9568e+05 2024-05-17 22:23:39,685 INFO [main.py:798]
{rank 0/64} MD step = 147600 step time: 00:00:00.351696 Performance: 25.828 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 22:24:16,319 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 90.185 -19109 9884.4 -28994 -28994 3.0275 0.14107 -1.6711 2.9592e+05 2024-05-17 22:24:51,016 INFO [main.py:798]
{rank 0/64} MD step = 147700 step time: 00:00:00.349293 Performance: 25.827 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 22:25:01,856 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 90.865 -19187 9958.9 -29146 -29146 3.0313 0.14092 -1.6731 2.9606e+05 2024-05-17 22:25:36,395 INFO [main.py:798]
{rank 0/64} MD step = 147800 step time: 00:00:00.343348 Performance: 25.833 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 22:25:52,782 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 91.026 -18959 9976.6 -28936 -28936 3.033 0.1402 -1.6745 2.9629e+05 2024-05-17 22:26:27,606 INFO [main.py:798]
{rank 0/64} MD step = 147900 step time: 00:00:00.352873 Performance: 25.837 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 22:26:42,382 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 90.087 -19101 9873.7 -28974 -28974 3.035 0.1398 -1.6755 2.9651e+05 2024-05-17 22:27:17,321 INFO [main.py:798]
{rank 0/64} MD step = 148000 step time: 00:00:00.337523 Performance: 25.841 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 22:27:45,093 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 90.551 -19168 9924.5 -29093 -29093 3.0369 0.13879 -1.6764 2.9669e+05 2024-05-17 22:28:19,789 INFO [main.py:798]
{rank 0/64} MD step = 148100 step time: 00:00:00.372973 Performance: 25.843 ns/day 0.929 hours/ns 1.496 steps/s 2024-05-17 22:28:26,370 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 88.928 -19235 9746.6 -28982 -28982 3.0406 0.13614 -1.6775 2.9694e+05 2024-05-17 22:29:08,191 INFO [main.py:798]
{rank 0/64} MD step = 148200 step time: 00:00:00.342284 Performance: 25.847 ns/day 0.929 hours/ns 1.496 steps/s 2024-05-17 22:29:28,367 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 90.438 -19260 9912.1 -29172 -29172 3.0444 0.13521 -1.6775 2.9716e+05 2024-05-17 22:30:04,706 INFO [main.py:798]
{rank 0/64} MD step = 148300 step time: 00:00:00.330809 Performance: 25.850 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 22:30:16,702 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 89.935 -19125 9857 -28982 -28982 3.045 0.13417 -1.6793 2.9737e+05 2024-05-17 22:30:57,644 INFO [main.py:798]
{rank 0/64} MD step = 148400 step time: 00:00:00.348927 Performance: 25.854 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 22:31:24,460 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 90.24 -19275 9890.4 -29165 -29165 3.0489 0.13186 -1.6799 2.9754e+05 2024-05-17 22:31:59,190 INFO [main.py:798]
{rank 0/64} MD step = 148500 step time: 00:00:00.347363 Performance: 25.855 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 22:32:24,094 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 90.927 -18939 9965.7 -28905 -28905 3.051 0.13052 -1.6796 2.9775e+05 2024-05-17 22:33:06,493 INFO [main.py:798]
{rank 0/64} MD step = 148600 step time: 00:00:00.378659 Performance: 25.855 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 22:33:27,762 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 89.564 -19060 9816.3 -28876 -28876 3.0554 0.12939 -1.6812 2.9797e+05 2024-05-17 22:34:02,207 INFO [main.py:798]
{rank 0/64} MD step = 148700 step time: 00:00:00.339847 Performance: 25.858 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 22:34:10,193 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 90.193 -19127 9885.2 -29012 -29012 3.0562 0.12945 -1.6823 2.9818e+05 2024-05-17 22:34:45,430 INFO [main.py:798]
{rank 0/64} MD step = 148800 step time: 00:00:00.347233 Performance: 25.864 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 22:34:58,385 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 91.151 -18952 9990.3 -28943 -28943 3.0588 0.12957 -1.6822 2.9841e+05 2024-05-17 22:35:34,377 INFO [main.py:798]
{rank 0/64} MD step = 148900 step time: 00:00:00.331383 Performance: 25.869 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 22:35:49,835 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 90.446 -19097 9913 -29010 -29010 3.063 0.12795 -1.682 2.9859e+05 2024-05-17 22:36:25,985 INFO [main.py:798]
{rank 0/64} MD step = 149000 step time: 00:00:00.349563 Performance: 25.873 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 22:36:43,241 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 90.58 -19129 9927.6 -29057 -29057 3.0663 0.12633 -1.683 2.9881e+05 2024-05-17 22:37:18,046 INFO [main.py:798]
{rank 0/64} MD step = 149100 step time: 00:00:00.375673 Performance: 25.876 ns/day 0.927 hours/ns 1.497 steps/s 2024-05-17 22:37:50,085 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 89.409 -19146 9799.3 -28946 -28946 3.0701 0.12528 -1.6846 2.99e+05 2024-05-17 22:38:36,810 INFO [main.py:798]
{rank 0/64} MD step = 149200 step time: 00:00:00.365673 Performance: 25.873 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 22:39:04,106 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 90.614 -19176 9931.5 -29108 -29108 3.0734 0.12656 -1.6851 2.9922e+05 2024-05-17 22:39:38,450 INFO [main.py:798]
{rank 0/64} MD step = 149300 step time: 00:00:00.334372 Performance: 25.875 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 22:40:20,762 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 89.114 -19198 9767 -28965 -28965 3.0766 0.12498 -1.6871 2.9942e+05 2024-05-17 22:40:56,169 INFO [main.py:798]
{rank 0/64} MD step = 149400 step time: 00:00:00.363595 Performance: 25.872 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 22:41:18,304 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 90.033 -19283 9867.7 -29150 -29150 3.0799 0.12328 -1.6886 2.9962e+05 2024-05-17 22:41:52,938 INFO [main.py:798]
{rank 0/64} MD step = 149500 step time: 00:00:00.350816 Performance: 25.874 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 22:42:10,908 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 89.324 -19072 9790 -28862 -28862 3.0815 0.12224 -1.6895 2.9983e+05 2024-05-17 22:42:45,157 INFO [main.py:798]
{rank 0/64} MD step = 149600 step time: 00:00:00.355625 Performance: 25.878 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:42:52,870 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 90.465 -19147 9915.1 -29063 -29063 3.0842 0.12153 -1.6918 2.9999e+05 2024-05-17 22:43:27,755 INFO [main.py:798]
{rank 0/64} MD step = 149700 step time: 00:00:00.339677 Performance: 25.884 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:43:52,613 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 89.561 -19294 9816 -29110 -29110 3.0868 0.11883 -1.6944 3.002e+05 2024-05-17 22:44:27,386 INFO [main.py:798]
{rank 0/64} MD step = 149800 step time: 00:00:00.336292 Performance: 25.886 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:44:57,746 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 90.374 -19248 9905.1 -29153 -29153 3.0892 0.1194 -1.6952 3.0041e+05 2024-05-17 22:45:37,350 INFO [main.py:798]
{rank 0/64} MD step = 149900 step time: 00:00:00.376179 Performance: 25.885 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:45:48,606 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 90.68 -19084 9938.7 -29023 -29023 3.0932 0.11809 -1.6977 3.0062e+05 2024-05-17 22:46:23,349 INFO [main.py:798]
{rank 0/64} MD step = 150000 step time: 00:00:00.328581 Performance: 25.891 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:46:35,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150000 30000 91.258 -18934 10002 -28936 -28936 3.0966 0.11738 -1.6995 3.008e+05 2024-05-17 22:47:11,449 INFO [main.py:798]
{rank 0/64} MD step = 150100 step time: 00:00:00.387643 Performance: 25.896 ns/day 0.927 hours/ns 1.499 steps/s 2024-05-17 22:48:17,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150100 30020 89.325 -19011 9790.1 -28801 -28801 3.0983 0.11759 -1.7012 3.0102e+05 2024-05-17 22:49:02,781 INFO [main.py:798]
{rank 0/64} MD step = 150200 step time: 00:00:00.384151 Performance: 25.884 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:49:36,392 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 89.353 -19306 9793.2 -29100 -29100 3.1019 0.11762 -1.703 3.012e+05 2024-05-17 22:50:10,854 INFO [main.py:798]
{rank 0/64} MD step = 150300 step time: 00:00:00.342104 Performance: 25.884 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:51:05,307 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 89.168 -19286 9772.9 -29059 -29059 3.1027 0.11545 -1.7054 3.0138e+05 2024-05-17 22:51:39,745 INFO [main.py:798]
{rank 0/64} MD step = 150400 step time: 00:00:00.353446 Performance: 25.878 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:52:12,817 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 90.68 -19068 9938.7 -29007 -29007 3.1067 0.11557 -1.7069 3.0159e+05 2024-05-17 22:52:48,338 INFO [main.py:798]
{rank 0/64} MD step = 150500 step time: 00:00:00.347958 Performance: 25.878 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:53:35,379 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 89.419 -19336 9800.5 -29136 -29136 3.109 0.11618 -1.7089 3.0172e+05 2024-05-17 22:54:10,034 INFO [main.py:798]
{rank 0/64} MD step = 150600 step time: 00:00:00.353795 Performance: 25.874 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 22:54:18,030 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 90.138 -19206 9879.2 -29086 -29086 3.1109 0.1181 -1.7097 3.02e+05 2024-05-17 22:54:54,271 INFO [main.py:798]
{rank 0/64} MD step = 150700 step time: 00:00:00.372583 Performance: 25.880 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:55:04,469 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 91.564 -18735 10035 -28770 -28770 3.1135 0.11772 -1.7103 3.0222e+05 2024-05-17 22:55:43,641 INFO [main.py:798]
{rank 0/64} MD step = 150800 step time: 00:00:00.340676 Performance: 25.884 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:55:56,155 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 89.638 -19152 9824.4 -28977 -28977 3.116 0.11578 -1.711 3.0242e+05 2024-05-17 22:56:30,969 INFO [main.py:798]
{rank 0/64} MD step = 150900 step time: 00:00:00.336799 Performance: 25.889 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:57:00,931 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 89.885 -18892 9851.6 -28743 -28743 3.1177 0.11576 -1.713 3.0265e+05 2024-05-17 22:57:38,788 INFO [main.py:798]
{rank 0/64} MD step = 151000 step time: 00:00:00.345540 Performance: 25.889 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:57:55,418 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 89.614 -19109 9821.8 -28930 -28930 3.1207 0.11404 -1.7136 3.0283e+05 2024-05-17 22:58:29,576 INFO [main.py:798]
{rank 0/64} MD step = 151100 step time: 00:00:00.335123 Performance: 25.893 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 22:59:31,650 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 89.81 -19040 9843.3 -28884 -28884 3.1229 0.11204 -1.7165 3.0309e+05 2024-05-17 23:00:05,857 INFO [main.py:798]
{rank 0/64} MD step = 151200 step time: 00:00:00.326254 Performance: 25.885 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:00:59,933 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 89.495 -19090 9808.8 -28899 -28899 3.1255 0.11073 -1.7187 3.0326e+05 2024-05-17 23:01:34,562 INFO [main.py:798]
{rank 0/64} MD step = 151300 step time: 00:00:00.337266 Performance: 25.880 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:02:11,225 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 89.862 -18876 9849 -28725 -28725 3.1274 0.10873 -1.7211 3.0348e+05 2024-05-17 23:03:10,447 INFO [main.py:798]
{rank 0/64} MD step = 151400 step time: 00:00:00.333047 Performance: 25.872 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 23:03:20,027 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 90.471 -18915 9915.8 -28831 -28831 3.1306 0.10561 -1.7236 3.0367e+05 2024-05-17 23:03:54,607 INFO [main.py:798]
{rank 0/64} MD step = 151500 step time: 00:00:00.344107 Performance: 25.878 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:04:09,099 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 89.185 -19072 9774.8 -28847 -28847 3.1339 0.10545 -1.7245 3.0391e+05 2024-05-17 23:04:45,263 INFO [main.py:798]
{rank 0/64} MD step = 151600 step time: 00:00:00.357618 Performance: 25.882 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:04:56,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 30320 89.742 -19242 9835.9 -29078 -29078 3.1344 0.10476 -1.7267 3.0409e+05 2024-05-17 23:05:31,386 INFO [main.py:798]
{rank 0/64} MD step = 151700 step time: 00:00:00.351005 Performance: 25.887 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:05:45,668 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 90.661 -19081 9936.6 -29018 -29018 3.1357 0.103 -1.7283 3.0428e+05 2024-05-17 23:06:20,516 INFO [main.py:798]
{rank 0/64} MD step = 151800 step time: 00:00:00.351236 Performance: 25.892 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:06:57,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151800 30360 88.851 -19353 9738.1 -29091 -29091 3.138 0.10258 -1.729 3.0446e+05 2024-05-17 23:07:31,858 INFO [main.py:798]
{rank 0/64} MD step = 151900 step time: 00:00:00.355864 Performance: 25.891 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:07:51,542 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 89.491 -19046 9808.3 -28854 -28854 3.1417 0.10267 -1.7316 3.0467e+05 2024-05-17 23:08:26,538 INFO [main.py:798]
{rank 0/64} MD step = 152000 step time: 00:00:00.330597 Performance: 25.894 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:09:32,108 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 92.213 -18793 10107 -28900 -28900 3.1447 0.10084 -1.7332 3.0487e+05 2024-05-17 23:10:07,495 INFO [main.py:798]
{rank 0/64} MD step = 152100 step time: 00:00:00.341607 Performance: 25.885 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:11:09,874 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 89.49 -19150 9808.2 -28958 -28958 3.1489 0.097663 -1.7343 3.0506e+05 2024-05-17 23:11:44,560 INFO [main.py:798]
{rank 0/64} MD step = 152200 step time: 00:00:00.353740 Performance: 25.877 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:12:06,084 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 90.698 -18821 9940.6 -28762 -28762 3.152 0.097453 -1.7345 3.053e+05 2024-05-17 23:12:51,881 INFO [main.py:798]
{rank 0/64} MD step = 152300 step time: 00:00:00.352773 Performance: 25.877 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:13:21,776 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 90.069 -19101 9871.7 -28973 -28973 3.1554 0.096063 -1.736 3.0549e+05 2024-05-17 23:13:55,913 INFO [main.py:798]
{rank 0/64} MD step = 152400 step time: 00:00:00.349251 Performance: 25.878 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:14:28,828 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 88.887 -19248 9742.1 -28990 -28990 3.158 0.094291 -1.738 3.0569e+05 2024-05-17 23:15:03,677 INFO [main.py:798]
{rank 0/64} MD step = 152500 step time: 00:00:00.356114 Performance: 25.878 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-17 23:16:26,144 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 90.751 -19013 9946.4 -28960 -28960 3.1598 0.095224 -1.7398 3.059e+05 2024-05-17 23:17:02,360 INFO [main.py:798]
{rank 0/64} MD step = 152600 step time: 00:00:00.357236 Performance: 25.864 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 23:17:28,849 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 90.633 -19064 9933.5 -28998 -28998 3.1624 0.094653 -1.7399 3.061e+05 2024-05-17 23:18:18,561 INFO [main.py:798]
{rank 0/64} MD step = 152700 step time: 00:00:00.333319 Performance: 25.862 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 23:18:42,863 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 89.879 -19258 9850.9 -29109 -29109 3.1664 0.093367 -1.7399 3.0632e+05 2024-05-17 23:19:17,094 INFO [main.py:798]
{rank 0/64} MD step = 152800 step time: 00:00:00.342715 Performance: 25.864 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 23:19:56,194 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 91.3 -18819 10007 -28826 -28826 3.1675 0.094596 -1.7399 3.0654e+05 2024-05-17 23:20:30,878 INFO [main.py:798]
{rank 0/64} MD step = 152900 step time: 00:00:00.350017 Performance: 25.862 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-17 23:22:14,338 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 91.336 -19036 10011 -29046 -29046 3.1695 0.093701 -1.7415 3.0672e+05 2024-05-17 23:22:48,793 INFO [main.py:798]
{rank 0/64} MD step = 153000 step time: 00:00:00.350418 Performance: 25.844 ns/day 0.929 hours/ns 1.496 steps/s 2024-05-17 23:23:43,007 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 89.786 -19071 9840.7 -28912 -28912 3.1711 0.092443 -1.7412 3.0695e+05 2024-05-17 23:24:17,580 INFO [main.py:798]
{rank 0/64} MD step = 153100 step time: 00:00:00.358717 Performance: 25.839 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 23:24:48,059 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 90.504 -19100 9919.3 -29019 -29019 3.1757 0.092767 -1.7417 3.0714e+05 2024-05-17 23:25:25,545 INFO [main.py:798]
{rank 0/64} MD step = 153200 step time: 00:00:00.334114 Performance: 25.839 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 23:25:38,149 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 88.87 -19273 9740.3 -29013 -29013 3.1784 0.091662 -1.7418 3.0738e+05 2024-05-17 23:26:12,540 INFO [main.py:798]
{rank 0/64} MD step = 153300 step time: 00:00:00.355146 Performance: 25.844 ns/day 0.929 hours/ns 1.496 steps/s 2024-05-17 23:26:23,684 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 89.613 -19085 9821.6 -28907 -28907 3.1828 0.088824 -1.7422 3.0761e+05 2024-05-17 23:27:02,700 INFO [main.py:798]
{rank 0/64} MD step = 153400 step time: 00:00:00.353564 Performance: 25.848 ns/day 0.929 hours/ns 1.496 steps/s 2024-05-17 23:27:10,722 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 89.818 -19348 9844.2 -29192 -29192 3.1884 0.08681 -1.742 3.0778e+05 2024-05-17 23:27:45,284 INFO [main.py:798]
{rank 0/64} MD step = 153500 step time: 00:00:00.347567 Performance: 25.854 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 23:28:10,796 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 89.815 -19244 9843.8 -29087 -29087 3.1902 0.083509 -1.7437 3.0801e+05 2024-05-17 23:28:47,973 INFO [main.py:798]
{rank 0/64} MD step = 153600 step time: 00:00:00.329312 Performance: 25.855 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 23:29:19,287 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 90.689 -18862 9939.7 -28801 -28801 3.192 0.080862 -1.7442 3.0826e+05 2024-05-17 23:29:53,707 INFO [main.py:798]
{rank 0/64} MD step = 153700 step time: 00:00:00.346567 Performance: 25.855 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 23:30:45,487 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 90.842 -19002 9956.3 -28959 -28959 3.1934 0.078919 -1.7447 3.0847e+05 2024-05-17 23:31:22,234 INFO [main.py:798]
{rank 0/64} MD step = 153800 step time: 00:00:00.377380 Performance: 25.850 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 23:31:50,969 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 89.656 -19176 9826.4 -29002 -29002 3.1957 0.076366 -1.7467 3.0867e+05 2024-05-17 23:32:25,896 INFO [main.py:798]
{rank 0/64} MD step = 153900 step time: 00:00:00.342997 Performance: 25.851 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-17 23:34:01,829 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 90.573 -18941 9926.9 -28868 -28868 3.1971 0.075014 -1.7478 3.0888e+05 2024-05-17 23:34:47,567 INFO [main.py:798]
{rank 0/64} MD step = 154000 step time: 00:00:00.361267 Performance: 25.832 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-17 23:35:46,891 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 88.986 -19134 9753 -28887 -28887 3.2003 0.074633 -1.7498 3.0908e+05 2024-05-17 23:36:22,481 INFO [main.py:798]
{rank 0/64} MD step = 154100 step time: 00:00:00.366513 Performance: 25.825 ns/day 0.929 hours/ns 1.494 steps/s 2024-05-17 23:37:21,743 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 90.424 -18789 9910.6 -28700 -28700 3.2021 0.073242 -1.7502 3.0928e+05 2024-05-17 23:38:02,537 INFO [main.py:798]
{rank 0/64} MD step = 154200 step time: 00:00:00.346255 Performance: 25.817 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:38:30,794 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 89.529 -18861 9812.5 -28673 -28673 3.2049 0.070747 -1.7527 3.0952e+05 2024-05-17 23:39:12,501 INFO [main.py:798]
{rank 0/64} MD step = 154300 step time: 00:00:00.354718 Performance: 25.816 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:39:28,846 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 88.826 -18796 9735.4 -28532 -28532 3.2074 0.070756 -1.7558 3.0972e+05 2024-05-17 23:40:04,010 INFO [main.py:798]
{rank 0/64} MD step = 154400 step time: 00:00:00.338928 Performance: 25.820 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:40:34,593 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 90.259 -18735 9892.5 -28627 -28627 3.2096 0.068518 -1.7564 3.0991e+05 2024-05-17 23:41:09,002 INFO [main.py:798]
{rank 0/64} MD step = 154500 step time: 00:00:00.347942 Performance: 25.820 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:41:35,277 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 91.098 -18684 9984.4 -28668 -28668 3.2102 0.066766 -1.7572 3.1011e+05 2024-05-17 23:42:12,882 INFO [main.py:798]
{rank 0/64} MD step = 154600 step time: 00:00:00.340116 Performance: 25.821 ns/day 0.929 hours/ns 1.494 steps/s 2024-05-17 23:42:51,525 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 91.572 -18562 10036 -28598 -28598 3.2124 0.066804 -1.7584 3.103e+05 2024-05-17 23:43:26,289 INFO [main.py:798]
{rank 0/64} MD step = 154700 step time: 00:00:00.355700 Performance: 25.819 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:43:57,495 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 90.112 -18618 9876.4 -28494 -28494 3.2158 0.066023 -1.7591 3.1051e+05 2024-05-17 23:44:38,342 INFO [main.py:798]
{rank 0/64} MD step = 154800 step time: 00:00:00.339124 Performance: 25.818 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:45:18,795 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 89.279 -18807 9785.1 -28592 -28592 3.218 0.063623 -1.7611 3.1074e+05 2024-05-17 23:45:55,397 INFO [main.py:798]
{rank 0/64} MD step = 154900 step time: 00:00:00.355811 Performance: 25.815 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:46:40,691 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 89.95 -18532 9858.6 -28390 -28390 3.2203 0.061584 -1.7629 3.1092e+05 2024-05-17 23:47:15,033 INFO [main.py:798]
{rank 0/64} MD step = 155000 step time: 00:00:00.346659 Performance: 25.812 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:47:53,217 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 90.455 -18533 9914 -28447 -28447 3.2228 0.062975 -1.7639 3.1103e+05 2024-05-17 23:48:31,393 INFO [main.py:798]
{rank 0/64} MD step = 155100 step time: 00:00:00.330824 Performance: 25.810 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-17 23:49:27,760 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 90.304 -18532 9897.5 -28429 -28429 3.2257 0.063775 -1.7635 3.1123e+05 2024-05-17 23:50:02,148 INFO [main.py:798]
{rank 0/64} MD step = 155200 step time: 00:00:00.348340 Performance: 25.804 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 23:50:38,454 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 90.163 -18644 9882 -28526 -28526 3.2264 0.06267 -1.7649 3.1141e+05 2024-05-17 23:51:16,718 INFO [main.py:798]
{rank 0/64} MD step = 155300 step time: 00:00:00.375283 Performance: 25.802 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 23:51:48,071 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 90.383 -18743 9906.1 -28649 -28649 3.227 0.060784 -1.7669 3.1161e+05 2024-05-17 23:52:23,460 INFO [main.py:798]
{rank 0/64} MD step = 155400 step time: 00:00:00.373839 Performance: 25.802 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 23:52:54,568 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 90.969 -18579 9970.3 -28550 -28550 3.2273 0.059556 -1.7671 3.1183e+05 2024-05-17 23:53:29,134 INFO [main.py:798]
{rank 0/64} MD step = 155500 step time: 00:00:00.355942 Performance: 25.803 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 23:54:21,579 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 89.726 -18821 9834.1 -28655 -28655 3.2307 0.057746 -1.7677 3.12e+05 2024-05-17 23:54:56,195 INFO [main.py:798]
{rank 0/64} MD step = 155600 step time: 00:00:00.359970 Performance: 25.798 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 23:55:13,464 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 88.517 -19020 9701.6 -28721 -28721 3.2345 0.05646 -1.7694 3.1217e+05 2024-05-17 23:56:03,858 INFO [main.py:798]
{rank 0/64} MD step = 155700 step time: 00:00:00.372522 Performance: 25.797 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 23:56:59,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155700 31140 89.479 -18670 9807 -28477 -28477 3.2392 0.054098 -1.7708 3.124e+05 2024-05-17 23:57:34,673 INFO [main.py:798]
{rank 0/64} MD step = 155800 step time: 00:00:00.338790 Performance: 25.792 ns/day 0.931 hours/ns 1.493 steps/s 2024-05-17 23:58:00,170 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 89.56 -18625 9815.9 -28441 -28441 3.2431 0.052451 -1.7704 3.1259e+05 2024-05-17 23:58:35,512 INFO [main.py:798]
{rank 0/64} MD step = 155900 step time: 00:00:00.331296 Performance: 25.793 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-17 23:59:10,470 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 90.25 -18473 9891.5 -28365 -28365 3.2476 0.051812 -1.7699 3.1277e+05 2024-05-17 23:59:49,355 INFO [main.py:798]
{rank 0/64} MD step = 156000 step time: 00:00:00.340932 Performance: 25.791 ns/day 0.931 hours/ns 1.493 steps/s 2024-05-18 00:00:27,611 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 89.666 -18904 9827.5 -28731 -28731 3.2519 0.049965 -1.7715 3.1295e+05 2024-05-18 00:01:05,368 INFO [main.py:798]
{rank 0/64} MD step = 156100 step time: 00:00:00.342307 Performance: 25.789 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:01:35,264 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 89.445 -18686 9803.3 -28489 -28489 3.254 0.048655 -1.7719 3.1318e+05 2024-05-18 00:02:11,241 INFO [main.py:798]
{rank 0/64} MD step = 156200 step time: 00:00:00.344115 Performance: 25.789 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:02:44,284 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 89.279 -19099 9785.1 -28884 -28884 3.2561 0.047317 -1.7712 3.1335e+05 2024-05-18 00:03:20,315 INFO [main.py:798]
{rank 0/64} MD step = 156300 step time: 00:00:00.338585 Performance: 25.789 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:03:45,101 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 90.687 -18698 9939.4 -28637 -28637 3.2592 0.045079 -1.7705 3.1353e+05 2024-05-18 00:04:30,999 INFO [main.py:798]
{rank 0/64} MD step = 156400 step time: 00:00:00.381964 Performance: 25.788 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:04:54,380 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 88.595 -18841 9710.1 -28551 -28551 3.2619 0.044231 -1.772 3.1373e+05 2024-05-18 00:05:31,697 INFO [main.py:798]
{rank 0/64} MD step = 156500 step time: 00:00:00.348936 Performance: 25.790 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:06:04,862 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 88.688 -18712 9720.3 -28432 -28432 3.2643 0.043488 -1.7724 3.1398e+05 2024-05-18 00:06:44,362 INFO [main.py:798]
{rank 0/64} MD step = 156600 step time: 00:00:00.349580 Performance: 25.788 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:07:15,766 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 91.668 -18672 10047 -28719 -28719 3.2661 0.042998 -1.773 3.1414e+05 2024-05-18 00:07:54,915 INFO [main.py:798]
{rank 0/64} MD step = 156700 step time: 00:00:00.329184 Performance: 25.787 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:08:48,341 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 90.084 -18820 9873.3 -28693 -28693 3.2676 0.04286 -1.7732 3.1435e+05 2024-05-18 00:09:25,957 INFO [main.py:798]
{rank 0/64} MD step = 156800 step time: 00:00:00.367529 Performance: 25.781 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:09:54,533 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 89.955 -18793 9859.2 -28652 -28652 3.2702 0.04244 -1.7722 3.1454e+05 2024-05-18 00:10:29,284 INFO [main.py:798]
{rank 0/64} MD step = 156900 step time: 00:00:00.353733 Performance: 25.782 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:10:48,696 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 89.792 -18710 9841.3 -28552 -28552 3.2738 0.042107 -1.7734 3.1474e+05 2024-05-18 00:11:25,424 INFO [main.py:798]
{rank 0/64} MD step = 157000 step time: 00:00:00.356477 Performance: 25.785 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:12:03,155 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 90.901 -18525 9962.9 -28488 -28488 3.2765 0.040174 -1.7734 3.1493e+05 2024-05-18 00:12:38,106 INFO [main.py:798]
{rank 0/64} MD step = 157100 step time: 00:00:00.330964 Performance: 25.784 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:13:09,813 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 89.936 -18731 9857 -28588 -28588 3.277 0.037688 -1.7737 3.1512e+05 2024-05-18 00:13:45,553 INFO [main.py:798]
{rank 0/64} MD step = 157200 step time: 00:00:00.341793 Performance: 25.783 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:14:18,438 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 88.682 -18978 9719.7 -28697 -28697 3.2785 0.037516 -1.7744 3.1531e+05 2024-05-18 00:14:54,146 INFO [main.py:798]
{rank 0/64} MD step = 157300 step time: 00:00:00.343142 Performance: 25.783 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:15:33,335 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 87.983 -19120 9643.1 -28763 -28763 3.2819 0.036345 -1.7744 3.1553e+05 2024-05-18 00:16:13,826 INFO [main.py:798]
{rank 0/64} MD step = 157400 step time: 00:00:00.348630 Performance: 25.780 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:16:41,917 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 89.683 -19088 9829.3 -28917 -28917 3.2839 0.036269 -1.7735 3.1568e+05 2024-05-18 00:17:16,603 INFO [main.py:798]
{rank 0/64} MD step = 157500 step time: 00:00:00.330764 Performance: 25.781 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:17:41,714 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 90.387 -18890 9906.5 -28797 -28797 3.2872 0.035392 -1.7743 3.1592e+05 2024-05-18 00:18:16,978 INFO [main.py:798]
{rank 0/64} MD step = 157600 step time: 00:00:00.365784 Performance: 25.783 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:18:44,484 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 90.259 -18801 9892.5 -28693 -28693 3.2889 0.033459 -1.7747 3.1616e+05 2024-05-18 00:19:24,330 INFO [main.py:798]
{rank 0/64} MD step = 157700 step time: 00:00:00.346945 Performance: 25.783 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:19:48,475 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 90.133 -18822 9878.7 -28701 -28701 3.291 0.032021 -1.7749 3.1631e+05 2024-05-18 00:20:27,290 INFO [main.py:798]
{rank 0/64} MD step = 157800 step time: 00:00:00.341650 Performance: 25.784 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 00:21:48,568 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 89.45 -19184 9803.8 -28988 -28988 3.2936 0.031202 -1.7776 3.1648e+05 2024-05-18 00:22:26,369 INFO [main.py:798]
{rank 0/64} MD step = 157900 step time: 00:00:00.341348 Performance: 25.771 ns/day 0.931 hours/ns 1.491 steps/s 2024-05-18 00:23:30,716 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 88.342 -19241 9682.4 -28924 -28924 3.2977 0.030859 -1.7784 3.1667e+05 2024-05-18 00:24:05,398 INFO [main.py:798]
{rank 0/64} MD step = 158000 step time: 00:00:00.363814 Performance: 25.763 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:24:52,671 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 90.562 -18973 9925.7 -28898 -28898 3.3005 0.031268 -1.7795 3.1684e+05 2024-05-18 00:25:27,518 INFO [main.py:798]
{rank 0/64} MD step = 158100 step time: 00:00:00.340323 Performance: 25.759 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:26:03,446 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 91.116 -18843 9986.4 -28829 -28829 3.3034 0.030897 -1.7806 3.1701e+05 2024-05-18 00:26:43,285 INFO [main.py:798]
{rank 0/64} MD step = 158200 step time: 00:00:00.363121 Performance: 25.757 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:27:11,505 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 90.221 -18961 9888.4 -28849 -28849 3.3049 0.029106 -1.7814 3.1722e+05 2024-05-18 00:27:45,990 INFO [main.py:798]
{rank 0/64} MD step = 158300 step time: 00:00:00.347782 Performance: 25.758 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:28:05,810 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 90 -19115 9864.1 -28979 -28979 3.3074 0.028268 -1.7833 3.1735e+05 2024-05-18 00:28:44,581 INFO [main.py:798]
{rank 0/64} MD step = 158400 step time: 00:00:00.355143 Performance: 25.760 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:29:16,132 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 89.619 -19032 9822.4 -28854 -28854 3.3114 0.027335 -1.7834 3.1754e+05 2024-05-18 00:29:51,537 INFO [main.py:798]
{rank 0/64} MD step = 158500 step time: 00:00:00.351696 Performance: 25.761 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:30:22,489 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 90.785 -18947 9950.1 -28897 -28897 3.313 0.025963 -1.7855 3.1772e+05 2024-05-18 00:30:59,574 INFO [main.py:798]
{rank 0/64} MD step = 158600 step time: 00:00:00.334153 Performance: 25.760 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:31:12,176 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 90.213 -18995 9887.5 -28882 -28882 3.3134 0.025278 -1.7854 3.1789e+05 2024-05-18 00:32:17,386 INFO [main.py:798]
{rank 0/64} MD step = 158700 step time: 00:00:00.328008 Performance: 25.758 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:32:47,758 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 90.132 -19022 9878.6 -28901 -28901 3.3149 0.024811 -1.7869 3.1809e+05 2024-05-18 00:33:22,474 INFO [main.py:798]
{rank 0/64} MD step = 158800 step time: 00:00:00.369465 Performance: 25.758 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 00:34:08,254 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 90.885 -18824 9961.1 -28785 -28785 3.3184 0.022668 -1.7858 3.1831e+05 2024-05-18 00:34:44,018 INFO [main.py:798]
{rank 0/64} MD step = 158900 step time: 00:00:00.347247 Performance: 25.755 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-18 00:35:30,402 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 90.139 -19132 9879.4 -29011 -29011 3.3211 0.019982 -1.7869 3.1849e+05 2024-05-18 00:36:08,517 INFO [main.py:798]
{rank 0/64} MD step = 159000 step time: 00:00:00.360388 Performance: 25.750 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-18 00:36:40,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159000 31800 89.52 -19282 9811.5 -29093 -29093 3.325 0.017906 -1.7893 3.1867e+05 2024-05-18 00:37:15,227 INFO [main.py:798]
{rank 0/64} MD step = 159100 step time: 00:00:00.375173 Performance: 25.751 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-18 00:38:00,902 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 90.945 -18870 9967.7 -28837 -28837 3.3274 0.016782 -1.7899 3.1893e+05 2024-05-18 00:38:36,515 INFO [main.py:798]
{rank 0/64} MD step = 159200 step time: 00:00:00.352878 Performance: 25.747 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-18 00:39:43,796 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 89.349 -19290 9792.8 -29082 -29082 3.331 0.016134 -1.7903 3.1908e+05 2024-05-18 00:40:20,525 INFO [main.py:798]
{rank 0/64} MD step = 159300 step time: 00:00:00.367884 Performance: 25.738 ns/day 0.932 hours/ns 1.489 steps/s 2024-05-18 00:40:57,735 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 90.094 -19168 9874.4 -29042 -29042 3.3343 0.013915 -1.7915 3.1929e+05 2024-05-18 00:41:32,392 INFO [main.py:798]
{rank 0/64} MD step = 159400 step time: 00:00:00.353087 Performance: 25.737 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:42:06,566 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 89.632 -18979 9823.7 -28803 -28803 3.335 0.011953 -1.7925 3.1953e+05 2024-05-18 00:42:42,021 INFO [main.py:798]
{rank 0/64} MD step = 159500 step time: 00:00:00.356883 Performance: 25.737 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:43:11,338 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 90.378 -18998 9905.6 -28904 -28904 3.3401 0.010534 -1.7935 3.1969e+05 2024-05-18 00:43:56,983 INFO [main.py:798]
{rank 0/64} MD step = 159600 step time: 00:00:00.365454 Performance: 25.735 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:44:35,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159600 31920 91.259 -18960 10002 -28962 -28962 3.3428 0.009372 -1.7953 3.1989e+05 2024-05-18 00:45:11,253 INFO [main.py:798]
{rank 0/64} MD step = 159700 step time: 00:00:00.352261 Performance: 25.733 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:45:59,696 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 90.178 -19153 9883.7 -29037 -29037 3.3454 0.00861 -1.796 3.201e+05 2024-05-18 00:46:35,459 INFO [main.py:798]
{rank 0/64} MD step = 159800 step time: 00:00:00.354621 Performance: 25.729 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:47:13,269 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 89.905 -19012 9853.8 -28865 -28865 3.3449 0.0075433 -1.7966 3.2029e+05 2024-05-18 00:47:49,154 INFO [main.py:798]
{rank 0/64} MD step = 159900 step time: 00:00:00.360163 Performance: 25.727 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:48:25,071 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 89.758 -19175 9837.6 -29013 -29013 3.3486 0.0060194 -1.7975 3.2045e+05 2024-05-18 00:49:06,531 INFO [main.py:798]
{rank 0/64} MD step = 160000 step time: 00:00:00.340547 Performance: 25.725 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:49:42,285 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 90.849 -18616 9957.2 -28573 -28573 3.3502 0.0065527 -1.7981 3.2069e+05 2024-05-18 00:50:17,325 INFO [main.py:798]
{rank 0/64} MD step = 160100 step time: 00:00:00.348090 Performance: 25.724 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:50:54,445 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 89.503 -18976 9809.7 -28786 -28786 3.3512 0.0060956 -1.7976 3.2088e+05 2024-05-18 00:51:31,107 INFO [main.py:798]
{rank 0/64} MD step = 160200 step time: 00:00:00.364805 Performance: 25.722 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 00:52:28,385 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 89.766 -19032 9838.5 -28871 -28871 3.3554 0.0036573 -1.7977 3.2112e+05 2024-05-18 00:53:05,698 INFO [main.py:798]
{rank 0/64} MD step = 160300 step time: 00:00:00.352094 Performance: 25.716 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-18 00:53:47,051 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 89.078 -19038 9763 -28801 -28801 3.3599 0.0016001 -1.7969 3.2132e+05 2024-05-18 00:54:28,816 INFO [main.py:798]
{rank 0/64} MD step = 160400 step time: 00:00:00.357076 Performance: 25.712 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-18 00:55:04,590 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 90.542 -19089 9923.5 -29013 -29013 3.3631 0.0015263 -1.7945 3.2151e+05 2024-05-18 00:55:43,063 INFO [main.py:798]
{rank 0/64} MD step = 160500 step time: 00:00:00.354379 Performance: 25.710 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-18 00:56:07,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160500 32100 89.285 -19023 9785.8 -28809 -28809 3.3673 -0.00053336 -1.7951 3.2174e+05 2024-05-18 00:56:55,759 INFO [main.py:798]
{rank 0/64} MD step = 160600 step time: 00:00:00.333909 Performance: 25.709 ns/day 0.934 hours/ns 1.488 steps/s 2024-05-18 00:57:57,744 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 89.338 -19105 9791.5 -28897 -28897 3.3699 -0.00026668 -1.7954 3.2196e+05 2024-05-18 00:58:40,568 INFO [main.py:798]
{rank 0/64} MD step = 160700 step time: 00:00:00.377336 Performance: 25.700 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 00:59:12,797 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 89.86 -18975 9848.7 -28823 -28823 3.373 -0.00085719 -1.7959 3.2214e+05 2024-05-18 00:59:49,045 INFO [main.py:798]
{rank 0/64} MD step = 160800 step time: 00:00:00.361463 Performance: 25.700 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:00:27,860 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 90.206 -19061 9886.7 -28947 -28947 3.3753 -0.0044574 -1.7955 3.2238e+05 2024-05-18 01:01:04,768 INFO [main.py:798]
{rank 0/64} MD step = 160900 step time: 00:00:00.380090 Performance: 25.698 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:01:54,533 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 89.64 -19148 9824.7 -28972 -28972 3.3811 -0.0055813 -1.7969 3.2261e+05 2024-05-18 01:02:29,330 INFO [main.py:798]
{rank 0/64} MD step = 161000 step time: 00:00:00.341821 Performance: 25.694 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:02:53,419 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 89.588 -19063 9818.9 -28881 -28881 3.3853 -0.0076957 -1.797 3.228e+05 2024-05-18 01:03:35,982 INFO [main.py:798]
{rank 0/64} MD step = 161100 step time: 00:00:00.375807 Performance: 25.694 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:04:06,504 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 89.592 -19206 9819.4 -29026 -29026 3.3899 -0.009272 -1.7962 3.2298e+05 2024-05-18 01:04:41,625 INFO [main.py:798]
{rank 0/64} MD step = 161200 step time: 00:00:00.351463 Performance: 25.694 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:05:28,852 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 90.558 -19082 9925.3 -29007 -29007 3.3919 -0.012039 -1.7958 3.2315e+05 2024-05-18 01:06:03,814 INFO [main.py:798]
{rank 0/64} MD step = 161300 step time: 00:00:00.356216 Performance: 25.691 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:06:20,336 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 90.125 -19162 9877.8 -29040 -29040 3.3949 -0.013906 -1.7961 3.2335e+05 2024-05-18 01:07:00,010 INFO [main.py:798]
{rank 0/64} MD step = 161400 step time: 00:00:00.352741 Performance: 25.693 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:07:34,212 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 89.192 -19388 9775.6 -29164 -29164 3.3972 -0.015544 -1.7961 3.2354e+05 2024-05-18 01:08:09,466 INFO [main.py:798]
{rank 0/64} MD step = 161500 step time: 00:00:00.346056 Performance: 25.693 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:08:41,531 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 89.945 -19035 9858 -28893 -28893 3.4013 -0.016915 -1.7967 3.2376e+05 2024-05-18 01:09:16,122 INFO [main.py:798]
{rank 0/64} MD step = 161600 step time: 00:00:00.349469 Performance: 25.693 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:09:57,775 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 89.873 -19150 9850.2 -29000 -29000 3.4042 -0.018096 -1.7973 3.2396e+05 2024-05-18 01:10:37,231 INFO [main.py:798]
{rank 0/64} MD step = 161700 step time: 00:00:00.350039 Performance: 25.690 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:10:54,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161700 32340 89.758 -19201 9837.6 -29038 -29038 3.408 -0.018772 -1.798 3.2421e+05 2024-05-18 01:11:35,818 INFO [main.py:798]
{rank 0/64} MD step = 161800 step time: 00:00:00.377364 Performance: 25.692 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:12:03,004 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 89.657 -19066 9826.5 -28893 -28893 3.4095 -0.019544 -1.7977 3.2445e+05 2024-05-18 01:12:39,310 INFO [main.py:798]
{rank 0/64} MD step = 161900 step time: 00:00:00.374360 Performance: 25.693 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:13:04,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161900 32380 90.385 -18921 9906.3 -28827 -28827 3.4118 -0.021563 -1.7977 3.2464e+05 2024-05-18 01:13:56,910 INFO [main.py:798]
{rank 0/64} MD step = 162000 step time: 00:00:00.363526 Performance: 25.690 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:14:17,478 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 89.875 -19139 9850.4 -28989 -28989 3.4121 -0.022458 -1.7994 3.2478e+05 2024-05-18 01:14:53,498 INFO [main.py:798]
{rank 0/64} MD step = 162100 step time: 00:00:00.343389 Performance: 25.693 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:15:32,686 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 90.125 -19013 9877.8 -28891 -28891 3.4147 -0.02263 -1.7995 3.2503e+05 2024-05-18 01:16:07,496 INFO [main.py:798]
{rank 0/64} MD step = 162200 step time: 00:00:00.356780 Performance: 25.691 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:16:38,592 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 91.016 -18940 9975.5 -28916 -28916 3.4167 -0.024516 -1.7988 3.2521e+05 2024-05-18 01:17:17,839 INFO [main.py:798]
{rank 0/64} MD step = 162300 step time: 00:00:00.343297 Performance: 25.690 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:17:53,225 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 89.917 -18791 9855 -28646 -28646 3.4194 -0.02623 -1.7977 3.2544e+05 2024-05-18 01:18:29,103 INFO [main.py:798]
{rank 0/64} MD step = 162400 step time: 00:00:00.331754 Performance: 25.689 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:18:58,084 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 90.273 -19072 9894.1 -28966 -28966 3.4245 -0.028687 -1.7975 3.256e+05 2024-05-18 01:19:35,207 INFO [main.py:798]
{rank 0/64} MD step = 162500 step time: 00:00:00.349099 Performance: 25.690 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 01:20:17,814 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 88.82 -19126 9734.8 -28860 -28860 3.4283 -0.029049 -1.7975 3.2582e+05 2024-05-18 01:20:55,775 INFO [main.py:798]
{rank 0/64} MD step = 162600 step time: 00:00:00.390518 Performance: 25.687 ns/day 0.934 hours/ns 1.486 steps/s 2024-05-18 01:21:47,157 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 91.072 -18905 9981.6 -28887 -28887 3.4328 -0.028821 -1.7959 3.2601e+05 2024-05-18 01:22:22,401 INFO [main.py:798]
{rank 0/64} MD step = 162700 step time: 00:00:00.381242 Performance: 25.682 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-18 01:22:47,732 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 90.559 -18913 9925.4 -28838 -28838 3.4365 -0.02804 -1.7945 3.2622e+05 2024-05-18 01:23:33,627 INFO [main.py:798]
{rank 0/64} MD step = 162800 step time: 00:00:00.356524 Performance: 25.681 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-18 01:24:16,514 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 89.979 -18985 9861.8 -28847 -28847 3.4392 -0.029144 -1.7949 3.2641e+05 2024-05-18 01:24:53,077 INFO [main.py:798]
{rank 0/64} MD step = 162900 step time: 00:00:00.335649 Performance: 25.678 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-18 01:25:46,738 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 90.28 -18931 9894.9 -28826 -28826 3.4415 -0.03063 -1.7952 3.2659e+05 2024-05-18 01:26:30,106 INFO [main.py:798]
{rank 0/64} MD step = 163000 step time: 00:00:00.360959 Performance: 25.671 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-18 01:27:45,906 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 89.266 -18980 9783.7 -28763 -28763 3.4447 -0.031545 -1.7961 3.2679e+05 2024-05-18 01:28:19,994 INFO [main.py:798]
{rank 0/64} MD step = 163100 step time: 00:00:00.338514 Performance: 25.661 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 01:28:51,388 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 90.148 -18949 9880.4 -28830 -28830 3.4503 -0.033807 -1.7975 3.2701e+05 2024-05-18 01:29:27,741 INFO [main.py:798]
{rank 0/64} MD step = 163200 step time: 00:00:00.360670 Performance: 25.661 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 01:29:54,218 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 90.441 -19214 9912.4 -29127 -29127 3.4545 -0.033688 -1.7977 3.2722e+05 2024-05-18 01:30:29,660 INFO [main.py:798]
{rank 0/64} MD step = 163300 step time: 00:00:00.345669 Performance: 25.663 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 01:30:47,815 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 91.157 -19081 9991 -29072 -29072 3.4577 -0.036459 -1.7978 3.2735e+05 2024-05-18 01:31:47,000 INFO [main.py:798]
{rank 0/64} MD step = 163400 step time: 00:00:00.343713 Performance: 25.660 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 01:32:18,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163400 32680 91.398 -18936 10017 -28954 -28954 3.4611 -0.035183 -1.7981 3.2764e+05 2024-05-18 01:32:53,724 INFO [main.py:798]
{rank 0/64} MD step = 163500 step time: 00:00:00.856045 Performance: 25.660 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 01:33:29,002 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 90.681 -18958 9938.7 -28897 -28897 3.4639 -0.037831 -1.7991 3.278e+05 2024-05-18 01:34:04,916 INFO [main.py:798]
{rank 0/64} MD step = 163600 step time: 00:00:00.341494 Performance: 25.659 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 01:34:50,468 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 91.789 -18611 10060 -28671 -28671 3.468 -0.038459 -1.8015 3.2802e+05 2024-05-18 01:35:27,408 INFO [main.py:798]
{rank 0/64} MD step = 163700 step time: 00:00:00.355791 Performance: 25.656 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 01:35:59,347 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 89.725 -19145 9834 -28979 -28979 3.4717 -0.038602 -1.8006 3.282e+05 2024-05-18 01:36:34,271 INFO [main.py:798]
{rank 0/64} MD step = 163800 step time: 00:00:00.335079 Performance: 25.656 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 01:37:13,599 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 90.186 -18817 9884.5 -28702 -28702 3.4759 -0.039907 -1.8008 3.2843e+05 2024-05-18 01:37:48,446 INFO [main.py:798]
{rank 0/64} MD step = 163900 step time: 00:00:00.343892 Performance: 25.654 ns/day 0.936 hours/ns 1.485 steps/s 2024-05-18 01:38:23,198 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 90.485 -18972 9917.3 -28890 -28890 3.4808 -0.041469 -1.8012 3.2861e+05 2024-05-18 01:39:03,000 INFO [main.py:798]
{rank 0/64} MD step = 164000 step time: 00:00:00.348417 Performance: 25.653 ns/day 0.936 hours/ns 1.485 steps/s 2024-05-18 01:39:46,698 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 91.15 -18951 9990.2 -28942 -28942 3.4853 -0.043088 -1.8034 3.2876e+05 2024-05-18 01:40:22,536 INFO [main.py:798]
{rank 0/64} MD step = 164100 step time: 00:00:00.350644 Performance: 25.650 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:40:56,117 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 89.57 -18796 9817 -28613 -28613 3.4894 -0.044098 -1.805 3.2902e+05 2024-05-18 01:41:30,723 INFO [main.py:798]
{rank 0/64} MD step = 164200 step time: 00:00:00.344135 Performance: 25.650 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:42:04,907 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 88.983 -19118 9752.7 -28870 -28870 3.4911 -0.047179 -1.8048 3.292e+05 2024-05-18 01:42:55,052 INFO [main.py:798]
{rank 0/64} MD step = 164300 step time: 00:00:00.347707 Performance: 25.646 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:43:35,482 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 90.097 -18947 9874.8 -28822 -28822 3.494 -0.049546 -1.8052 3.2941e+05 2024-05-18 01:44:12,699 INFO [main.py:798]
{rank 0/64} MD step = 164400 step time: 00:00:00.352569 Performance: 25.643 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:44:41,892 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 91.331 -18558 10010 -28568 -28568 3.4977 -0.050441 -1.8049 3.2965e+05 2024-05-18 01:45:16,581 INFO [main.py:798]
{rank 0/64} MD step = 164500 step time: 00:00:00.332973 Performance: 25.644 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:45:46,791 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 89.904 -18815 9853.6 -28668 -28668 3.5025 -0.052422 -1.8059 3.2986e+05 2024-05-18 01:46:31,467 INFO [main.py:798]
{rank 0/64} MD step = 164600 step time: 00:00:00.348066 Performance: 25.643 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:46:56,473 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 89.87 -18802 9849.8 -28652 -28652 3.5059 -0.055441 -1.8051 3.3008e+05 2024-05-18 01:47:31,308 INFO [main.py:798]
{rank 0/64} MD step = 164700 step time: 00:00:00.338566 Performance: 25.644 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:47:51,839 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 89.593 -18955 9819.5 -28774 -28774 3.5077 -0.055584 -1.8043 3.3025e+05 2024-05-18 01:48:28,005 INFO [main.py:798]
{rank 0/64} MD step = 164800 step time: 00:00:00.343102 Performance: 25.647 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:49:12,246 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 90.609 -18800 9930.8 -28731 -28731 3.5105 -0.056822 -1.8048 3.3044e+05 2024-05-18 01:49:49,230 INFO [main.py:798]
{rank 0/64} MD step = 164900 step time: 00:00:00.346931 Performance: 25.644 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:50:19,843 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 90.313 -18720 9898.5 -28619 -28619 3.5156 -0.061032 -1.8051 3.3067e+05 2024-05-18 01:50:59,114 INFO [main.py:798]
{rank 0/64} MD step = 165000 step time: 00:00:00.336734 Performance: 25.643 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:51:19,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165000 33000 89.92 -18831 9855.4 -28686 -28686 3.5205 -0.063432 -1.8047 3.3085e+05 2024-05-18 01:51:54,085 INFO [main.py:798]
{rank 0/64} MD step = 165100 step time: 00:00:00.350119 Performance: 25.646 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:52:26,564 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 88.281 -19165 9675.7 -28841 -28841 3.5225 -0.066099 -1.804 3.3103e+05 2024-05-18 01:53:03,438 INFO [main.py:798]
{rank 0/64} MD step = 165200 step time: 00:00:00.378421 Performance: 25.645 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:53:38,120 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 90.692 -18851 9939.9 -28791 -28791 3.5255 -0.066728 -1.8021 3.3127e+05 2024-05-18 01:54:15,586 INFO [main.py:798]
{rank 0/64} MD step = 165300 step time: 00:00:00.342860 Performance: 25.644 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:54:50,051 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 90.691 -18554 9939.8 -28494 -28494 3.5275 -0.068118 -1.8016 3.3151e+05 2024-05-18 01:55:25,796 INFO [main.py:798]
{rank 0/64} MD step = 165400 step time: 00:00:00.346750 Performance: 25.644 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:56:29,943 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 89.489 -18802 9808.1 -28610 -28610 3.5317 -0.069147 -1.8033 3.3169e+05 2024-05-18 01:57:05,828 INFO [main.py:798]
{rank 0/64} MD step = 165500 step time: 00:00:00.381781 Performance: 25.636 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:57:39,895 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 90.075 -18538 9872.4 -28410 -28410 3.5366 -0.069432 -1.8027 3.3189e+05 2024-05-18 01:58:17,463 INFO [main.py:798]
{rank 0/64} MD step = 165600 step time: 00:00:00.346727 Performance: 25.635 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 01:59:10,562 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 89.971 -18990 9860.9 -28851 -28851 3.5406 -0.071014 -1.8035 3.3202e+05 2024-05-18 01:59:50,081 INFO [main.py:798]
{rank 0/64} MD step = 165700 step time: 00:00:00.350040 Performance: 25.629 ns/day 0.936 hours/ns 1.483 steps/s 2024-05-18 02:00:48,103 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 90.608 -18769 9930.8 -28699 -28699 3.5477 -0.071566 -1.8043 3.3224e+05 2024-05-18 02:01:23,937 INFO [main.py:798]
{rank 0/64} MD step = 165800 step time: 00:00:00.352713 Performance: 25.623 ns/day 0.937 hours/ns 1.483 steps/s 2024-05-18 02:01:45,338 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 90.126 -18793 9877.9 -28671 -28671 3.5512 -0.071547 -1.8046 3.3248e+05 2024-05-18 02:02:23,406 INFO [main.py:798]
{rank 0/64} MD step = 165900 step time: 00:00:00.348221 Performance: 25.625 ns/day 0.937 hours/ns 1.483 steps/s 2024-05-18 02:02:48,990 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 91.159 -18765 9991.2 -28756 -28756 3.5548 -0.073604 -1.803 3.3262e+05 2024-05-18 02:03:23,381 INFO [main.py:798]
{rank 0/64} MD step = 166000 step time: 00:00:00.336339 Performance: 25.627 ns/day 0.937 hours/ns 1.483 steps/s 2024-05-18 02:04:35,804 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 89.933 -18828 9856.7 -28685 -28685 3.5574 -0.075004 -1.8029 3.3286e+05 2024-05-18 02:05:11,302 INFO [main.py:798]
{rank 0/64} MD step = 166100 step time: 00:00:00.348343 Performance: 25.618 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-18 02:06:23,174 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 90.524 -18786 9921.6 -28708 -28708 3.5625 -0.077662 -1.8022 3.3311e+05 2024-05-18 02:07:01,636 INFO [main.py:798]
{rank 0/64} MD step = 166200 step time: 00:00:00.346303 Performance: 25.608 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-18 02:07:22,576 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 89.665 -18834 9827.4 -28662 -28662 3.5679 -0.079347 -1.8035 3.3331e+05 2024-05-18 02:08:05,828 INFO [main.py:798]
{rank 0/64} MD step = 166300 step time: 00:00:00.340037 Performance: 25.609 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-18 02:09:07,370 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 89.897 -18801 9852.8 -28654 -28654 3.5704 -0.0797 -1.8047 3.335e+05 2024-05-18 02:09:43,113 INFO [main.py:798]
{rank 0/64} MD step = 166400 step time: 00:00:00.352426 Performance: 25.602 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-18 02:10:28,852 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 90.873 -18710 9959.8 -28670 -28670 3.5736 -0.080643 -1.8043 3.3368e+05 2024-05-18 02:11:04,350 INFO [main.py:798]
{rank 0/64} MD step = 166500 step time: 00:00:00.349040 Performance: 25.599 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:12:19,481 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 88.757 -18944 9727.9 -28672 -28672 3.5778 -0.081233 -1.8049 3.3389e+05 2024-05-18 02:12:55,393 INFO [main.py:798]
{rank 0/64} MD step = 166600 step time: 00:00:00.349050 Performance: 25.589 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:13:29,042 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 89.07 -18802 9762.2 -28564 -28564 3.5816 -0.083052 -1.8046 3.3412e+05 2024-05-18 02:14:04,611 INFO [main.py:798]
{rank 0/64} MD step = 166700 step time: 00:00:00.358275 Performance: 25.588 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:14:59,336 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 90.842 -18721 9956.4 -28678 -28678 3.5876 -0.083795 -1.8028 3.3431e+05 2024-05-18 02:15:35,581 INFO [main.py:798]
{rank 0/64} MD step = 166800 step time: 00:00:00.356002 Performance: 25.583 ns/day 0.938 hours/ns 1.480 steps/s 2024-05-18 02:16:15,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166800 33360 90.585 -18664 9928.2 -28592 -28592 3.5898 -0.084424 -1.8037 3.3451e+05 2024-05-18 02:16:55,811 INFO [main.py:798]
{rank 0/64} MD step = 166900 step time: 00:00:00.353245 Performance: 25.580 ns/day 0.938 hours/ns 1.480 steps/s 2024-05-18 02:17:12,191 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 89.658 -18832 9826.6 -28659 -28659 3.5933 -0.085529 -1.8031 3.3468e+05 2024-05-18 02:17:47,161 INFO [main.py:798]
{rank 0/64} MD step = 167000 step time: 00:00:00.342216 Performance: 25.584 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:18:16,146 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 90.578 -18761 9927.4 -28688 -28688 3.5972 -0.086786 -1.8033 3.3491e+05 2024-05-18 02:18:51,162 INFO [main.py:798]
{rank 0/64} MD step = 167100 step time: 00:00:00.354021 Performance: 25.585 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:19:15,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167100 33420 90.201 -18763 9886.2 -28649 -28649 3.6001 -0.087548 -1.808 3.3509e+05 2024-05-18 02:19:59,546 INFO [main.py:798]
{rank 0/64} MD step = 167200 step time: 00:00:00.329103 Performance: 25.584 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:20:20,670 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 89.801 -19054 9842.3 -28896 -28896 3.6029 -0.090386 -1.8087 3.3526e+05 2024-05-18 02:20:55,339 INFO [main.py:798]
{rank 0/64} MD step = 167300 step time: 00:00:00.351759 Performance: 25.587 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:21:30,213 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 89.228 -19050 9779.5 -28830 -28830 3.6057 -0.09111 -1.8093 3.3549e+05 2024-05-18 02:22:04,880 INFO [main.py:798]
{rank 0/64} MD step = 167400 step time: 00:00:00.354340 Performance: 25.587 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:22:23,929 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 89.1 -18997 9765.5 -28763 -28763 3.6101 -0.09372 -1.8091 3.3564e+05 2024-05-18 02:22:58,817 INFO [main.py:798]
{rank 0/64} MD step = 167500 step time: 00:00:00.353625 Performance: 25.590 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:23:31,554 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 89.058 -18804 9760.9 -28565 -28565 3.6142 -0.095472 -1.8085 3.3584e+05 2024-05-18 02:24:07,056 INFO [main.py:798]
{rank 0/64} MD step = 167600 step time: 00:00:00.362767 Performance: 25.590 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:24:22,036 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 89.259 -18816 9782.9 -28599 -28599 3.6163 -0.095463 -1.8085 3.3604e+05 2024-05-18 02:25:04,172 INFO [main.py:798]
{rank 0/64} MD step = 167700 step time: 00:00:00.349375 Performance: 25.592 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:25:50,995 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 90.624 -18784 9932.5 -28716 -28716 3.6204 -0.095843 -1.8091 3.363e+05 2024-05-18 02:26:26,536 INFO [main.py:798]
{rank 0/64} MD step = 167800 step time: 00:00:00.350837 Performance: 25.589 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:26:53,486 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 89.612 -18838 9821.6 -28660 -28660 3.6235 -0.097796 -1.8091 3.3648e+05 2024-05-18 02:27:30,985 INFO [main.py:798]
{rank 0/64} MD step = 167900 step time: 00:00:00.333720 Performance: 25.589 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:28:15,802 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 90.088 -18722 9873.7 -28596 -28596 3.6289 -0.098006 -1.8095 3.3668e+05 2024-05-18 02:28:51,656 INFO [main.py:798]
{rank 0/64} MD step = 168000 step time: 00:00:00.327949 Performance: 25.586 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:29:31,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168000 33600 90.429 -18719 9911.2 -28630 -28630 3.633 -0.097225 -1.8086 3.3684e+05 2024-05-18 02:30:07,323 INFO [main.py:798]
{rank 0/64} MD step = 168100 step time: 00:00:00.348500 Performance: 25.584 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:30:40,882 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 90.998 -18660 9973.5 -28633 -28633 3.6397 -0.098082 -1.8094 3.3709e+05 2024-05-18 02:31:21,681 INFO [main.py:798]
{rank 0/64} MD step = 168200 step time: 00:00:00.374137 Performance: 25.583 ns/day 0.938 hours/ns 1.480 steps/s 2024-05-18 02:31:41,703 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 88.517 -19185 9701.6 -28887 -28887 3.6414 -0.10035 -1.8113 3.3725e+05 2024-05-18 02:32:20,746 INFO [main.py:798]
{rank 0/64} MD step = 168300 step time: 00:00:00.372995 Performance: 25.585 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:33:03,977 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 90.203 -18845 9886.3 -28731 -28731 3.6466 -0.10132 -1.8125 3.3745e+05 2024-05-18 02:33:38,630 INFO [main.py:798]
{rank 0/64} MD step = 168400 step time: 00:00:00.333902 Performance: 25.582 ns/day 0.938 hours/ns 1.480 steps/s 2024-05-18 02:33:54,609 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 89.966 -18947 9860.4 -28808 -28808 3.648 -0.1005 -1.812 3.3765e+05 2024-05-18 02:34:28,890 INFO [main.py:798]
{rank 0/64} MD step = 168500 step time: 00:00:00.347980 Performance: 25.586 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:34:35,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168500 33700 89.476 -19114 9806.7 -28920 -28920 3.6516 -0.099929 -1.8133 3.3787e+05 2024-05-18 02:35:09,590 INFO [main.py:798]
{rank 0/64} MD step = 168600 step time: 00:00:00.354646 Performance: 25.592 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:35:17,536 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 90.047 -18906 9869.3 -28776 -28776 3.6557 -0.10267 -1.8117 3.3806e+05 2024-05-18 02:35:52,050 INFO [main.py:798]
{rank 0/64} MD step = 168700 step time: 00:00:00.331477 Performance: 25.598 ns/day 0.938 hours/ns 1.481 steps/s 2024-05-18 02:35:59,439 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 89.891 -18798 9852.2 -28650 -28650 3.6606 -0.1017 -1.8104 3.3824e+05 2024-05-18 02:36:33,015 INFO [main.py:798]
{rank 0/64} MD step = 168800 step time: 00:00:00.329145 Performance: 25.604 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-18 02:36:37,548 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 90.169 -18995 9882.7 -28878 -28878 3.6658 -0.10096 -1.811 3.3848e+05 2024-05-18 02:37:16,695 INFO [main.py:798]
{rank 0/64} MD step = 168900 step time: 00:00:00.386157 Performance: 25.609 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-18 02:37:23,911 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 90.019 -19119 9866.2 -28985 -28985 3.6702 -0.10279 -1.8122 3.3864e+05 2024-05-18 02:37:59,380 INFO [main.py:798]
{rank 0/64} MD step = 169000 step time: 00:00:00.360158 Performance: 25.615 ns/day 0.937 hours/ns 1.482 steps/s 2024-05-18 02:38:05,488 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 91.465 -18701 10025 -28725 -28725 3.672 -0.10294 -1.8103 3.3885e+05 2024-05-18 02:38:40,605 INFO [main.py:798]
{rank 0/64} MD step = 169100 step time: 00:00:00.360695 Performance: 25.621 ns/day 0.937 hours/ns 1.483 steps/s 2024-05-18 02:38:47,793 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 90.533 -18713 9922.6 -28636 -28636 3.6773 -0.10206 -1.8127 3.3905e+05 2024-05-18 02:39:22,393 INFO [main.py:798]
{rank 0/64} MD step = 169200 step time: 00:00:00.336797 Performance: 25.627 ns/day 0.937 hours/ns 1.483 steps/s 2024-05-18 02:39:31,009 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 90.933 -18709 9966.3 -28675 -28675 3.6804 -0.10399 -1.8125 3.3922e+05 2024-05-18 02:40:05,621 INFO [main.py:798]
{rank 0/64} MD step = 169300 step time: 00:00:00.341009 Performance: 25.632 ns/day 0.936 hours/ns 1.483 steps/s 2024-05-18 02:40:19,393 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 90.338 -18797 9901.2 -28698 -28698 3.6857 -0.10637 -1.8123 3.3942e+05 2024-05-18 02:40:53,753 INFO [main.py:798]
{rank 0/64} MD step = 169400 step time: 00:00:00.353537 Performance: 25.636 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 02:41:02,211 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 90.023 -18913 9866.6 -28780 -28780 3.6915 -0.10677 -1.8119 3.3962e+05 2024-05-18 02:41:38,273 INFO [main.py:798]
{rank 0/64} MD step = 169500 step time: 00:00:00.375192 Performance: 25.641 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 02:41:44,511 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 90.801 -18735 9951.9 -28687 -28687 3.6969 -0.10801 -1.8113 3.3982e+05 2024-05-18 02:42:19,363 INFO [main.py:798]
{rank 0/64} MD step = 169600 step time: 00:00:00.340525 Performance: 25.647 ns/day 0.936 hours/ns 1.484 steps/s 2024-05-18 02:42:27,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169600 33920 89.569 -19021 9816.9 -28838 -28838 3.7001 -0.10753 -1.8125 3.4002e+05 2024-05-18 02:43:02,568 INFO [main.py:798]
{rank 0/64} MD step = 169700 step time: 00:00:00.338779 Performance: 25.653 ns/day 0.936 hours/ns 1.485 steps/s 2024-05-18 02:43:09,586 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 89.327 -19111 9790.3 -28901 -28901 3.7057 -0.10801 -1.8122 3.4019e+05 2024-05-18 02:43:43,946 INFO [main.py:798]
{rank 0/64} MD step = 169800 step time: 00:00:00.347038 Performance: 25.659 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 02:43:51,905 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 89.551 -18952 9814.9 -28767 -28767 3.7088 -0.10806 -1.8118 3.4042e+05 2024-05-18 02:44:26,354 INFO [main.py:798]
{rank 0/64} MD step = 169900 step time: 00:00:00.360913 Performance: 25.664 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 02:44:35,978 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 90.102 -18798 9875.3 -28674 -28674 3.7116 -0.10919 -1.8127 3.406e+05 2024-05-18 02:45:11,221 INFO [main.py:798]
{rank 0/64} MD step = 170000 step time: 00:00:00.375524 Performance: 25.669 ns/day 0.935 hours/ns 1.485 steps/s 2024-05-18 02:45:20,707 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 90.893 -18709 9961.9 -28671 -28671 3.7148 -0.11029 -1.8127 3.4078e+05 2024-05-18 02:45:55,472 INFO [main.py:798]
{rank 0/64} MD step = 170100 step time: 00:00:00.352988 Performance: 25.674 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-18 02:46:02,556 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 89.279 -18877 9785.1 -28662 -28662 3.7194 -0.11056 -1.8132 3.41e+05 2024-05-18 02:46:37,412 INFO [main.py:798]
{rank 0/64} MD step = 170200 step time: 00:00:00.341462 Performance: 25.680 ns/day 0.935 hours/ns 1.486 steps/s 2024-05-18 02:46:49,591 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 89.785 -19009 9840.5 -28849 -28849 3.7241 -0.11293 -1.8138 3.4119e+05 2024-05-18 02:47:24,290 INFO [main.py:798]
{rank 0/64} MD step = 170300 step time: 00:00:00.350107 Performance: 25.685 ns/day 0.934 hours/ns 1.486 steps/s 2024-05-18 02:47:35,805 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 89.253 -18929 9782.2 -28712 -28712 3.7292 -0.11285 -1.8142 3.414e+05 2024-05-18 02:48:10,601 INFO [main.py:798]
{rank 0/64} MD step = 170400 step time: 00:00:00.365727 Performance: 25.689 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 02:48:18,774 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 91.703 -18612 10051 -28663 -28663 3.7325 -0.11284 -1.8144 3.4155e+05 2024-05-18 02:48:56,102 INFO [main.py:798]
{rank 0/64} MD step = 170500 step time: 00:00:00.379345 Performance: 25.694 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 02:49:04,712 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 90.758 -18764 9947.2 -28711 -28711 3.7357 -0.11275 -1.8146 3.4177e+05 2024-05-18 02:49:39,858 INFO [main.py:798]
{rank 0/64} MD step = 170600 step time: 00:00:00.354821 Performance: 25.699 ns/day 0.934 hours/ns 1.487 steps/s 2024-05-18 02:49:46,921 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 89.926 -18651 9856 -28507 -28507 3.7373 -0.11382 -1.8151 3.4201e+05 2024-05-18 02:50:21,525 INFO [main.py:798]
{rank 0/64} MD step = 170700 step time: 00:00:00.352823 Performance: 25.705 ns/day 0.934 hours/ns 1.488 steps/s 2024-05-18 02:50:37,904 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 89.605 -19011 9820.9 -28832 -28832 3.7391 -0.11523 -1.8165 3.4219e+05 2024-05-18 02:51:14,152 INFO [main.py:798]
{rank 0/64} MD step = 170800 step time: 00:00:00.334947 Performance: 25.708 ns/day 0.934 hours/ns 1.488 steps/s 2024-05-18 02:51:26,148 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 90.124 -18972 9877.7 -28850 -28850 3.7404 -0.11674 -1.8171 3.4237e+05 2024-05-18 02:52:02,890 INFO [main.py:798]
{rank 0/64} MD step = 170900 step time: 00:00:00.354041 Performance: 25.713 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-18 02:52:08,440 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 91.008 -18714 9974.6 -28688 -28688 3.7437 -0.11793 -1.8172 3.4261e+05 2024-05-18 02:52:42,653 INFO [main.py:798]
{rank 0/64} MD step = 171000 step time: 00:00:00.329811 Performance: 25.719 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-18 02:53:05,257 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 90.479 -19209 9916.6 -29125 -29125 3.7468 -0.12119 -1.8171 3.4275e+05 2024-05-18 02:53:40,854 INFO [main.py:798]
{rank 0/64} MD step = 171100 step time: 00:00:00.341454 Performance: 25.721 ns/day 0.933 hours/ns 1.488 steps/s 2024-05-18 02:53:48,671 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 89.41 -19207 9799.5 -29007 -29007 3.7503 -0.1227 -1.8177 3.4295e+05 2024-05-18 02:54:23,153 INFO [main.py:798]
{rank 0/64} MD step = 171200 step time: 00:00:00.327283 Performance: 25.726 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 02:54:54,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171200 34240 89.75 -19252 9836.7 -29089 -29089 3.7538 -0.12458 -1.8169 3.4311e+05 2024-05-18 02:55:31,391 INFO [main.py:798]
{rank 0/64} MD step = 171300 step time: 00:00:00.355562 Performance: 25.726 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 02:55:42,522 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 89.56 -19064 9815.9 -28880 -28880 3.7565 -0.12595 -1.8167 3.4334e+05 2024-05-18 02:56:17,427 INFO [main.py:798]
{rank 0/64} MD step = 171400 step time: 00:00:00.346757 Performance: 25.731 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 02:56:28,722 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 90.006 -19155 9864.8 -29020 -29020 3.7607 -0.12765 -1.8159 3.4352e+05 2024-05-18 02:57:03,733 INFO [main.py:798]
{rank 0/64} MD step = 171500 step time: 00:00:00.363776 Performance: 25.735 ns/day 0.933 hours/ns 1.489 steps/s 2024-05-18 02:57:11,251 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 90.886 -18876 9961.2 -28837 -28837 3.7629 -0.12842 -1.818 3.4376e+05 2024-05-18 02:57:45,633 INFO [main.py:798]
{rank 0/64} MD step = 171600 step time: 00:00:00.352290 Performance: 25.741 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-18 02:57:53,886 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 89.437 -19134 9802.4 -28937 -28937 3.7665 -0.12998 -1.8191 3.4398e+05 2024-05-18 02:58:27,992 INFO [main.py:798]
{rank 0/64} MD step = 171700 step time: 00:00:00.354403 Performance: 25.747 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-18 02:58:40,844 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 87.831 -19222 9626.4 -28848 -28848 3.7696 -0.13105 -1.8197 3.4414e+05 2024-05-18 02:59:16,311 INFO [main.py:798]
{rank 0/64} MD step = 171800 step time: 00:00:00.382636 Performance: 25.751 ns/day 0.932 hours/ns 1.490 steps/s 2024-05-18 02:59:25,314 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 90.227 -18880 9889 -28769 -28769 3.7726 -0.13302 -1.8204 3.4436e+05 2024-05-18 02:59:59,412 INFO [main.py:798]
{rank 0/64} MD step = 171900 step time: 00:00:00.332182 Performance: 25.756 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 03:00:07,731 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 89.816 -19035 9843.9 -28878 -28878 3.7766 -0.1357 -1.8197 3.4452e+05 2024-05-18 03:00:42,630 INFO [main.py:798]
{rank 0/64} MD step = 172000 step time: 00:00:00.336241 Performance: 25.762 ns/day 0.932 hours/ns 1.491 steps/s 2024-05-18 03:00:56,112 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 90.153 -19181 9880.8 -29062 -29062 3.7815 -0.13606 -1.8185 3.447e+05 2024-05-18 03:01:31,447 INFO [main.py:798]
{rank 0/64} MD step = 172100 step time: 00:00:00.334298 Performance: 25.766 ns/day 0.931 hours/ns 1.491 steps/s 2024-05-18 03:01:46,879 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 89.682 -19105 9829.2 -28934 -28934 3.7835 -0.13649 -1.8192 3.4496e+05 2024-05-18 03:02:21,710 INFO [main.py:798]
{rank 0/64} MD step = 172200 step time: 00:00:00.352992 Performance: 25.769 ns/day 0.931 hours/ns 1.491 steps/s 2024-05-18 03:02:28,494 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 89.235 -19052 9780.3 -28832 -28832 3.7888 -0.13951 -1.8206 3.4513e+05 2024-05-18 03:03:02,910 INFO [main.py:798]
{rank 0/64} MD step = 172300 step time: 00:00:00.344178 Performance: 25.775 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 03:03:09,078 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 89.219 -18990 9778.5 -28769 -28769 3.7924 -0.1396 -1.8197 3.4528e+05 2024-05-18 03:03:43,523 INFO [main.py:798]
{rank 0/64} MD step = 172400 step time: 00:00:00.348389 Performance: 25.781 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 03:03:52,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172400 34480 89.745 -19135 9836.2 -28971 -28971 3.7973 -0.13845 -1.8213 3.4546e+05 2024-05-18 03:04:26,589 INFO [main.py:798]
{rank 0/64} MD step = 172500 step time: 00:00:00.361615 Performance: 25.786 ns/day 0.931 hours/ns 1.492 steps/s 2024-05-18 03:04:31,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172500 34500 90.543 -18956 9923.6 -28879 -28879 3.7991 -0.14102 -1.8219 3.4568e+05 2024-05-18 03:05:07,341 INFO [main.py:798]
{rank 0/64} MD step = 172600 step time: 00:00:00.357073 Performance: 25.792 ns/day 0.931 hours/ns 1.493 steps/s 2024-05-18 03:05:13,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172600 34520 89.486 -19022 9807.8 -28829 -28829 3.8027 -0.14112 -1.8228 3.4589e+05 2024-05-18 03:05:49,008 INFO [main.py:798]
{rank 0/64} MD step = 172700 step time: 00:00:00.361213 Performance: 25.798 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-18 03:05:54,382 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 92.532 -18765 10142 -28906 -28906 3.8044 -0.1436 -1.8246 3.4607e+05 2024-05-18 03:06:28,847 INFO [main.py:798]
{rank 0/64} MD step = 172800 step time: 00:00:00.359159 Performance: 25.804 ns/day 0.930 hours/ns 1.493 steps/s 2024-05-18 03:06:33,421 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 89.547 -19301 9814.5 -29116 -29116 3.8074 -0.14447 -1.8258 3.4625e+05 2024-05-18 03:07:09,312 INFO [main.py:798]
{rank 0/64} MD step = 172900 step time: 00:00:00.333362 Performance: 25.810 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-18 03:07:16,165 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 90.654 -19053 9935.8 -28989 -28989 3.8106 -0.14464 -1.8256 3.4645e+05 2024-05-18 03:07:50,785 INFO [main.py:798]
{rank 0/64} MD step = 173000 step time: 00:00:00.358911 Performance: 25.816 ns/day 0.930 hours/ns 1.494 steps/s 2024-05-18 03:07:57,715 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 89.794 -18961 9841.5 -28803 -28803 3.8145 -0.14647 -1.8255 3.4668e+05 2024-05-18 03:08:31,876 INFO [main.py:798]
{rank 0/64} MD step = 173100 step time: 00:00:00.354146 Performance: 25.821 ns/day 0.929 hours/ns 1.494 steps/s 2024-05-18 03:08:39,481 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 90.744 -18965 9945.6 -28911 -28911 3.8171 -0.14776 -1.8259 3.4684e+05 2024-05-18 03:09:14,564 INFO [main.py:798]
{rank 0/64} MD step = 173200 step time: 00:00:00.358231 Performance: 25.827 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-18 03:09:20,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173200 34640 90.346 -18931 9902.1 -28833 -28833 3.8175 -0.15055 -1.8265 3.4708e+05 2024-05-18 03:09:55,363 INFO [main.py:798]
{rank 0/64} MD step = 173300 step time: 00:00:00.346225 Performance: 25.832 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-18 03:10:10,079 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 87.722 -19427 9614.4 -29041 -29041 3.8211 -0.15014 -1.8278 3.4724e+05 2024-05-18 03:10:45,234 INFO [main.py:798]
{rank 0/64} MD step = 173400 step time: 00:00:00.349379 Performance: 25.836 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-18 03:10:52,540 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 89.146 -19113 9770.5 -28884 -28884 3.8238 -0.15128 -1.8286 3.4743e+05 2024-05-18 03:11:29,172 INFO [main.py:798]
{rank 0/64} MD step = 173500 step time: 00:00:00.367464 Performance: 25.841 ns/day 0.929 hours/ns 1.495 steps/s 2024-05-18 03:11:35,850 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 89.366 -19237 9794.6 -29031 -29031 3.8273 -0.15307 -1.8288 3.476e+05 2024-05-18 03:12:10,418 INFO [main.py:798]
{rank 0/64} MD step = 173600 step time: 00:00:00.338795 Performance: 25.847 ns/day 0.929 hours/ns 1.496 steps/s 2024-05-18 03:12:19,766 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 91.624 -18912 10042 -28954 -28954 3.8298 -0.15468 -1.8314 3.4779e+05 2024-05-18 03:12:57,134 INFO [main.py:798]
{rank 0/64} MD step = 173700 step time: 00:00:00.327092 Performance: 25.852 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-18 03:13:05,023 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 91.219 -18996 9997.7 -28994 -28994 3.8317 -0.15689 -1.8318 3.4794e+05 2024-05-18 03:13:40,021 INFO [main.py:798]
{rank 0/64} MD step = 173800 step time: 00:00:00.327053 Performance: 25.857 ns/day 0.928 hours/ns 1.496 steps/s 2024-05-18 03:13:52,215 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 91.139 -19031 9988.9 -29020 -29020 3.834 -0.1582 -1.8312 3.4814e+05 2024-05-18 03:14:26,568 INFO [main.py:798]
{rank 0/64} MD step = 173900 step time: 00:00:00.342637 Performance: 25.861 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-18 03:14:35,661 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 91.346 -19104 10012 -29115 -29115 3.834 -0.15814 -1.831 3.4836e+05 2024-05-18 03:15:11,533 INFO [main.py:798]
{rank 0/64} MD step = 174000 step time: 00:00:00.359124 Performance: 25.866 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-18 03:15:20,833 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 90.756 -19118 9947 -29065 -29065 3.8346 -0.16068 -1.831 3.4857e+05 2024-05-18 03:15:55,895 INFO [main.py:798]
{rank 0/64} MD step = 174100 step time: 00:00:00.355106 Performance: 25.871 ns/day 0.928 hours/ns 1.497 steps/s 2024-05-18 03:16:02,140 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 90.171 -19136 9882.8 -29019 -29019 3.8347 -0.15963 -1.8305 3.4877e+05 2024-05-18 03:16:39,049 INFO [main.py:798]
{rank 0/64} MD step = 174200 step time: 00:00:00.348127 Performance: 25.877 ns/day 0.927 hours/ns 1.497 steps/s 2024-05-18 03:16:51,903 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 90.16 -19317 9881.7 -29199 -29199 3.8377 -0.15914 -1.8311 3.4891e+05 2024-05-18 03:17:27,419 INFO [main.py:798]
{rank 0/64} MD step = 174300 step time: 00:00:00.359671 Performance: 25.881 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-18 03:17:35,570 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 92.64 -19068 10153 -29221 -29221 3.8355 -0.15986 -1.8306 3.4911e+05 2024-05-18 03:18:10,359 INFO [main.py:798]
{rank 0/64} MD step = 174400 step time: 00:00:00.352200 Performance: 25.886 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-18 03:18:15,841 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 89.106 -19179 9766.1 -28945 -28945 3.8353 -0.16108 -1.8301 3.4933e+05 2024-05-18 03:18:50,074 INFO [main.py:798]
{rank 0/64} MD step = 174500 step time: 00:00:00.344500 Performance: 25.892 ns/day 0.927 hours/ns 1.498 steps/s 2024-05-18 03:18:55,631 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 89.038 -19184 9758.7 -28942 -28942 3.8371 -0.16236 -1.8312 3.4954e+05 2024-05-18 03:19:30,896 INFO [main.py:798]
{rank 0/64} MD step = 174600 step time: 00:00:00.346605 Performance: 25.898 ns/day 0.927 hours/ns 1.499 steps/s 2024-05-18 03:19:38,498 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 90.258 -19095 9892.4 -28987 -28987 3.8363 -0.16205 -1.8309 3.4974e+05 2024-05-18 03:20:12,675 INFO [main.py:798]
{rank 0/64} MD step = 174700 step time: 00:00:00.344877 Performance: 25.903 ns/day 0.927 hours/ns 1.499 steps/s 2024-05-18 03:20:23,842 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 91.403 -18764 10018 -28782 -28782 3.8351 -0.16355 -1.8316 3.4993e+05 2024-05-18 03:20:58,655 INFO [main.py:798]
{rank 0/64} MD step = 174800 step time: 00:00:00.353309 Performance: 25.908 ns/day 0.926 hours/ns 1.499 steps/s 2024-05-18 03:21:04,379 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 88.394 -19180 9688.1 -28869 -28869 3.8341 -0.16435 -1.8316 3.5011e+05 2024-05-18 03:21:38,904 INFO [main.py:798]
{rank 0/64} MD step = 174900 step time: 00:00:00.360539 Performance: 25.914 ns/day 0.926 hours/ns 1.500 steps/s 2024-05-18 03:21:44,416 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 90.743 -18859 9945.6 -28805 -28805 3.8323 -0.16393 -1.8319 3.5027e+05 2024-05-18 03:22:20,120 INFO [main.py:798]
{rank 0/64} MD step = 175000 step time: 00:00:00.352533 Performance: 25.919 ns/day 0.926 hours/ns 1.500 steps/s 2024-05-18 03:22:27,032 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 90.265 -19133 9893.2 -29026 -29026 3.8311 -0.16424 -1.8316 3.5051e+05 2024-05-18 03:23:02,283 INFO [main.py:798]
{rank 0/64} MD step = 175100 step time: 00:00:00.386306 Performance: 25.925 ns/day 0.926 hours/ns 1.500 steps/s 2024-05-18 03:23:07,494 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 90.067 -19180 9871.5 -29052 -29052 3.8316 -0.16407 -1.8325 3.507e+05 2024-05-18 03:23:47,678 INFO [main.py:798]
{rank 0/64} MD step = 175200 step time: 00:00:00.374824 Performance: 25.930 ns/day 0.926 hours/ns 1.501 steps/s 2024-05-18 03:23:58,194 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 90.077 -19145 9872.5 -29017 -29017 3.8317 -0.16544 -1.8323 3.5089e+05 2024-05-18 03:24:32,425 INFO [main.py:798]
{rank 0/64} MD step = 175300 step time: 00:00:00.353448 Performance: 25.934 ns/day 0.925 hours/ns 1.501 steps/s 2024-05-18 03:24:45,733 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 90.111 -19368 9876.3 -29244 -29244 3.8323 -0.16698 -1.8311 3.5109e+05 2024-05-18 03:25:19,974 INFO [main.py:798]
{rank 0/64} MD step = 175400 step time: 00:00:00.353807 Performance: 25.939 ns/day 0.925 hours/ns 1.501 steps/s 2024-05-18 03:25:28,013 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 90.575 -19235 9927.1 -29162 -29162 3.8315 -0.16814 -1.8312 3.5131e+05 2024-05-18 03:26:02,870 INFO [main.py:798]
{rank 0/64} MD step = 175500 step time: 00:00:00.381929 Performance: 25.944 ns/day 0.925 hours/ns 1.501 steps/s 2024-05-18 03:26:28,929 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 89.968 -19233 9860.6 -29094 -29094 3.8306 -0.16777 -1.8303 3.5149e+05 2024-05-18 03:27:03,864 INFO [main.py:798]
{rank 0/64} MD step = 175600 step time: 00:00:00.352055 Performance: 25.945 ns/day 0.925 hours/ns 1.501 steps/s 2024-05-18 03:27:21,736 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 88.919 -19422 9745.6 -29167 -29167 3.8314 -0.16915 -1.8307 3.5165e+05 2024-05-18 03:27:56,508 INFO [main.py:798]
{rank 0/64} MD step = 175700 step time: 00:00:00.336143 Performance: 25.948 ns/day 0.925 hours/ns 1.502 steps/s 2024-05-18 03:28:11,075 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 89.934 -19101 9856.9 -28958 -28958 3.8331 -0.16942 -1.8317 3.5189e+05 2024-05-18 03:28:45,835 INFO [main.py:798]
{rank 0/64} MD step = 175800 step time: 00:00:00.354314 Performance: 25.952 ns/day 0.925 hours/ns 1.502 steps/s 2024-05-18 03:28:59,604 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 90.288 -19437 9895.7 -29333 -29333 3.8339 -0.17045 -1.8327 3.5205e+05 2024-05-18 03:29:34,548 INFO [main.py:798]
{rank 0/64} MD step = 175900 step time: 00:00:00.340648 Performance: 25.956 ns/day 0.925 hours/ns 1.502 steps/s 2024-05-18 03:29:49,117 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 87.856 -19499 9629.2 -29128 -29128 3.8339 -0.16879 -1.8331 3.5222e+05 2024-05-18 03:30:23,649 INFO [main.py:798]
{rank 0/64} MD step = 176000 step time: 00:00:00.356571 Performance: 25.960 ns/day 0.925 hours/ns 1.502 steps/s 2024-05-18 03:30:33,526 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 90.094 -19329 9874.4 -29203 -29203 3.8328 -0.17184 -1.8332 3.5244e+05 2024-05-18 03:31:08,135 INFO [main.py:798]
{rank 0/64} MD step = 176100 step time: 00:00:00.341520 Performance: 25.965 ns/day 0.924 hours/ns 1.503 steps/s 2024-05-18 03:31:17,061 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 89.829 -19270 9845.4 -29115 -29115 3.8319 -0.17094 -1.8325 3.5265e+05 2024-05-18 03:31:52,076 INFO [main.py:798]
{rank 0/64} MD step = 176200 step time: 00:00:00.356306 Performance: 25.970 ns/day 0.924 hours/ns 1.503 steps/s 2024-05-18 03:31:59,762 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 89.232 -19232 9779.9 -29012 -29012 3.8299 -0.1695 -1.8333 3.5287e+05 2024-05-18 03:32:34,587 INFO [main.py:798]
{rank 0/64} MD step = 176300 step time: 00:00:00.357529 Performance: 25.975 ns/day 0.924 hours/ns 1.503 steps/s 2024-05-18 03:32:43,060 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 91.007 -19010 9974.5 -28985 -28985 3.8293 -0.1711 -1.8337 3.5308e+05 2024-05-18 03:33:18,972 INFO [main.py:798]
{rank 0/64} MD step = 176400 step time: 00:00:00.377242 Performance: 25.980 ns/day 0.924 hours/ns 1.503 steps/s 2024-05-18 03:33:27,445 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 90.009 -19160 9865.1 -29025 -29025 3.8285 -0.17235 -1.8333 3.5328e+05 2024-05-18 03:34:02,071 INFO [main.py:798]
{rank 0/64} MD step = 176500 step time: 00:00:00.350548 Performance: 25.985 ns/day 0.924 hours/ns 1.504 steps/s 2024-05-18 03:34:10,217 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 92.037 -19014 10087 -29101 -29101 3.8309 -0.17288 -1.8342 3.5343e+05 2024-05-18 03:34:44,601 INFO [main.py:798]
{rank 0/64} MD step = 176600 step time: 00:00:00.360063 Performance: 25.991 ns/day 0.923 hours/ns 1.504 steps/s 2024-05-18 03:34:52,004 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 90.653 -19036 9935.6 -28972 -28972 3.8294 -0.17469 -1.8337 3.5365e+05 2024-05-18 03:35:27,832 INFO [main.py:798]
{rank 0/64} MD step = 176700 step time: 00:00:00.387908 Performance: 25.996 ns/day 0.923 hours/ns 1.504 steps/s 2024-05-18 03:35:34,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176700 35340 90.43 -19089 9911.2 -29000 -29000 3.8292 -0.17536 -1.8355 3.539e+05 2024-05-18 03:36:09,216 INFO [main.py:798]
{rank 0/64} MD step = 176800 step time: 00:00:00.347475 Performance: 26.001 ns/day 0.923 hours/ns 1.505 steps/s 2024-05-18 03:36:21,071 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 89.797 -19266 9841.9 -29108 -29108 3.8305 -0.17643 -1.8366 3.5412e+05 2024-05-18 03:36:56,832 INFO [main.py:798]
{rank 0/64} MD step = 176900 step time: 00:00:00.379899 Performance: 26.005 ns/day 0.923 hours/ns 1.505 steps/s 2024-05-18 03:37:06,568 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 91.779 -18959 10059 -29018 -29018 3.8311 -0.1774 -1.8365 3.5434e+05 2024-05-18 03:37:47,733 INFO [main.py:798]
{rank 0/64} MD step = 177000 step time: 00:00:00.381620 Performance: 26.009 ns/day 0.923 hours/ns 1.505 steps/s 2024-05-18 03:38:02,169 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 90.349 -19493 9902.3 -29395 -29395 3.8314 -0.17806 -1.8389 3.5448e+05 2024-05-18 03:38:36,772 INFO [main.py:798]
{rank 0/64} MD step = 177100 step time: 00:00:00.366038 Performance: 26.013 ns/day 0.923 hours/ns 1.505 steps/s 2024-05-18 03:38:49,562 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 88.805 -19525 9733.2 -29258 -29258 3.8308 -0.17631 -1.8397 3.5467e+05 2024-05-18 03:39:24,264 INFO [main.py:798]
{rank 0/64} MD step = 177200 step time: 00:00:00.330937 Performance: 26.017 ns/day 0.922 hours/ns 1.506 steps/s 2024-05-18 03:39:30,315 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 90.369 -19321 9904.5 -29225 -29225 3.8322 -0.17656 -1.8411 3.5485e+05 2024-05-18 03:40:04,865 INFO [main.py:798]
{rank 0/64} MD step = 177300 step time: 00:00:00.358547 Performance: 26.023 ns/day 0.922 hours/ns 1.506 steps/s 2024-05-18 03:40:11,662 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 90.649 -19277 9935.3 -29212 -29212 3.8315 -0.17664 -1.8398 3.5507e+05 2024-05-18 03:40:48,309 INFO [main.py:798]
{rank 0/64} MD step = 177400 step time: 00:00:00.343903 Performance: 26.028 ns/day 0.922 hours/ns 1.506 steps/s 2024-05-18 03:41:00,468 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 88.986 -19344 9753 -29097 -29097 3.8322 -0.17799 -1.8389 3.5529e+05 2024-05-18 03:41:35,560 INFO [main.py:798]
{rank 0/64} MD step = 177500 step time: 00:00:00.356038 Performance: 26.032 ns/day 0.922 hours/ns 1.506 steps/s 2024-05-18 03:41:41,010 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 88.929 -19268 9746.7 -29014 -29014 3.8311 -0.17849 -1.8382 3.5548e+05 2024-05-18 03:42:18,124 INFO [main.py:798]
{rank 0/64} MD step = 177600 step time: 00:00:00.349396 Performance: 26.037 ns/day 0.922 hours/ns 1.507 steps/s 2024-05-18 03:42:28,014 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 91.969 -18945 10080 -29025 -29025 3.8304 -0.17978 -1.8401 3.557e+05 2024-05-18 03:43:02,765 INFO [main.py:798]
{rank 0/64} MD step = 177700 step time: 00:00:00.345560 Performance: 26.042 ns/day 0.922 hours/ns 1.507 steps/s 2024-05-18 03:43:10,019 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 89.499 -19374 9809.2 -29183 -29183 3.8282 -0.18252 -1.8416 3.5585e+05 2024-05-18 03:43:44,704 INFO [main.py:798]
{rank 0/64} MD step = 177800 step time: 00:00:00.372762 Performance: 26.047 ns/day 0.921 hours/ns 1.507 steps/s 2024-05-18 03:43:50,267 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 88.798 -19214 9732.3 -28947 -28947 3.8283 -0.18414 -1.8425 3.5607e+05 2024-05-18 03:44:24,739 INFO [main.py:798]
{rank 0/64} MD step = 177900 step time: 00:00:00.346862 Performance: 26.053 ns/day 0.921 hours/ns 1.508 steps/s 2024-05-18 03:44:32,875 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 90.283 -19111 9895.1 -29006 -29006 3.8266 -0.18553 -1.8429 3.5625e+05 2024-05-18 03:45:10,017 INFO [main.py:798]
{rank 0/64} MD step = 178000 step time: 00:00:00.375839 Performance: 26.058 ns/day 0.921 hours/ns 1.508 steps/s 2024-05-18 03:45:30,866 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 90.085 -19235 9873.5 -29108 -29108 3.825 -0.18644 -1.8411 3.5644e+05 2024-05-18 03:46:06,561 INFO [main.py:798]
{rank 0/64} MD step = 178100 step time: 00:00:00.331187 Performance: 26.060 ns/day 0.921 hours/ns 1.508 steps/s 2024-05-18 03:46:13,734 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 89.681 -19289 9829.1 -29118 -29118 3.825 -0.18626 -1.8411 3.5664e+05 2024-05-18 03:46:49,530 INFO [main.py:798]
{rank 0/64} MD step = 178200 step time: 00:00:00.370020 Performance: 26.065 ns/day 0.921 hours/ns 1.508 steps/s 2024-05-18 03:46:55,845 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 91.578 -18905 10037 -28942 -28942 3.8235 -0.18767 -1.841 3.5687e+05 2024-05-18 03:47:30,483 INFO [main.py:798]
{rank 0/64} MD step = 178300 step time: 00:00:00.353568 Performance: 26.071 ns/day 0.921 hours/ns 1.509 steps/s 2024-05-18 03:47:37,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178300 35660 88.966 -19294 9750.7 -29045 -29045 3.8232 -0.18887 -1.84 3.5706e+05 2024-05-18 03:48:11,718 INFO [main.py:798]
{rank 0/64} MD step = 178400 step time: 00:00:00.348910 Performance: 26.076 ns/day 0.920 hours/ns 1.509 steps/s 2024-05-18 03:48:18,729 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 88.758 -19257 9728 -28985 -28985 3.8213 -0.18969 -1.8403 3.5725e+05 2024-05-18 03:48:53,858 INFO [main.py:798]
{rank 0/64} MD step = 178500 step time: 00:00:00.356843 Performance: 26.081 ns/day 0.920 hours/ns 1.509 steps/s 2024-05-18 03:49:04,070 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 89.367 -19277 9794.8 -29072 -29072 3.8187 -0.18659 -1.8412 3.5745e+05 2024-05-18 03:49:38,812 INFO [main.py:798]
{rank 0/64} MD step = 178600 step time: 00:00:00.354156 Performance: 26.086 ns/day 0.920 hours/ns 1.510 steps/s 2024-05-18 03:49:50,243 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 90.814 -19089 9953.3 -29042 -29042 3.8163 -0.18742 -1.8428 3.5764e+05 2024-05-18 03:50:25,091 INFO [main.py:798]
{rank 0/64} MD step = 178700 step time: 00:00:00.352898 Performance: 26.091 ns/day 0.920 hours/ns 1.510 steps/s 2024-05-18 03:50:36,533 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 88.601 -19142 9710.8 -28853 -28853 3.8142 -0.18982 -1.8441 3.5788e+05 2024-05-18 03:51:11,546 INFO [main.py:798]
{rank 0/64} MD step = 178800 step time: 00:00:00.350520 Performance: 26.095 ns/day 0.920 hours/ns 1.510 steps/s 2024-05-18 03:51:18,706 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 88.282 -19167 9675.8 -28843 -28843 3.8125 -0.19155 -1.8458 3.5808e+05 2024-05-18 03:51:53,990 INFO [main.py:798]
{rank 0/64} MD step = 178900 step time: 00:00:00.364429 Performance: 26.100 ns/day 0.920 hours/ns 1.510 steps/s 2024-05-18 03:52:05,752 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 89.548 -18972 9814.6 -28787 -28787 3.8103 -0.19266 -1.8446 3.5827e+05 2024-05-18 03:52:41,084 INFO [main.py:798]
{rank 0/64} MD step = 179000 step time: 00:00:00.335324 Performance: 26.104 ns/day 0.919 hours/ns 1.511 steps/s 2024-05-18 03:52:51,506 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 88.528 -18927 9702.8 -28630 -28630 3.8087 -0.1922 -1.8455 3.5848e+05 2024-05-18 03:53:26,384 INFO [main.py:798]
{rank 0/64} MD step = 179100 step time: 00:00:00.334750 Performance: 26.109 ns/day 0.919 hours/ns 1.511 steps/s 2024-05-18 03:53:37,139 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 90.711 -18884 9942.1 -28826 -28826 3.8074 -0.19241 -1.8457 3.5866e+05 2024-05-18 03:54:11,245 INFO [main.py:798]
{rank 0/64} MD step = 179200 step time: 00:00:00.330798 Performance: 26.114 ns/day 0.919 hours/ns 1.511 steps/s 2024-05-18 03:54:16,961 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 89.927 -19036 9856.1 -28892 -28892 3.8065 -0.19327 -1.8452 3.5888e+05 2024-05-18 03:54:51,350 INFO [main.py:798]
{rank 0/64} MD step = 179300 step time: 00:00:00.332513 Performance: 26.119 ns/day 0.919 hours/ns 1.512 steps/s 2024-05-18 03:55:07,916 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 89.427 -19131 9801.3 -28932 -28932 3.8033 -0.19478 -1.8445 3.5902e+05 2024-05-18 03:55:42,485 INFO [main.py:798]
{rank 0/64} MD step = 179400 step time: 00:00:00.327390 Performance: 26.123 ns/day 0.919 hours/ns 1.512 steps/s 2024-05-18 03:55:50,221 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 89.699 -18982 9831.1 -28813 -28813 3.8036 -0.1963 -1.8453 3.592e+05 2024-05-18 03:56:24,142 INFO [main.py:798]
{rank 0/64} MD step = 179500 step time: 00:00:00.354918 Performance: 26.128 ns/day 0.919 hours/ns 1.512 steps/s 2024-05-18 03:56:30,052 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 90.533 -19183 9922.6 -29106 -29106 3.8032 -0.19803 -1.8441 3.5937e+05 2024-05-18 03:57:06,110 INFO [main.py:798]
{rank 0/64} MD step = 179600 step time: 00:00:00.375760 Performance: 26.133 ns/day 0.918 hours/ns 1.512 steps/s 2024-05-18 03:57:14,374 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 90.608 -18944 9930.8 -28874 -28874 3.8033 -0.19827 -1.8434 3.5961e+05 2024-05-18 03:57:50,135 INFO [main.py:798]
{rank 0/64} MD step = 179700 step time: 00:00:00.344730 Performance: 26.138 ns/day 0.918 hours/ns 1.513 steps/s 2024-05-18 03:57:56,856 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 90.353 -19035 9902.8 -28937 -28937 3.8022 -0.20138 -1.8425 3.598e+05 2024-05-18 03:58:31,461 INFO [main.py:798]
{rank 0/64} MD step = 179800 step time: 00:00:00.337144 Performance: 26.144 ns/day 0.918 hours/ns 1.513 steps/s 2024-05-18 03:58:37,287 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 90.212 -19092 9887.3 -28980 -28980 3.8013 -0.20209 -1.8429 3.6006e+05 2024-05-18 03:59:12,368 INFO [main.py:798]
{rank 0/64} MD step = 179900 step time: 00:00:00.345860 Performance: 26.149 ns/day 0.918 hours/ns 1.513 steps/s 2024-05-18 03:59:18,322 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 91.839 -19024 10066 -29089 -29089 3.8007 -0.20293 -1.8423 3.6021e+05 2024-05-18 03:59:52,915 INFO [main.py:798]
{rank 0/64} MD step = 180000 step time: 00:00:00.351394 Performance: 26.155 ns/day 0.918 hours/ns 1.514 steps/s 2024-05-18 04:00:07,229 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 89.45 -19346 9803.8 -29150 -29150 3.7999 -0.20362 -1.8418 3.604e+05 2024-05-18 04:00:42,851 INFO [main.py:798]
{rank 0/64} MD step = 180100 step time: 00:00:00.371432 Performance: 26.158 ns/day 0.917 hours/ns 1.514 steps/s 2024-05-18 04:00:49,394 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 89.036 -19345 9758.5 -29104 -29104 3.7993 -0.20412 -1.8414 3.6061e+05 2024-05-18 04:01:24,536 INFO [main.py:798]
{rank 0/64} MD step = 180200 step time: 00:00:00.350851 Performance: 26.164 ns/day 0.917 hours/ns 1.514 steps/s 2024-05-18 04:01:36,144 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 90.269 -19141 9893.6 -29035 -29035 3.7991 -0.20483 -1.8424 3.6081e+05 2024-05-18 04:02:09,314 INFO [main.py:798]
{rank 0/64} MD step = 180300 step time: 00:00:00.343124 Performance: 26.168 ns/day 0.917 hours/ns 1.514 steps/s 2024-05-18 04:02:15,277 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 91.499 -19077 10028 -29106 -29106 3.7958 -0.20677 -1.8433 3.6104e+05 2024-05-18 04:02:50,147 INFO [main.py:798]
{rank 0/64} MD step = 180400 step time: 00:00:00.327747 Performance: 26.174 ns/day 0.917 hours/ns 1.515 steps/s 2024-05-18 04:02:55,827 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 89.224 -19215 9779 -28994 -28994 3.7949 -0.20875 -1.8435 3.6128e+05 2024-05-18 04:03:32,209 INFO [main.py:798]
{rank 0/64} MD step = 180500 step time: 00:00:00.327356 Performance: 26.179 ns/day 0.917 hours/ns 1.515 steps/s 2024-05-18 04:03:40,547 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 89.35 -19310 9792.8 -29103 -29103 3.7932 -0.20799 -1.8428 3.6146e+05 2024-05-18 04:04:16,529 INFO [main.py:798]
{rank 0/64} MD step = 180600 step time: 00:00:00.328533 Performance: 26.184 ns/day 0.917 hours/ns 1.515 steps/s 2024-05-18 04:04:30,977 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 87.971 -19410 9641.8 -29052 -29052 3.794 -0.20881 -1.8438 3.6168e+05 2024-05-18 04:05:07,811 INFO [main.py:798]
{rank 0/64} MD step = 180700 step time: 00:00:00.369128 Performance: 26.187 ns/day 0.916 hours/ns 1.515 steps/s 2024-05-18 04:05:16,910 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 90.524 -19330 9921.5 -29252 -29252 3.7926 -0.20973 -1.8418 3.6187e+05 2024-05-18 04:05:52,021 INFO [main.py:798]
{rank 0/64} MD step = 180800 step time: 00:00:00.368673 Performance: 26.192 ns/day 0.916 hours/ns 1.516 steps/s 2024-05-18 04:05:58,300 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 89.777 -19334 9839.7 -29173 -29173 3.7922 -0.2115 -1.8405 3.6208e+05 2024-05-18 04:06:33,104 INFO [main.py:798]
{rank 0/64} MD step = 180900 step time: 00:00:00.340569 Performance: 26.198 ns/day 0.916 hours/ns 1.516 steps/s 2024-05-18 04:06:44,185 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 89.423 -19514 9800.8 -29315 -29315 3.792 -0.212 -1.8405 3.6225e+05 2024-05-18 04:07:18,848 INFO [main.py:798]
{rank 0/64} MD step = 181000 step time: 00:00:00.355767 Performance: 26.202 ns/day 0.916 hours/ns 1.516 steps/s 2024-05-18 04:07:28,512 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 90.078 -19213 9872.7 -29085 -29085 3.7919 -0.21343 -1.8429 3.6249e+05 2024-05-18 04:08:03,092 INFO [main.py:798]
{rank 0/64} MD step = 181100 step time: 00:00:00.352843 Performance: 26.207 ns/day 0.916 hours/ns 1.517 steps/s 2024-05-18 04:08:09,401 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 89.775 -19323 9839.4 -29162 -29162 3.7898 -0.2135 -1.8443 3.6269e+05 2024-05-18 04:08:44,391 INFO [main.py:798]
{rank 0/64} MD step = 181200 step time: 00:00:00.350248 Performance: 26.212 ns/day 0.916 hours/ns 1.517 steps/s 2024-05-18 04:08:58,785 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 89.782 -19160 9840.2 -29000 -29000 3.79 -0.21287 -1.8446 3.629e+05 2024-05-18 04:09:32,730 INFO [main.py:798]
{rank 0/64} MD step = 181300 step time: 00:00:00.351092 Performance: 26.216 ns/day 0.915 hours/ns 1.517 steps/s 2024-05-18 04:09:43,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181300 36260 89.479 -19435 9807 -29242 -29242 3.7892 -0.21245 -1.8436 3.6311e+05 2024-05-18 04:10:17,493 INFO [main.py:798]
{rank 0/64} MD step = 181400 step time: 00:00:00.346063 Performance: 26.221 ns/day 0.915 hours/ns 1.517 steps/s 2024-05-18 04:10:25,068 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 90.686 -19017 9939.3 -28956 -28956 3.7882 -0.21308 -1.8442 3.6336e+05 2024-05-18 04:10:59,484 INFO [main.py:798]
{rank 0/64} MD step = 181500 step time: 00:00:00.354836 Performance: 26.226 ns/day 0.915 hours/ns 1.518 steps/s 2024-05-18 04:11:06,217 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 90.267 -19187 9893.3 -29080 -29080 3.786 -0.21437 -1.8441 3.6356e+05 2024-05-18 04:11:40,573 INFO [main.py:798]
{rank 0/64} MD step = 181600 step time: 00:00:00.343744 Performance: 26.231 ns/day 0.915 hours/ns 1.518 steps/s 2024-05-18 04:11:46,364 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 89.924 -19264 9855.8 -29120 -29120 3.7851 -0.21563 -1.8458 3.6375e+05 2024-05-18 04:12:21,601 INFO [main.py:798]
{rank 0/64} MD step = 181700 step time: 00:00:00.351088 Performance: 26.237 ns/day 0.915 hours/ns 1.518 steps/s 2024-05-18 04:12:27,576 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 89.152 -19422 9771.2 -29193 -29193 3.7838 -0.21757 -1.8455 3.6393e+05 2024-05-18 04:13:02,146 INFO [main.py:798]
{rank 0/64} MD step = 181800 step time: 00:00:00.355076 Performance: 26.242 ns/day 0.915 hours/ns 1.519 steps/s 2024-05-18 04:13:08,575 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 90.236 -19086 9890 -28976 -28976 3.7832 -0.21837 -1.8453 3.6417e+05 2024-05-18 04:13:43,861 INFO [main.py:798]
{rank 0/64} MD step = 181900 step time: 00:00:00.348385 Performance: 26.248 ns/day 0.914 hours/ns 1.519 steps/s 2024-05-18 04:13:50,447 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 90.146 -18977 9880.1 -28857 -28857 3.7826 -0.21978 -1.8464 3.644e+05 2024-05-18 04:14:24,673 INFO [main.py:798]
{rank 0/64} MD step = 182000 step time: 00:00:00.331412 Performance: 26.253 ns/day 0.914 hours/ns 1.519 steps/s 2024-05-18 04:14:33,560 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 90.664 -18980 9936.9 -28917 -28917 3.7819 -0.21917 -1.8462 3.646e+05 2024-05-18 04:15:09,296 INFO [main.py:798]
{rank 0/64} MD step = 182100 step time: 00:00:00.337651 Performance: 26.258 ns/day 0.914 hours/ns 1.520 steps/s 2024-05-18 04:15:16,270 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 89.69 -19117 9830.2 -28947 -28947 3.7812 -0.22078 -1.8455 3.6484e+05 2024-05-18 04:15:51,578 INFO [main.py:798]
{rank 0/64} MD step = 182200 step time: 00:00:00.339680 Performance: 26.263 ns/day 0.914 hours/ns 1.520 steps/s 2024-05-18 04:16:04,610 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 90.213 -19172 9887.5 -29059 -29059 3.7811 -0.22116 -1.8457 3.6503e+05 2024-05-18 04:16:48,192 INFO [main.py:798]
{rank 0/64} MD step = 182300 step time: 00:00:00.358423 Performance: 26.265 ns/day 0.914 hours/ns 1.520 steps/s 2024-05-18 04:16:53,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182300 36460 90.697 -18998 9940.5 -28938 -28938 3.7792 -0.22156 -1.8456 3.6521e+05 2024-05-18 04:17:28,143 INFO [main.py:798]
{rank 0/64} MD step = 182400 step time: 00:00:00.340030 Performance: 26.271 ns/day 0.914 hours/ns 1.520 steps/s 2024-05-18 04:17:42,128 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 90.549 -19163 9924.3 -29087 -29087 3.7792 -0.22426 -1.8461 3.654e+05 2024-05-18 04:18:16,283 INFO [main.py:798]
{rank 0/64} MD step = 182500 step time: 00:00:00.352964 Performance: 26.274 ns/day 0.913 hours/ns 1.521 steps/s 2024-05-18 04:18:20,740 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 89.857 -19195 9848.4 -29044 -29044 3.7788 -0.22329 -1.8449 3.6563e+05 2024-05-18 04:18:58,034 INFO [main.py:798]
{rank 0/64} MD step = 182600 step time: 00:00:00.335744 Performance: 26.280 ns/day 0.913 hours/ns 1.521 steps/s 2024-05-18 04:19:05,175 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 88.25 -19426 9672.3 -29099 -29099 3.7766 -0.22434 -1.8438 3.658e+05 2024-05-18 04:19:39,719 INFO [main.py:798]
{rank 0/64} MD step = 182700 step time: 00:00:00.368908 Performance: 26.285 ns/day 0.913 hours/ns 1.521 steps/s 2024-05-18 04:19:47,179 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 91.134 -19014 9988.5 -29002 -29002 3.7746 -0.22567 -1.8449 3.6604e+05 2024-05-18 04:20:22,175 INFO [main.py:798]
{rank 0/64} MD step = 182800 step time: 00:00:00.347900 Performance: 26.290 ns/day 0.913 hours/ns 1.521 steps/s 2024-05-18 04:20:27,445 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 90.56 -19034 9925.4 -28959 -28959 3.7732 -0.22474 -1.8425 3.6626e+05 2024-05-18 04:21:03,995 INFO [main.py:798]
{rank 0/64} MD step = 182900 step time: 00:00:00.380490 Performance: 26.295 ns/day 0.913 hours/ns 1.522 steps/s 2024-05-18 04:21:11,525 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 89.12 -19289 9767.6 -29057 -29057 3.7741 -0.22693 -1.842 3.6645e+05 2024-05-18 04:21:46,932 INFO [main.py:798]
{rank 0/64} MD step = 183000 step time: 00:00:00.373055 Performance: 26.300 ns/day 0.913 hours/ns 1.522 steps/s 2024-05-18 04:21:58,642 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 89.675 -19104 9828.5 -28933 -28933 3.7735 -0.2287 -1.8421 3.6665e+05 2024-05-18 04:22:32,930 INFO [main.py:798]
{rank 0/64} MD step = 183100 step time: 00:00:00.358790 Performance: 26.305 ns/day 0.912 hours/ns 1.522 steps/s 2024-05-18 04:22:42,322 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 91.735 -18904 10054 -28958 -28958 3.7754 -0.23001 -1.8401 3.6685e+05 2024-05-18 04:23:16,936 INFO [main.py:798]
{rank 0/64} MD step = 183200 step time: 00:00:00.357896 Performance: 26.309 ns/day 0.912 hours/ns 1.523 steps/s 2024-05-18 04:23:25,319 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 90.396 -18978 9907.5 -28886 -28886 3.776 -0.23183 -1.8418 3.6702e+05 2024-05-18 04:24:01,450 INFO [main.py:798]
{rank 0/64} MD step = 183300 step time: 00:00:00.378249 Performance: 26.314 ns/day 0.912 hours/ns 1.523 steps/s 2024-05-18 04:24:09,060 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 89.775 -19092 9839.5 -28932 -28932 3.7758 -0.23374 -1.8425 3.6719e+05 2024-05-18 04:24:43,443 INFO [main.py:798]
{rank 0/64} MD step = 183400 step time: 00:00:00.355016 Performance: 26.319 ns/day 0.912 hours/ns 1.523 steps/s 2024-05-18 04:24:53,246 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 90.35 -19124 9902.5 -29027 -29027 3.7759 -0.23448 -1.8429 3.6742e+05 2024-05-18 04:25:27,873 INFO [main.py:798]
{rank 0/64} MD step = 183500 step time: 00:00:00.339702 Performance: 26.324 ns/day 0.912 hours/ns 1.523 steps/s 2024-05-18 04:25:34,650 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 89.095 -19338 9765 -29103 -29103 3.7756 -0.23678 -1.8447 3.676e+05 2024-05-18 04:26:09,524 INFO [main.py:798]
{rank 0/64} MD step = 183600 step time: 00:00:00.355617 Performance: 26.329 ns/day 0.912 hours/ns 1.524 steps/s 2024-05-18 04:26:18,715 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 90.982 -18908 9971.7 -28879 -28879 3.7741 -0.23807 -1.8471 3.6784e+05 2024-05-18 04:26:53,071 INFO [main.py:798]
{rank 0/64} MD step = 183700 step time: 00:00:00.347547 Performance: 26.334 ns/day 0.911 hours/ns 1.524 steps/s 2024-05-18 04:26:58,064 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 89.555 -19089 9815.4 -28905 -28905 3.7747 -0.23897 -1.8465 3.6801e+05 2024-05-18 04:27:34,088 INFO [main.py:798]
{rank 0/64} MD step = 183800 step time: 00:00:00.351710 Performance: 26.339 ns/day 0.911 hours/ns 1.524 steps/s 2024-05-18 04:27:40,224 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 89.505 -19156 9809.9 -28966 -28966 3.7731 -0.2407 -1.8467 3.682e+05 2024-05-18 04:28:14,796 INFO [main.py:798]
{rank 0/64} MD step = 183900 step time: 00:00:00.340727 Performance: 26.345 ns/day 0.911 hours/ns 1.525 steps/s 2024-05-18 04:28:21,934 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 89.599 -19190 9820.2 -29010 -29010 3.7726 -0.24352 -1.8467 3.6841e+05 2024-05-18 04:28:56,392 INFO [main.py:798]
{rank 0/64} MD step = 184000 step time: 00:00:00.352216 Performance: 26.350 ns/day 0.911 hours/ns 1.525 steps/s 2024-05-18 04:29:02,615 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 90.875 -18992 9960.1 -28952 -28952 3.7718 -0.24337 -1.8465 3.6857e+05 2024-05-18 04:29:37,106 INFO [main.py:798]
{rank 0/64} MD step = 184100 step time: 00:00:00.353710 Performance: 26.355 ns/day 0.911 hours/ns 1.525 steps/s 2024-05-18 04:29:44,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184100 36820 90.49 -18908 9917.8 -28826 -28826 3.7721 -0.24566 -1.8447 3.688e+05 2024-05-18 04:30:19,024 INFO [main.py:798]
{rank 0/64} MD step = 184200 step time: 00:00:00.357231 Performance: 26.360 ns/day 0.910 hours/ns 1.525 steps/s 2024-05-18 04:30:24,860 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 89.729 -19188 9834.4 -29022 -29022 3.7694 -0.24667 -1.8451 3.6901e+05 2024-05-18 04:30:59,332 INFO [main.py:798]
{rank 0/64} MD step = 184300 step time: 00:00:00.359416 Performance: 26.366 ns/day 0.910 hours/ns 1.526 steps/s 2024-05-18 04:31:07,583 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 89.534 -19219 9813 -29032 -29032 3.768 -0.24939 -1.846 3.692e+05 2024-05-18 04:31:42,497 INFO [main.py:798]
{rank 0/64} MD step = 184400 step time: 00:00:00.355625 Performance: 26.371 ns/day 0.910 hours/ns 1.526 steps/s 2024-05-18 04:31:48,783 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 89.199 -19082 9776.3 -28858 -28858 3.7663 -0.24952 -1.8456 3.6944e+05 2024-05-18 04:32:23,298 INFO [main.py:798]
{rank 0/64} MD step = 184500 step time: 00:00:00.355897 Performance: 26.376 ns/day 0.910 hours/ns 1.526 steps/s 2024-05-18 04:32:38,529 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 90.268 -18928 9893.5 -28822 -28822 3.7652 -0.25036 -1.8455 3.6964e+05 2024-05-18 04:33:13,086 INFO [main.py:798]
{rank 0/64} MD step = 184600 step time: 00:00:00.361642 Performance: 26.380 ns/day 0.910 hours/ns 1.527 steps/s 2024-05-18 04:33:18,893 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 89.377 -19134 9795.8 -28930 -28930 3.7636 -0.25055 -1.844 3.6987e+05 2024-05-18 04:33:55,533 INFO [main.py:798]
{rank 0/64} MD step = 184700 step time: 00:00:00.371780 Performance: 26.385 ns/day 0.910 hours/ns 1.527 steps/s 2024-05-18 04:34:01,555 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 89.993 -18955 9863.3 -28818 -28818 3.7608 -0.25088 -1.8439 3.7005e+05 2024-05-18 04:34:36,910 INFO [main.py:798]
{rank 0/64} MD step = 184800 step time: 00:00:00.373431 Performance: 26.390 ns/day 0.909 hours/ns 1.527 steps/s 2024-05-18 04:34:45,860 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 87.83 -19195 9626.3 -28821 -28821 3.7604 -0.25187 -1.8419 3.7026e+05 2024-05-18 04:35:22,121 INFO [main.py:798]
{rank 0/64} MD step = 184900 step time: 00:00:00.380535 Performance: 26.394 ns/day 0.909 hours/ns 1.527 steps/s 2024-05-18 04:35:28,125 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 89.329 -19042 9790.5 -28832 -28832 3.7597 -0.2508 -1.8429 3.7043e+05 2024-05-18 04:36:02,769 INFO [main.py:798]
{rank 0/64} MD step = 185000 step time: 00:00:00.353314 Performance: 26.400 ns/day 0.909 hours/ns 1.528 steps/s 2024-05-18 04:36:09,215 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 91.211 -18956 9996.9 -28953 -28953 3.7594 -0.25 -1.8425 3.7062e+05 2024-05-18 04:36:43,651 INFO [main.py:798]
{rank 0/64} MD step = 185100 step time: 00:00:00.341688 Performance: 26.405 ns/day 0.909 hours/ns 1.528 steps/s 2024-05-18 04:36:50,547 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 90.075 -18832 9872.3 -28705 -28705 3.7577 -0.25013 -1.842 3.7081e+05 2024-05-18 04:37:25,334 INFO [main.py:798]
{rank 0/64} MD step = 185200 step time: 00:00:00.339193 Performance: 26.410 ns/day 0.909 hours/ns 1.528 steps/s 2024-05-18 04:37:30,601 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 89.848 -18820 9847.5 -28668 -28668 3.7575 -0.2503 -1.8429 3.7102e+05 2024-05-18 04:38:05,541 INFO [main.py:798]
{rank 0/64} MD step = 185300 step time: 00:00:00.349797 Performance: 26.416 ns/day 0.909 hours/ns 1.529 steps/s 2024-05-18 04:38:16,106 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 89.094 -19227 9764.8 -28992 -28992 3.7561 -0.25072 -1.8421 3.7124e+05 2024-05-18 04:38:54,161 INFO [main.py:798]
{rank 0/64} MD step = 185400 step time: 00:00:00.359459 Performance: 26.419 ns/day 0.908 hours/ns 1.529 steps/s 2024-05-18 04:39:03,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185400 37080 89.5 -19125 9809.3 -28935 -28935 3.7558 -0.25179 -1.8428 3.7143e+05 2024-05-18 04:39:39,053 INFO [main.py:798]
{rank 0/64} MD step = 185500 step time: 00:00:00.377636 Performance: 26.424 ns/day 0.908 hours/ns 1.529 steps/s 2024-05-18 04:39:45,632 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 89.271 -19219 9784.2 -29003 -29003 3.7544 -0.2535 -1.8445 3.7165e+05 2024-05-18 04:40:20,616 INFO [main.py:798]
{rank 0/64} MD step = 185600 step time: 00:00:00.353294 Performance: 26.429 ns/day 0.908 hours/ns 1.529 steps/s 2024-05-18 04:40:25,959 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 90.269 -19019 9893.5 -28913 -28913 3.7538 -0.25188 -1.8443 3.7185e+05 2024-05-18 04:41:01,664 INFO [main.py:798]
{rank 0/64} MD step = 185700 step time: 00:00:00.372918 Performance: 26.434 ns/day 0.908 hours/ns 1.530 steps/s 2024-05-18 04:41:07,468 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 89.793 -19314 9841.5 -29156 -29156 3.7523 -0.25209 -1.8458 3.7204e+05 2024-05-18 04:41:42,560 INFO [main.py:798]
{rank 0/64} MD step = 185800 step time: 00:00:00.378694 Performance: 26.440 ns/day 0.908 hours/ns 1.530 steps/s 2024-05-18 04:41:54,925 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 89.928 -19189 9856.3 -29045 -29045 3.7496 -0.25268 -1.8443 3.7219e+05 2024-05-18 04:42:29,816 INFO [main.py:798]
{rank 0/64} MD step = 185900 step time: 00:00:00.345981 Performance: 26.444 ns/day 0.908 hours/ns 1.530 steps/s 2024-05-18 04:42:36,314 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 89.841 -19078 9846.6 -28925 -28925 3.7481 -0.25422 -1.8442 3.7242e+05 2024-05-18 04:43:10,999 INFO [main.py:798]
{rank 0/64} MD step = 186000 step time: 00:00:00.339472 Performance: 26.449 ns/day 0.907 hours/ns 1.531 steps/s 2024-05-18 04:43:18,937 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 89.052 -19463 9760.3 -29224 -29224 3.7477 -0.25549 -1.843 3.726e+05 2024-05-18 04:43:56,806 INFO [main.py:798]
{rank 0/64} MD step = 186100 step time: 00:00:00.340670 Performance: 26.453 ns/day 0.907 hours/ns 1.531 steps/s 2024-05-18 04:44:08,837 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 90.792 -19143 9950.9 -29094 -29094 3.7465 -0.25722 -1.8434 3.7285e+05 2024-05-18 04:44:43,381 INFO [main.py:798]
{rank 0/64} MD step = 186200 step time: 00:00:00.341819 Performance: 26.457 ns/day 0.907 hours/ns 1.531 steps/s 2024-05-18 04:44:49,062 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 89.61 -19011 9821.4 -28832 -28832 3.747 -0.25937 -1.8436 3.7304e+05 2024-05-18 04:45:23,541 INFO [main.py:798]
{rank 0/64} MD step = 186300 step time: 00:00:00.328547 Performance: 26.463 ns/day 0.907 hours/ns 1.531 steps/s 2024-05-18 04:45:29,041 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 88.79 -19372 9731.5 -29103 -29103 3.7467 -0.25948 -1.8447 3.7322e+05 2024-05-18 04:46:03,466 INFO [main.py:798]
{rank 0/64} MD step = 186400 step time: 00:00:00.345097 Performance: 26.468 ns/day 0.907 hours/ns 1.532 steps/s 2024-05-18 04:46:09,526 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 89.277 -19009 9784.9 -28794 -28794 3.7457 -0.2604 -1.8456 3.7345e+05 2024-05-18 04:46:44,257 INFO [main.py:798]
{rank 0/64} MD step = 186500 step time: 00:00:00.342121 Performance: 26.474 ns/day 0.907 hours/ns 1.532 steps/s 2024-05-18 04:46:50,088 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 89.086 -19236 9764 -29000 -29000 3.745 -0.26257 -1.8466 3.7363e+05 2024-05-18 04:47:25,808 INFO [main.py:798]
{rank 0/64} MD step = 186600 step time: 00:00:00.338336 Performance: 26.479 ns/day 0.906 hours/ns 1.532 steps/s 2024-05-18 04:47:33,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186600 37320 90.298 -19197 9896.8 -29093 -29093 3.7469 -0.26301 -1.8478 3.7381e+05 2024-05-18 04:48:08,088 INFO [main.py:798]
{rank 0/64} MD step = 186700 step time: 00:00:00.326966 Performance: 26.484 ns/day 0.906 hours/ns 1.533 steps/s 2024-05-18 04:48:26,688 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 90.047 -19066 9869.3 -28936 -28936 3.7454 -0.26392 -1.8483 3.7403e+05 2024-05-18 04:49:01,685 INFO [main.py:798]
{rank 0/64} MD step = 186800 step time: 00:00:00.330792 Performance: 26.486 ns/day 0.906 hours/ns 1.533 steps/s 2024-05-18 04:49:06,033 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 89.519 -19182 9811.4 -28994 -28994 3.7432 -0.26542 -1.8483 3.7422e+05 2024-05-18 04:49:43,869 INFO [main.py:798]
{rank 0/64} MD step = 186900 step time: 00:00:00.333068 Performance: 26.491 ns/day 0.906 hours/ns 1.533 steps/s 2024-05-18 04:49:50,232 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 90.001 -19054 9864.2 -28918 -28918 3.7408 -0.26472 -1.8473 3.7443e+05 2024-05-18 04:50:24,762 INFO [main.py:798]
{rank 0/64} MD step = 187000 step time: 00:00:00.335097 Performance: 26.497 ns/day 0.906 hours/ns 1.533 steps/s 2024-05-18 04:50:35,481 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 90.994 -19050 9973.1 -29023 -29023 3.7379 -0.26546 -1.8499 3.7462e+05 2024-05-18 04:51:12,499 INFO [main.py:798]
{rank 0/64} MD step = 187100 step time: 00:00:00.372755 Performance: 26.500 ns/day 0.906 hours/ns 1.534 steps/s 2024-05-18 04:51:17,193 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 90.964 -19078 9969.7 -29047 -29047 3.7352 -0.26801 -1.85 3.748e+05 2024-05-18 04:51:53,482 INFO [main.py:798]
{rank 0/64} MD step = 187200 step time: 00:00:00.339843 Performance: 26.506 ns/day 0.905 hours/ns 1.534 steps/s 2024-05-18 04:52:00,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187200 37440 90.194 -19173 9885.3 -29058 -29058 3.7354 -0.27007 -1.8509 3.7502e+05 2024-05-18 04:52:34,518 INFO [main.py:798]
{rank 0/64} MD step = 187300 step time: 00:00:00.353625 Performance: 26.511 ns/day 0.905 hours/ns 1.534 steps/s 2024-05-18 04:52:40,583 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 90.713 -19079 9942.2 -29022 -29022 3.7346 -0.27133 -1.8504 3.7523e+05 2024-05-18 04:53:15,379 INFO [main.py:798]
{rank 0/64} MD step = 187400 step time: 00:00:00.365455 Performance: 26.516 ns/day 0.905 hours/ns 1.534 steps/s 2024-05-18 04:53:21,427 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 91.014 -19044 9975.2 -29019 -29019 3.7354 -0.27131 -1.8505 3.754e+05 2024-05-18 04:53:57,293 INFO [main.py:798]
{rank 0/64} MD step = 187500 step time: 00:00:00.351731 Performance: 26.521 ns/day 0.905 hours/ns 1.535 steps/s 2024-05-18 04:54:04,486 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 89.038 -19119 9758.7 -28877 -28877 3.735 -0.27179 -1.8497 3.7561e+05 2024-05-18 04:54:38,954 INFO [main.py:798]
{rank 0/64} MD step = 187600 step time: 00:00:00.353434 Performance: 26.526 ns/day 0.905 hours/ns 1.535 steps/s 2024-05-18 04:54:44,612 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 90.874 -19153 9959.9 -29112 -29112 3.7347 -0.27381 -1.8494 3.7579e+05 2024-05-18 04:55:20,161 INFO [main.py:798]
{rank 0/64} MD step = 187700 step time: 00:00:00.344576 Performance: 26.531 ns/day 0.905 hours/ns 1.535 steps/s 2024-05-18 04:55:25,850 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 90.843 -19058 9956.5 -29015 -29015 3.7334 -0.27623 -1.8495 3.7598e+05 2024-05-18 04:56:02,116 INFO [main.py:798]
{rank 0/64} MD step = 187800 step time: 00:00:00.356289 Performance: 26.536 ns/day 0.904 hours/ns 1.536 steps/s 2024-05-18 04:56:05,941 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 89.354 -19180 9793.4 -28973 -28973 3.7313 -0.27748 -1.8493 3.7614e+05 2024-05-18 04:56:42,057 INFO [main.py:798]
{rank 0/64} MD step = 187900 step time: 00:00:00.346402 Performance: 26.542 ns/day 0.904 hours/ns 1.536 steps/s 2024-05-18 04:56:48,602 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 90.711 -18995 9942.1 -28937 -28937 3.73 -0.27754 -1.8499 3.7636e+05 2024-05-18 04:57:23,093 INFO [main.py:798]
{rank 0/64} MD step = 188000 step time: 00:00:00.332099 Performance: 26.547 ns/day 0.904 hours/ns 1.536 steps/s 2024-05-18 04:57:28,795 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 89.981 -19173 9862 -29035 -29035 3.73 -0.27987 -1.8486 3.7659e+05 2024-05-18 04:58:03,642 INFO [main.py:798]
{rank 0/64} MD step = 188100 step time: 00:00:00.336198 Performance: 26.552 ns/day 0.904 hours/ns 1.537 steps/s 2024-05-18 04:58:09,631 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 89.443 -19015 9803.1 -28818 -28818 3.7287 -0.28055 -1.8495 3.7682e+05 2024-05-18 04:58:44,365 INFO [main.py:798]
{rank 0/64} MD step = 188200 step time: 00:00:00.352646 Performance: 26.558 ns/day 0.904 hours/ns 1.537 steps/s 2024-05-18 04:58:50,721 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 88.3 -19486 9677.8 -29164 -29164 3.7266 -0.28041 -1.8497 3.7695e+05 2024-05-18 04:59:25,574 INFO [main.py:798]
{rank 0/64} MD step = 188300 step time: 00:00:00.354636 Performance: 26.563 ns/day 0.904 hours/ns 1.537 steps/s 2024-05-18 04:59:33,163 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 91.702 -18896 10051 -28947 -28947 3.7246 -0.27992 -1.8495 3.7719e+05 2024-05-18 05:00:08,613 INFO [main.py:798]
{rank 0/64} MD step = 188400 step time: 00:00:00.381415 Performance: 26.568 ns/day 0.903 hours/ns 1.537 steps/s 2024-05-18 05:00:14,414 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 90.863 -19059 9958.7 -29018 -29018 3.7239 -0.2799 -1.8496 3.7743e+05 2024-05-18 05:00:49,197 INFO [main.py:798]
{rank 0/64} MD step = 188500 step time: 00:00:00.358291 Performance: 26.573 ns/day 0.903 hours/ns 1.538 steps/s 2024-05-18 05:00:55,756 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 89.448 -19422 9803.7 -29226 -29226 3.7227 -0.28089 -1.8493 3.776e+05 2024-05-18 05:01:32,258 INFO [main.py:798]
{rank 0/64} MD step = 188600 step time: 00:00:00.366535 Performance: 26.578 ns/day 0.903 hours/ns 1.538 steps/s 2024-05-18 05:01:39,212 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 89.931 -19157 9856.5 -29014 -29014 3.7225 -0.28131 -1.8502 3.778e+05 2024-05-18 05:02:14,104 INFO [main.py:798]
{rank 0/64} MD step = 188700 step time: 00:00:00.354027 Performance: 26.583 ns/day 0.903 hours/ns 1.538 steps/s 2024-05-18 05:02:21,863 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 89.677 -19221 9828.7 -29050 -29050 3.722 -0.28283 -1.8505 3.7798e+05 2024-05-18 05:02:56,610 INFO [main.py:798]
{rank 0/64} MD step = 188800 step time: 00:00:00.359835 Performance: 26.588 ns/day 0.903 hours/ns 1.539 steps/s 2024-05-18 05:03:02,882 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 89.311 -19271 9788.6 -29059 -29059 3.7204 -0.28436 -1.8505 3.7819e+05 2024-05-18 05:03:38,834 INFO [main.py:798]
{rank 0/64} MD step = 188900 step time: 00:00:00.372690 Performance: 26.593 ns/day 0.903 hours/ns 1.539 steps/s 2024-05-18 05:03:44,861 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 89.11 -19072 9766.6 -28839 -28839 3.7192 -0.28398 -1.8517 3.7841e+05 2024-05-18 05:04:19,920 INFO [main.py:798]
{rank 0/64} MD step = 189000 step time: 00:00:00.347806 Performance: 26.598 ns/day 0.902 hours/ns 1.539 steps/s 2024-05-18 05:04:24,964 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 89.743 -18915 9836 -28751 -28751 3.719 -0.28325 -1.8518 3.7861e+05 2024-05-18 05:05:00,545 INFO [main.py:798]
{rank 0/64} MD step = 189100 step time: 00:00:00.379582 Performance: 26.603 ns/day 0.902 hours/ns 1.540 steps/s 2024-05-18 05:05:09,016 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 89.717 -18842 9833.1 -28675 -28675 3.7171 -0.2835 -1.8511 3.7888e+05 2024-05-18 05:05:44,220 INFO [main.py:798]
{rank 0/64} MD step = 189200 step time: 00:00:00.356217 Performance: 26.608 ns/day 0.902 hours/ns 1.540 steps/s 2024-05-18 05:05:51,428 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 89.563 -19010 9816.2 -28827 -28827 3.7152 -0.28474 -1.8526 3.7902e+05 2024-05-18 05:06:26,403 INFO [main.py:798]
{rank 0/64} MD step = 189300 step time: 00:00:00.355032 Performance: 26.613 ns/day 0.902 hours/ns 1.540 steps/s 2024-05-18 05:06:33,073 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 89.605 -19228 9820.8 -29048 -29048 3.7161 -0.28508 -1.8522 3.7924e+05 2024-05-18 05:07:07,996 INFO [main.py:798]
{rank 0/64} MD step = 189400 step time: 00:00:00.329469 Performance: 26.618 ns/day 0.902 hours/ns 1.540 steps/s 2024-05-18 05:07:16,242 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 88.727 -19272 9724.6 -28996 -28996 3.7154 -0.28809 -1.852 3.7945e+05 2024-05-18 05:07:50,798 INFO [main.py:798]
{rank 0/64} MD step = 189500 step time: 00:00:00.342225 Performance: 26.622 ns/day 0.901 hours/ns 1.541 steps/s 2024-05-18 05:07:55,149 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 89.206 -19167 9777.1 -28944 -28944 3.7146 -0.28848 -1.8509 3.7966e+05 2024-05-18 05:08:34,685 INFO [main.py:798]
{rank 0/64} MD step = 189600 step time: 00:00:00.347065 Performance: 26.627 ns/day 0.901 hours/ns 1.541 steps/s 2024-05-18 05:08:40,371 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 90.036 -18961 9868.1 -28829 -28829 3.7141 -0.28962 -1.8514 3.7988e+05 2024-05-18 05:09:14,945 INFO [main.py:798]
{rank 0/64} MD step = 189700 step time: 00:00:00.353637 Performance: 26.632 ns/day 0.901 hours/ns 1.541 steps/s 2024-05-18 05:09:21,324 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 89.315 -19174 9789.1 -28963 -28963 3.7141 -0.29103 -1.8517 3.8002e+05 2024-05-18 05:09:56,560 INFO [main.py:798]
{rank 0/64} MD step = 189800 step time: 00:00:00.359837 Performance: 26.637 ns/day 0.901 hours/ns 1.542 steps/s 2024-05-18 05:10:02,679 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 90.222 -19025 9888.4 -28913 -28913 3.713 -0.29198 -1.8531 3.8028e+05 2024-05-18 05:10:37,180 INFO [main.py:798]
{rank 0/64} MD step = 189900 step time: 00:00:00.332442 Performance: 26.643 ns/day 0.901 hours/ns 1.542 steps/s 2024-05-18 05:10:43,080 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 89.985 -19084 9862.4 -28946 -28946 3.7128 -0.29474 -1.8541 3.8047e+05 2024-05-18 05:11:18,199 INFO [main.py:798]
{rank 0/64} MD step = 190000 step time: 00:00:00.341963 Performance: 26.648 ns/day 0.901 hours/ns 1.542 steps/s 2024-05-18 05:11:24,819 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 89.877 -19166 9850.7 -29017 -29017 3.7125 -0.29649 -1.8545 3.8064e+05 2024-05-18 05:11:59,357 INFO [main.py:798]
{rank 0/64} MD step = 190100 step time: 00:00:00.331552 Performance: 26.653 ns/day 0.900 hours/ns 1.542 steps/s 2024-05-18 05:12:05,746 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 90.594 -18905 9929.2 -28834 -28834 3.7131 -0.29797 -1.8541 3.8089e+05 2024-05-18 05:12:39,858 INFO [main.py:798]
{rank 0/64} MD step = 190200 step time: 00:00:00.328764 Performance: 26.658 ns/day 0.900 hours/ns 1.543 steps/s 2024-05-18 05:12:46,712 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 90.285 -19177 9895.4 -29073 -29073 3.7126 -0.29866 -1.8554 3.8107e+05 2024-05-18 05:13:21,437 INFO [main.py:798]
{rank 0/64} MD step = 190300 step time: 00:00:00.346447 Performance: 26.663 ns/day 0.900 hours/ns 1.543 steps/s 2024-05-18 05:13:26,392 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 90.188 -18984 9884.7 -28868 -28868 3.7126 -0.29845 -1.8548 3.8134e+05 2024-05-18 05:14:01,159 INFO [main.py:798]
{rank 0/64} MD step = 190400 step time: 00:00:00.330558 Performance: 26.669 ns/day 0.900 hours/ns 1.543 steps/s 2024-05-18 05:14:07,499 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 89.386 -19289 9796.8 -29086 -29086 3.7116 -0.30017 -1.8549 3.8148e+05 2024-05-18 05:14:41,760 INFO [main.py:798]
{rank 0/64} MD step = 190500 step time: 00:00:00.337190 Performance: 26.674 ns/day 0.900 hours/ns 1.544 steps/s 2024-05-18 05:14:47,780 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 89.461 -18998 9805.1 -28803 -28803 3.7123 -0.30099 -1.8565 3.8169e+05 2024-05-18 05:15:22,321 INFO [main.py:798]
{rank 0/64} MD step = 190600 step time: 00:00:00.337420 Performance: 26.679 ns/day 0.900 hours/ns 1.544 steps/s 2024-05-18 05:15:30,337 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 90.906 -18977 9963.4 -28941 -28941 3.7133 -0.30238 -1.8573 3.8188e+05 2024-05-18 05:16:04,732 INFO [main.py:798]
{rank 0/64} MD step = 190700 step time: 00:00:00.343946 Performance: 26.684 ns/day 0.899 hours/ns 1.544 steps/s 2024-05-18 05:16:10,455 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 91.258 -18941 10002 -28943 -28943 3.713 -0.30432 -1.8592 3.8208e+05 2024-05-18 05:16:45,294 INFO [main.py:798]
{rank 0/64} MD step = 190800 step time: 00:00:00.358732 Performance: 26.689 ns/day 0.899 hours/ns 1.545 steps/s 2024-05-18 05:16:50,653 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 90.163 -18998 9881.9 -28880 -28880 3.7136 -0.3051 -1.8598 3.8223e+05 2024-05-18 05:17:25,509 INFO [main.py:798]
{rank 0/64} MD step = 190900 step time: 00:00:00.349491 Performance: 26.694 ns/day 0.899 hours/ns 1.545 steps/s 2024-05-18 05:17:31,640 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 90.003 -18933 9864.5 -28797 -28797 3.7125 -0.30714 -1.8603 3.8243e+05 2024-05-18 05:18:06,459 INFO [main.py:798]
{rank 0/64} MD step = 191000 step time: 00:00:00.357431 Performance: 26.699 ns/day 0.899 hours/ns 1.545 steps/s 2024-05-18 05:18:11,837 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 89.659 -18940 9826.7 -28767 -28767 3.7115 -0.30825 -1.8618 3.8261e+05 2024-05-18 05:18:46,709 INFO [main.py:798]
{rank 0/64} MD step = 191100 step time: 00:00:00.360328 Performance: 26.705 ns/day 0.899 hours/ns 1.545 steps/s 2024-05-18 05:18:50,518 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 90.954 -18724 9968.7 -28692 -28692 3.7125 -0.30929 -1.8638 3.8285e+05 2024-05-18 05:19:26,122 INFO [main.py:798]
{rank 0/64} MD step = 191200 step time: 00:00:00.345451 Performance: 26.710 ns/day 0.899 hours/ns 1.546 steps/s 2024-05-18 05:19:31,106 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 88.435 -19085 9692.5 -28777 -28777 3.712 -0.31055 -1.8652 3.83e+05 2024-05-18 05:20:05,765 INFO [main.py:798]
{rank 0/64} MD step = 191300 step time: 00:00:00.330816 Performance: 26.716 ns/day 0.898 hours/ns 1.546 steps/s 2024-05-18 05:20:11,566 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 89.714 -19156 9832.7 -28989 -28989 3.7118 -0.31172 -1.8659 3.8319e+05 2024-05-18 05:20:46,242 INFO [main.py:798]
{rank 0/64} MD step = 191400 step time: 00:00:00.334319 Performance: 26.721 ns/day 0.898 hours/ns 1.546 steps/s 2024-05-18 05:20:52,617 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 89.765 -18845 9838.3 -28683 -28683 3.7107 -0.31137 -1.8661 3.8344e+05 2024-05-18 05:21:26,957 INFO [main.py:798]
{rank 0/64} MD step = 191500 step time: 00:00:00.348643 Performance: 26.726 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 05:21:33,277 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 89.458 -18988 9804.7 -28792 -28792 3.7097 -0.31086 -1.8654 3.8359e+05 2024-05-18 05:22:08,214 INFO [main.py:798]
{rank 0/64} MD step = 191600 step time: 00:00:00.328504 Performance: 26.731 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 05:22:16,318 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 90.606 -19065 9930.5 -28996 -28996 3.7075 -0.30915 -1.8663 3.8377e+05 2024-05-18 05:22:51,112 INFO [main.py:798]
{rank 0/64} MD step = 191700 step time: 00:00:00.328166 Performance: 26.736 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 05:22:59,455 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 89.57 -19152 9817 -28969 -28969 3.7057 -0.31034 -1.8661 3.84e+05 2024-05-18 05:23:34,126 INFO [main.py:798]
{rank 0/64} MD step = 191800 step time: 00:00:00.346848 Performance: 26.740 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 05:23:39,720 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 91.073 -18833 9981.7 -28815 -28815 3.7058 -0.3111 -1.866 3.8425e+05 2024-05-18 05:24:15,566 INFO [main.py:798]
{rank 0/64} MD step = 191900 step time: 00:00:00.348070 Performance: 26.745 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 05:24:25,569 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 91.149 -18952 9990 -28942 -28942 3.7068 -0.31225 -1.868 3.8444e+05 2024-05-18 05:25:00,595 INFO [main.py:798]
{rank 0/64} MD step = 192000 step time: 00:00:00.346538 Performance: 26.750 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 05:25:06,016 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 91.109 -19117 9985.7 -29103 -29103 3.7066 -0.31484 -1.8684 3.8465e+05 2024-05-18 05:25:40,403 INFO [main.py:798]
{rank 0/64} MD step = 192100 step time: 00:00:00.359644 Performance: 26.755 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 05:25:45,838 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 89.279 -19298 9785.1 -29083 -29083 3.7057 -0.31484 -1.8705 3.8483e+05 2024-05-18 05:26:21,455 INFO [main.py:798]
{rank 0/64} MD step = 192200 step time: 00:00:00.375180 Performance: 26.760 ns/day 0.897 hours/ns 1.549 steps/s 2024-05-18 05:26:27,333 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 91.079 -18936 9982.3 -28918 -28918 3.7044 -0.31606 -1.8707 3.8509e+05 2024-05-18 05:27:01,914 INFO [main.py:798]
{rank 0/64} MD step = 192300 step time: 00:00:00.354514 Performance: 26.765 ns/day 0.897 hours/ns 1.549 steps/s 2024-05-18 05:27:08,364 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 88.836 -19177 9736.6 -28914 -28914 3.7047 -0.31766 -1.8697 3.8529e+05 2024-05-18 05:27:43,378 INFO [main.py:798]
{rank 0/64} MD step = 192400 step time: 00:00:00.353696 Performance: 26.770 ns/day 0.897 hours/ns 1.549 steps/s 2024-05-18 05:27:48,756 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 90.287 -18982 9895.6 -28878 -28878 3.7054 -0.31783 -1.8694 3.8551e+05 2024-05-18 05:28:23,914 INFO [main.py:798]
{rank 0/64} MD step = 192500 step time: 00:00:00.355981 Performance: 26.775 ns/day 0.896 hours/ns 1.550 steps/s 2024-05-18 05:28:29,662 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 90.749 -18932 9946.2 -28878 -28878 3.7041 -0.31933 -1.8708 3.8575e+05 2024-05-18 05:29:04,635 INFO [main.py:798]
{rank 0/64} MD step = 192600 step time: 00:00:00.374731 Performance: 26.781 ns/day 0.896 hours/ns 1.550 steps/s 2024-05-18 05:29:09,834 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 89.48 -18999 9807.1 -28806 -28806 3.7033 -0.32046 -1.8703 3.8592e+05 2024-05-18 05:29:44,481 INFO [main.py:798]
{rank 0/64} MD step = 192700 step time: 00:00:00.361631 Performance: 26.786 ns/day 0.896 hours/ns 1.550 steps/s 2024-05-18 05:29:49,060 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 90.25 -18793 9891.5 -28685 -28685 3.7036 -0.3211 -1.8721 3.8615e+05 2024-05-18 05:30:26,109 INFO [main.py:798]
{rank 0/64} MD step = 192800 step time: 00:00:00.368589 Performance: 26.791 ns/day 0.896 hours/ns 1.550 steps/s 2024-05-18 05:30:31,164 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 90.24 -19023 9890.4 -28914 -28914 3.7045 -0.32158 -1.8729 3.8634e+05 2024-05-18 05:31:05,784 INFO [main.py:798]
{rank 0/64} MD step = 192900 step time: 00:00:00.350764 Performance: 26.796 ns/day 0.896 hours/ns 1.551 steps/s 2024-05-18 05:31:10,219 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 91.019 -19163 9975.8 -29139 -29139 3.704 -0.32261 -1.8712 3.8652e+05 2024-05-18 05:31:46,002 INFO [main.py:798]
{rank 0/64} MD step = 193000 step time: 00:00:00.354637 Performance: 26.801 ns/day 0.895 hours/ns 1.551 steps/s 2024-05-18 05:31:54,374 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 90.398 -19254 9907.8 -29162 -29162 3.7038 -0.32392 -1.8706 3.867e+05 2024-05-18 05:32:28,712 INFO [main.py:798]
{rank 0/64} MD step = 193100 step time: 00:00:00.351676 Performance: 26.806 ns/day 0.895 hours/ns 1.551 steps/s 2024-05-18 05:32:37,685 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 88.644 -19265 9715.5 -28980 -28980 3.7028 -0.32632 -1.8708 3.8693e+05 2024-05-18 05:33:14,077 INFO [main.py:798]
{rank 0/64} MD step = 193200 step time: 00:00:00.346362 Performance: 26.810 ns/day 0.895 hours/ns 1.552 steps/s 2024-05-18 05:33:19,147 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 90.354 -19125 9902.9 -29027 -29027 3.7025 -0.32896 -1.871 3.8713e+05 2024-05-18 05:33:53,864 INFO [main.py:798]
{rank 0/64} MD step = 193300 step time: 00:00:00.354324 Performance: 26.815 ns/day 0.895 hours/ns 1.552 steps/s 2024-05-18 05:33:59,482 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 89.164 -19158 9772.5 -28930 -28930 3.7018 -0.33105 -1.8723 3.8734e+05 2024-05-18 05:34:35,872 INFO [main.py:798]
{rank 0/64} MD step = 193400 step time: 00:00:00.376093 Performance: 26.820 ns/day 0.895 hours/ns 1.552 steps/s 2024-05-18 05:34:44,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193400 38680 90.284 -19098 9895.3 -28993 -28993 3.7026 -0.3319 -1.8715 3.8754e+05 2024-05-18 05:35:19,151 INFO [main.py:798]
{rank 0/64} MD step = 193500 step time: 00:00:00.352227 Performance: 26.825 ns/day 0.895 hours/ns 1.552 steps/s 2024-05-18 05:35:25,861 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 89.952 -18920 9858.8 -28779 -28779 3.7017 -0.33251 -1.873 3.8774e+05 2024-05-18 05:36:02,037 INFO [main.py:798]
{rank 0/64} MD step = 193600 step time: 00:00:00.370811 Performance: 26.830 ns/day 0.895 hours/ns 1.553 steps/s 2024-05-18 05:36:20,622 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 89.311 -18925 9788.6 -28713 -28713 3.7038 -0.33124 -1.8743 3.8796e+05 2024-05-18 05:37:00,054 INFO [main.py:798]
{rank 0/64} MD step = 193700 step time: 00:00:00.354689 Performance: 26.831 ns/day 0.894 hours/ns 1.553 steps/s 2024-05-18 05:37:07,114 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 89.991 -18994 9863.1 -28857 -28857 3.7026 -0.33192 -1.8751 3.8815e+05 2024-05-18 05:37:42,353 INFO [main.py:798]
{rank 0/64} MD step = 193800 step time: 00:00:00.385164 Performance: 26.836 ns/day 0.894 hours/ns 1.553 steps/s 2024-05-18 05:37:50,290 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 88.937 -19182 9747.6 -28930 -28930 3.7028 -0.33342 -1.8745 3.8832e+05 2024-05-18 05:38:25,841 INFO [main.py:798]
{rank 0/64} MD step = 193900 step time: 00:00:00.380045 Performance: 26.840 ns/day 0.894 hours/ns 1.553 steps/s 2024-05-18 05:38:32,333 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 90.818 -18850 9953.7 -28804 -28804 3.7007 -0.33297 -1.8749 3.8857e+05 2024-05-18 05:39:07,154 INFO [main.py:798]
{rank 0/64} MD step = 194000 step time: 00:00:00.332854 Performance: 26.845 ns/day 0.894 hours/ns 1.554 steps/s 2024-05-18 05:39:13,018 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 90.916 -18649 9964.5 -28614 -28614 3.699 -0.33389 -1.8738 3.8879e+05 2024-05-18 05:39:48,407 INFO [main.py:798]
{rank 0/64} MD step = 194100 step time: 00:00:00.336118 Performance: 26.850 ns/day 0.894 hours/ns 1.554 steps/s 2024-05-18 05:39:53,205 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 90.926 -18671 9965.6 -28636 -28636 3.6988 -0.33423 -1.8741 3.8898e+05 2024-05-18 05:40:29,802 INFO [main.py:798]
{rank 0/64} MD step = 194200 step time: 00:00:00.331543 Performance: 26.855 ns/day 0.894 hours/ns 1.554 steps/s 2024-05-18 05:40:37,095 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 88.897 -18837 9743.2 -28580 -28580 3.6989 -0.33438 -1.874 3.892e+05 2024-05-18 05:41:14,304 INFO [main.py:798]
{rank 0/64} MD step = 194300 step time: 00:00:00.335106 Performance: 26.859 ns/day 0.894 hours/ns 1.554 steps/s 2024-05-18 05:41:20,514 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 91.126 -18740 9987.5 -28727 -28727 3.6992 -0.33625 -1.8739 3.8935e+05 2024-05-18 05:41:55,185 INFO [main.py:798]
{rank 0/64} MD step = 194400 step time: 00:00:00.328434 Performance: 26.864 ns/day 0.893 hours/ns 1.555 steps/s 2024-05-18 05:42:00,813 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 90.427 -18792 9910.9 -28703 -28703 3.699 -0.33621 -1.8737 3.8957e+05 2024-05-18 05:42:35,676 INFO [main.py:798]
{rank 0/64} MD step = 194500 step time: 00:00:00.327460 Performance: 26.869 ns/day 0.893 hours/ns 1.555 steps/s 2024-05-18 05:42:41,031 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 89.374 -19093 9795.5 -28889 -28889 3.6985 -0.33741 -1.8737 3.897e+05 2024-05-18 05:43:16,561 INFO [main.py:798]
{rank 0/64} MD step = 194600 step time: 00:00:00.330330 Performance: 26.874 ns/day 0.893 hours/ns 1.555 steps/s 2024-05-18 05:43:23,375 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 91.217 -18767 9997.5 -28765 -28765 3.6978 -0.33987 -1.8736 3.8999e+05 2024-05-18 05:43:58,200 INFO [main.py:798]
{rank 0/64} MD step = 194700 step time: 00:00:00.329884 Performance: 26.879 ns/day 0.893 hours/ns 1.556 steps/s 2024-05-18 05:44:07,873 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 89.163 -19032 9772.3 -28804 -28804 3.6973 -0.3408 -1.8743 3.9016e+05 2024-05-18 05:44:42,552 INFO [main.py:798]
{rank 0/64} MD step = 194800 step time: 00:00:00.334873 Performance: 26.884 ns/day 0.893 hours/ns 1.556 steps/s 2024-05-18 05:44:48,450 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 89.386 -19371 9796.8 -29167 -29167 3.6957 -0.3424 -1.8744 3.9033e+05 2024-05-18 05:45:23,010 INFO [main.py:798]
{rank 0/64} MD step = 194900 step time: 00:00:00.363059 Performance: 26.889 ns/day 0.893 hours/ns 1.556 steps/s 2024-05-18 05:45:27,637 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 90.312 -19021 9898.3 -28919 -28919 3.6951 -0.34366 -1.8734 3.9059e+05 2024-05-18 05:46:02,617 INFO [main.py:798]
{rank 0/64} MD step = 195000 step time: 00:00:00.345318 Performance: 26.894 ns/day 0.892 hours/ns 1.556 steps/s 2024-05-18 05:46:07,535 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 89.242 -19057 9781.1 -28838 -28838 3.6959 -0.34511 -1.8726 3.9078e+05 2024-05-18 05:46:42,360 INFO [main.py:798]
{rank 0/64} MD step = 195100 step time: 00:00:00.338908 Performance: 26.899 ns/day 0.892 hours/ns 1.557 steps/s 2024-05-18 05:46:47,519 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 89.978 -19076 9861.7 -28938 -28938 3.6944 -0.3482 -1.8715 3.9099e+05 2024-05-18 05:47:24,448 INFO [main.py:798]
{rank 0/64} MD step = 195200 step time: 00:00:00.335106 Performance: 26.904 ns/day 0.892 hours/ns 1.557 steps/s 2024-05-18 05:47:30,331 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 89.534 -19128 9813 -28941 -28941 3.6935 -0.35 -1.8711 3.912e+05 2024-05-18 05:48:05,093 INFO [main.py:798]
{rank 0/64} MD step = 195300 step time: 00:00:00.348286 Performance: 26.909 ns/day 0.892 hours/ns 1.557 steps/s 2024-05-18 05:48:09,615 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 90.972 -18856 9970.7 -28827 -28827 3.6936 -0.35057 -1.8687 3.9142e+05 2024-05-18 05:48:46,511 INFO [main.py:798]
{rank 0/64} MD step = 195400 step time: 00:00:00.335775 Performance: 26.914 ns/day 0.892 hours/ns 1.558 steps/s 2024-05-18 05:48:53,341 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 90.327 -18856 9899.9 -28756 -28756 3.6921 -0.35066 -1.867 3.9161e+05 2024-05-18 05:49:28,165 INFO [main.py:798]
{rank 0/64} MD step = 195500 step time: 00:00:00.352124 Performance: 26.919 ns/day 0.892 hours/ns 1.558 steps/s 2024-05-18 05:49:33,176 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 89.535 -18936 9813.1 -28750 -28750 3.6922 -0.35135 -1.8679 3.9183e+05 2024-05-18 05:50:08,762 INFO [main.py:798]
{rank 0/64} MD step = 195600 step time: 00:00:00.347282 Performance: 26.924 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 05:50:15,123 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 90.984 -19222 9972 -29194 -29194 3.691 -0.35286 -1.8679 3.9199e+05 2024-05-18 05:50:49,607 INFO [main.py:798]
{rank 0/64} MD step = 195700 step time: 00:00:00.355042 Performance: 26.929 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 05:50:58,659 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 89.96 -19221 9859.7 -29081 -29081 3.691 -0.35324 -1.868 3.9221e+05 2024-05-18 05:51:33,848 INFO [main.py:798]
{rank 0/64} MD step = 195800 step time: 00:00:00.356551 Performance: 26.933 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 05:51:39,089 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 90.298 -19182 9896.8 -29079 -29079 3.6896 -0.35394 -1.8658 3.9242e+05 2024-05-18 05:52:15,258 INFO [main.py:798]
{rank 0/64} MD step = 195900 step time: 00:00:00.378029 Performance: 26.938 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 05:52:21,474 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 89.669 -19101 9827.9 -28929 -28929 3.689 -0.35493 -1.8658 3.9263e+05 2024-05-18 05:52:56,890 INFO [main.py:798]
{rank 0/64} MD step = 196000 step time: 00:00:00.380859 Performance: 26.943 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 05:53:02,864 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 88.959 -19365 9750 -29115 -29115 3.6886 -0.35615 -1.868 3.9279e+05 2024-05-18 05:53:37,921 INFO [main.py:798]
{rank 0/64} MD step = 196100 step time: 00:00:00.340961 Performance: 26.948 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 05:53:43,791 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 89.506 -19322 9810 -29132 -29132 3.6871 -0.35772 -1.8669 3.9303e+05 2024-05-18 05:54:18,215 INFO [main.py:798]
{rank 0/64} MD step = 196200 step time: 00:00:00.356774 Performance: 26.953 ns/day 0.890 hours/ns 1.560 steps/s 2024-05-18 05:54:23,538 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 90.062 -19309 9870.9 -29180 -29180 3.6867 -0.35951 -1.8663 3.932e+05 2024-05-18 05:54:58,174 INFO [main.py:798]
{rank 0/64} MD step = 196300 step time: 00:00:00.349132 Performance: 26.958 ns/day 0.890 hours/ns 1.560 steps/s 2024-05-18 05:55:02,407 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 89.992 -19336 9863.2 -29199 -29199 3.6858 -0.36095 -1.8661 3.9344e+05 2024-05-18 05:55:40,194 INFO [main.py:798]
{rank 0/64} MD step = 196400 step time: 00:00:00.354319 Performance: 26.963 ns/day 0.890 hours/ns 1.560 steps/s 2024-05-18 05:55:45,430 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 88.151 -19465 9661.5 -29126 -29126 3.6858 -0.36156 -1.8664 3.9366e+05 2024-05-18 05:56:20,175 INFO [main.py:798]
{rank 0/64} MD step = 196500 step time: 00:00:00.353458 Performance: 26.968 ns/day 0.890 hours/ns 1.561 steps/s 2024-05-18 05:56:27,297 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 90.286 -19257 9895.4 -29152 -29152 3.6846 -0.36303 -1.8659 3.9382e+05 2024-05-18 05:57:03,035 INFO [main.py:798]
{rank 0/64} MD step = 196600 step time: 00:00:00.345588 Performance: 26.972 ns/day 0.890 hours/ns 1.561 steps/s 2024-05-18 05:57:32,952 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 90.205 -19241 9886.5 -29127 -29127 3.6829 -0.36209 -1.8645 3.9405e+05 2024-05-18 05:58:07,642 INFO [main.py:798]
{rank 0/64} MD step = 196700 step time: 00:00:00.354294 Performance: 26.972 ns/day 0.890 hours/ns 1.561 steps/s 2024-05-18 05:58:14,750 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 90.037 -19168 9868.2 -29036 -29036 3.682 -0.3625 -1.8659 3.9429e+05 2024-05-18 05:58:49,425 INFO [main.py:798]
{rank 0/64} MD step = 196800 step time: 00:00:00.349289 Performance: 26.977 ns/day 0.890 hours/ns 1.561 steps/s 2024-05-18 05:58:55,969 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 89.932 -18969 9856.7 -28826 -28826 3.6827 -0.36082 -1.8648 3.9452e+05 2024-05-18 05:59:33,023 INFO [main.py:798]
{rank 0/64} MD step = 196900 step time: 00:00:00.390166 Performance: 26.982 ns/day 0.889 hours/ns 1.561 steps/s 2024-05-18 05:59:43,140 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 91.013 -18707 9975.1 -28682 -28682 3.6823 -0.35845 -1.8652 3.9474e+05 2024-05-18 06:00:18,108 INFO [main.py:798]
{rank 0/64} MD step = 197000 step time: 00:00:00.348861 Performance: 26.986 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 06:00:24,858 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 89.819 -19099 9844.3 -28943 -28943 3.6812 -0.35775 -1.8641 3.949e+05 2024-05-18 06:01:01,426 INFO [main.py:798]
{rank 0/64} MD step = 197100 step time: 00:00:00.336731 Performance: 26.990 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 06:01:10,230 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 88.445 -19251 9693.7 -28945 -28945 3.6819 -0.35977 -1.8637 3.9507e+05 2024-05-18 06:01:46,992 INFO [main.py:798]
{rank 0/64} MD step = 197200 step time: 00:00:00.344770 Performance: 26.994 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 06:01:52,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197200 39440 90.813 -18879 9953.2 -28832 -28832 3.6816 -0.35991 -1.8641 3.9528e+05 2024-05-18 06:02:29,246 INFO [main.py:798]
{rank 0/64} MD step = 197300 step time: 00:00:00.379584 Performance: 26.999 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 06:02:34,924 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 90.523 -19038 9921.4 -28959 -28959 3.6817 -0.36233 -1.8649 3.9551e+05 2024-05-18 06:03:09,860 INFO [main.py:798]
{rank 0/64} MD step = 197400 step time: 00:00:00.363615 Performance: 27.004 ns/day 0.889 hours/ns 1.563 steps/s 2024-05-18 06:03:15,090 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 89.24 -19267 9780.8 -29047 -29047 3.6818 -0.36368 -1.8649 3.957e+05 2024-05-18 06:03:52,450 INFO [main.py:798]
{rank 0/64} MD step = 197500 step time: 00:00:00.377924 Performance: 27.008 ns/day 0.889 hours/ns 1.563 steps/s 2024-05-18 06:04:08,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197500 39500 90.921 -19259 9965 -29224 -29224 3.6825 -0.36513 -1.8643 3.9586e+05 2024-05-18 06:04:45,338 INFO [main.py:798]
{rank 0/64} MD step = 197600 step time: 00:00:00.335300 Performance: 27.011 ns/day 0.889 hours/ns 1.563 steps/s 2024-05-18 06:04:50,818 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 90.075 -19076 9872.3 -28948 -28948 3.6825 -0.36726 -1.8649 3.961e+05 2024-05-18 06:05:24,852 INFO [main.py:798]
{rank 0/64} MD step = 197700 step time: 00:00:00.328905 Performance: 27.016 ns/day 0.888 hours/ns 1.563 steps/s 2024-05-18 06:05:30,804 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 90.515 -19178 9920.6 -29099 -29099 3.6814 -0.36883 -1.8661 3.963e+05 2024-05-18 06:06:08,412 INFO [main.py:798]
{rank 0/64} MD step = 197800 step time: 00:00:00.333290 Performance: 27.020 ns/day 0.888 hours/ns 1.564 steps/s 2024-05-18 06:06:12,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197800 39560 88.943 -19026 9748.3 -28774 -28774 3.6799 -0.37074 -1.8653 3.9656e+05 2024-05-18 06:06:49,586 INFO [main.py:798]
{rank 0/64} MD step = 197900 step time: 00:00:00.379026 Performance: 27.025 ns/day 0.888 hours/ns 1.564 steps/s 2024-05-18 06:06:54,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197900 39580 90.133 -19110 9878.7 -28989 -28989 3.6754 -0.37214 -1.8638 3.967e+05 2024-05-18 06:07:29,978 INFO [main.py:798]
{rank 0/64} MD step = 198000 step time: 00:00:00.357171 Performance: 27.030 ns/day 0.888 hours/ns 1.564 steps/s 2024-05-18 06:07:35,152 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 89.921 -19067 9855.4 -28923 -28923 3.6744 -0.37249 -1.8621 3.9695e+05 2024-05-18 06:08:10,099 INFO [main.py:798]
{rank 0/64} MD step = 198100 step time: 00:00:00.363333 Performance: 27.035 ns/day 0.888 hours/ns 1.565 steps/s 2024-05-18 06:08:14,851 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 90.813 -19008 9953.2 -28962 -28962 3.6735 -0.37293 -1.8615 3.9707e+05 2024-05-18 06:08:50,264 INFO [main.py:798]
{rank 0/64} MD step = 198200 step time: 00:00:00.383424 Performance: 27.040 ns/day 0.888 hours/ns 1.565 steps/s 2024-05-18 06:08:57,325 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 90.291 -18956 9896 -28852 -28852 3.6727 -0.37431 -1.8598 3.9732e+05 2024-05-18 06:09:31,607 INFO [main.py:798]
{rank 0/64} MD step = 198300 step time: 00:00:00.346841 Performance: 27.045 ns/day 0.887 hours/ns 1.565 steps/s 2024-05-18 06:09:40,869 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 90.004 -19172 9864.5 -29037 -29037 3.6709 -0.37574 -1.8583 3.9751e+05 2024-05-18 06:10:15,454 INFO [main.py:798]
{rank 0/64} MD step = 198400 step time: 00:00:00.355094 Performance: 27.049 ns/day 0.887 hours/ns 1.565 steps/s 2024-05-18 06:10:21,033 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 90.496 -19134 9918.5 -29052 -29052 3.6701 -0.37553 -1.8577 3.977e+05 2024-05-18 06:10:55,363 INFO [main.py:798]
{rank 0/64} MD step = 198500 step time: 00:00:00.353564 Performance: 27.054 ns/day 0.887 hours/ns 1.566 steps/s 2024-05-18 06:11:01,217 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 89.577 -19139 9817.8 -28957 -28957 3.6691 -0.37649 -1.8578 3.9793e+05 2024-05-18 06:11:36,231 INFO [main.py:798]
{rank 0/64} MD step = 198600 step time: 00:00:00.339418 Performance: 27.059 ns/day 0.887 hours/ns 1.566 steps/s 2024-05-18 06:11:42,437 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 90.686 -19126 9939.3 -29065 -29065 3.667 -0.3753 -1.8572 3.981e+05 2024-05-18 06:12:18,502 INFO [main.py:798]
{rank 0/64} MD step = 198700 step time: 00:00:00.377573 Performance: 27.064 ns/day 0.887 hours/ns 1.566 steps/s 2024-05-18 06:12:24,592 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 90.952 -19088 9968.4 -29056 -29056 3.6661 -0.37448 -1.8582 3.9831e+05 2024-05-18 06:12:59,438 INFO [main.py:798]
{rank 0/64} MD step = 198800 step time: 00:00:00.347350 Performance: 27.069 ns/day 0.887 hours/ns 1.566 steps/s 2024-05-18 06:13:04,796 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 90.355 -19079 9903 -28982 -28982 3.6654 -0.37694 -1.8588 3.9853e+05 2024-05-18 06:13:39,508 INFO [main.py:798]
{rank 0/64} MD step = 198900 step time: 00:00:00.343678 Performance: 27.074 ns/day 0.886 hours/ns 1.567 steps/s 2024-05-18 06:13:45,702 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 88.64 -19279 9715 -28994 -28994 3.6636 -0.37751 -1.8593 3.9871e+05 2024-05-18 06:14:23,345 INFO [main.py:798]
{rank 0/64} MD step = 199000 step time: 00:00:00.372060 Performance: 27.078 ns/day 0.886 hours/ns 1.567 steps/s 2024-05-18 06:14:30,329 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 90.216 -19199 9887.8 -29087 -29087 3.6634 -0.37861 -1.8597 3.9891e+05 2024-05-18 06:15:05,237 INFO [main.py:798]
{rank 0/64} MD step = 199100 step time: 00:00:00.375563 Performance: 27.083 ns/day 0.886 hours/ns 1.567 steps/s 2024-05-18 06:15:16,352 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 89.325 -19145 9790.2 -28935 -28935 3.6612 -0.38191 -1.8592 3.9916e+05 2024-05-18 06:15:51,350 INFO [main.py:798]
{rank 0/64} MD step = 199200 step time: 00:00:00.375193 Performance: 27.087 ns/day 0.886 hours/ns 1.568 steps/s 2024-05-18 06:15:59,298 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 89.819 -19283 9844.3 -29128 -29128 3.6614 -0.38347 -1.8577 3.9937e+05 2024-05-18 06:16:34,051 INFO [main.py:798]
{rank 0/64} MD step = 199300 step time: 00:00:00.351406 Performance: 27.091 ns/day 0.886 hours/ns 1.568 steps/s 2024-05-18 06:16:39,073 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 89.614 -19231 9821.8 -29053 -29053 3.6599 -0.38433 -1.8573 3.9958e+05 2024-05-18 06:17:14,784 INFO [main.py:798]
{rank 0/64} MD step = 199400 step time: 00:00:00.348045 Performance: 27.096 ns/day 0.886 hours/ns 1.568 steps/s 2024-05-18 06:17:21,379 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 90.856 -19061 9957.9 -29019 -29019 3.6596 -0.38465 -1.8556 3.9977e+05 2024-05-18 06:17:56,117 INFO [main.py:798]
{rank 0/64} MD step = 199500 step time: 00:00:00.363608 Performance: 27.101 ns/day 0.886 hours/ns 1.568 steps/s 2024-05-18 06:18:01,895 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 89.706 -19238 9831.9 -29069 -29069 3.6592 -0.386 -1.8554 4e+05 2024-05-18 06:18:37,530 INFO [main.py:798]
{rank 0/64} MD step = 199600 step time: 00:00:00.380432 Performance: 27.105 ns/day 0.885 hours/ns 1.569 steps/s 2024-05-18 06:18:55,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199600 39920 90.361 -19080 9903.6 -28984 -28984 3.657 -0.38749 -1.8542 4.0016e+05 2024-05-18 06:19:29,915 INFO [main.py:798]
{rank 0/64} MD step = 199700 step time: 00:00:00.333164 Performance: 27.108 ns/day 0.885 hours/ns 1.569 steps/s 2024-05-18 06:19:36,538 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 89.645 -19076 9825.3 -28901 -28901 3.6554 -0.3884 -1.8532 4.0037e+05 2024-05-18 06:20:12,419 INFO [main.py:798]
{rank 0/64} MD step = 199800 step time: 00:00:00.329531 Performance: 27.112 ns/day 0.885 hours/ns 1.569 steps/s 2024-05-18 06:20:28,739 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 90.297 -19253 9896.6 -29149 -29149 3.6546 -0.39054 -1.853 4.0054e+05 2024-05-18 06:21:05,103 INFO [main.py:798]
{rank 0/64} MD step = 199900 step time: 00:00:00.333726 Performance: 27.115 ns/day 0.885 hours/ns 1.569 steps/s 2024-05-18 06:21:13,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199900 39980 90.012 -19365 9865.4 -29230 -29230 3.6519 -0.39185 -1.8527 4.0071e+05 2024-05-18 06:21:47,753 INFO [main.py:798]
{rank 0/64} MD step = 200000 step time: 00:00:00.354630 Performance: 27.119 ns/day 0.885 hours/ns 1.569 steps/s 2024-05-18 06:21:55,535 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 90.175 -19160 9883.3 -29043 -29043 3.6509 -0.3932 -1.8536 4.0089e+05 2024-05-18 06:22:30,265 INFO [main.py:798]
{rank 0/64} MD step = 200100 step time: 00:00:00.364575 Performance: 27.124 ns/day 0.885 hours/ns 1.570 steps/s 2024-05-18 06:22:41,332 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 89.824 -19066 9844.8 -28911 -28911 3.6498 -0.39515 -1.8546 4.0112e+05 2024-05-18 06:23:17,802 INFO [main.py:798]
{rank 0/64} MD step = 200200 step time: 00:00:00.341547 Performance: 27.127 ns/day 0.885 hours/ns 1.570 steps/s 2024-05-18 06:23:24,442 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 89.776 -19147 9839.6 -28987 -28987 3.6498 -0.39746 -1.8531 4.0127e+05 2024-05-18 06:23:58,870 INFO [main.py:798]
{rank 0/64} MD step = 200300 step time: 00:00:00.356559 Performance: 27.132 ns/day 0.885 hours/ns 1.570 steps/s 2024-05-18 06:24:08,588 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 88.958 -19131 9749.9 -28881 -28881 3.6485 -0.39722 -1.8517 4.0151e+05 2024-05-18 06:24:45,162 INFO [main.py:798]
{rank 0/64} MD step = 200400 step time: 00:00:00.377700 Performance: 27.136 ns/day 0.884 hours/ns 1.570 steps/s 2024-05-18 06:24:51,638 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 89.908 -19043 9854 -28898 -28898 3.6481 -0.39766 -1.8518 4.0168e+05 2024-05-18 06:25:26,362 INFO [main.py:798]
{rank 0/64} MD step = 200500 step time: 00:00:00.344051 Performance: 27.141 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 06:25:31,325 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 89.027 -19174 9757.4 -28931 -28931 3.6475 -0.39597 -1.852 4.0187e+05 2024-05-18 06:26:06,604 INFO [main.py:798]
{rank 0/64} MD step = 200600 step time: 00:00:00.352004 Performance: 27.145 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 06:26:12,001 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 89.605 -19092 9820.8 -28912 -28912 3.646 -0.39236 -1.8532 4.0209e+05 2024-05-18 06:26:46,568 INFO [main.py:798]
{rank 0/64} MD step = 200700 step time: 00:00:00.347132 Performance: 27.151 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 06:26:52,537 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 89.348 -19001 9792.6 -28794 -28794 3.6427 -0.39112 -1.8525 4.0231e+05 2024-05-18 06:27:26,781 INFO [main.py:798]
{rank 0/64} MD step = 200800 step time: 00:00:00.363261 Performance: 27.155 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 06:27:32,422 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 89.108 -19060 9766.4 -28826 -28826 3.6421 -0.3906 -1.8504 4.0249e+05 2024-05-18 06:28:07,808 INFO [main.py:798]
{rank 0/64} MD step = 200900 step time: 00:00:00.342978 Performance: 27.160 ns/day 0.884 hours/ns 1.572 steps/s 2024-05-18 06:28:13,704 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 90.148 -18998 9880.4 -28878 -28878 3.6415 -0.39038 -1.8499 4.0272e+05 2024-05-18 06:28:48,717 INFO [main.py:798]
{rank 0/64} MD step = 201000 step time: 00:00:00.374960 Performance: 27.165 ns/day 0.883 hours/ns 1.572 steps/s 2024-05-18 06:28:54,877 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 90.714 -19164 9942.3 -29107 -29107 3.6412 -0.39086 -1.8487 4.0289e+05 2024-05-18 06:29:29,435 INFO [main.py:798]
{rank 0/64} MD step = 201100 step time: 00:00:00.345327 Performance: 27.170 ns/day 0.883 hours/ns 1.572 steps/s 2024-05-18 06:29:35,517 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 89.334 -19275 9791.1 -29066 -29066 3.6407 -0.39122 -1.8493 4.0313e+05 2024-05-18 06:30:11,187 INFO [main.py:798]
{rank 0/64} MD step = 201200 step time: 00:00:00.343390 Performance: 27.175 ns/day 0.883 hours/ns 1.573 steps/s 2024-05-18 06:30:17,112 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 89.409 -19203 9799.4 -29002 -29002 3.6374 -0.39286 -1.8479 4.0333e+05 2024-05-18 06:30:52,384 INFO [main.py:798]
{rank 0/64} MD step = 201300 step time: 00:00:00.379722 Performance: 27.179 ns/day 0.883 hours/ns 1.573 steps/s 2024-05-18 06:30:57,199 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 88.775 -19416 9729.9 -29146 -29146 3.6365 -0.39314 -1.8461 4.0354e+05 2024-05-18 06:31:33,751 INFO [main.py:798]
{rank 0/64} MD step = 201400 step time: 00:00:00.378941 Performance: 27.184 ns/day 0.883 hours/ns 1.573 steps/s 2024-05-18 06:31:39,478 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 89.122 -19187 9767.9 -28955 -28955 3.6346 -0.39309 -1.8477 4.0373e+05 2024-05-18 06:32:14,581 INFO [main.py:798]
{rank 0/64} MD step = 201500 step time: 00:00:00.357437 Performance: 27.189 ns/day 0.883 hours/ns 1.573 steps/s 2024-05-18 06:32:20,150 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 87.93 -19446 9637.3 -29083 -29083 3.6332 -0.39368 -1.8482 4.0397e+05 2024-05-18 06:32:54,881 INFO [main.py:798]
{rank 0/64} MD step = 201600 step time: 00:00:00.352429 Performance: 27.194 ns/day 0.883 hours/ns 1.574 steps/s 2024-05-18 06:33:00,609 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 88.839 -19202 9736.9 -28938 -28938 3.6322 -0.39426 -1.8489 4.0418e+05 2024-05-18 06:33:35,143 INFO [main.py:798]
{rank 0/64} MD step = 201700 step time: 00:00:00.339800 Performance: 27.199 ns/day 0.882 hours/ns 1.574 steps/s 2024-05-18 06:33:40,855 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 89.887 -19034 9851.8 -28885 -28885 3.6309 -0.39534 -1.8491 4.0437e+05 2024-05-18 06:34:15,378 INFO [main.py:798]
{rank 0/64} MD step = 201800 step time: 00:00:00.352479 Performance: 27.204 ns/day 0.882 hours/ns 1.574 steps/s 2024-05-18 06:34:29,561 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 89.097 -19043 9765.2 -28808 -28808 3.6296 -0.39631 -1.8499 4.0459e+05 2024-05-18 06:35:04,154 INFO [main.py:798]
{rank 0/64} MD step = 201900 step time: 00:00:00.359096 Performance: 27.207 ns/day 0.882 hours/ns 1.574 steps/s 2024-05-18 06:35:09,520 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 90.527 -18971 9921.9 -28893 -28893 3.6293 -0.39857 -1.8504 4.0474e+05 2024-05-18 06:35:44,780 INFO [main.py:798]
{rank 0/64} MD step = 202000 step time: 00:00:00.356515 Performance: 27.212 ns/day 0.882 hours/ns 1.575 steps/s 2024-05-18 06:35:52,863 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 90.2 -18924 9886.1 -28810 -28810 3.6285 -0.39883 -1.8504 4.0498e+05 2024-05-18 06:36:27,594 INFO [main.py:798]
{rank 0/64} MD step = 202100 step time: 00:00:00.341610 Performance: 27.216 ns/day 0.882 hours/ns 1.575 steps/s 2024-05-18 06:36:36,833 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 89.927 -18814 9856.1 -28670 -28670 3.628 -0.39917 -1.8508 4.0517e+05 2024-05-18 06:37:11,590 INFO [main.py:798]
{rank 0/64} MD step = 202200 step time: 00:00:00.348600 Performance: 27.220 ns/day 0.882 hours/ns 1.575 steps/s 2024-05-18 06:37:16,836 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 90.884 -18911 9961 -28872 -28872 3.6274 -0.40179 -1.8492 4.0538e+05 2024-05-18 06:37:51,663 INFO [main.py:798]
{rank 0/64} MD step = 202300 step time: 00:00:00.348954 Performance: 27.225 ns/day 0.882 hours/ns 1.576 steps/s 2024-05-18 06:37:57,732 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 89.594 -18997 9819.6 -28817 -28817 3.6275 -0.40212 -1.848 4.0558e+05 2024-05-18 06:38:32,611 INFO [main.py:798]
{rank 0/64} MD step = 202400 step time: 00:00:00.357776 Performance: 27.230 ns/day 0.881 hours/ns 1.576 steps/s 2024-05-18 06:38:40,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202400 40480 90.58 -18968 9927.7 -28896 -28896 3.6255 -0.40179 -1.8483 4.0577e+05 2024-05-18 06:39:14,992 INFO [main.py:798]
{rank 0/64} MD step = 202500 step time: 00:00:00.362297 Performance: 27.234 ns/day 0.881 hours/ns 1.576 steps/s 2024-05-18 06:39:19,433 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 89.095 -18899 9765 -28664 -28664 3.6255 -0.40235 -1.8468 4.06e+05 2024-05-18 06:39:54,250 INFO [main.py:798]
{rank 0/64} MD step = 202600 step time: 00:00:00.341803 Performance: 27.240 ns/day 0.881 hours/ns 1.576 steps/s 2024-05-18 06:39:59,283 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 89.992 -18825 9863.2 -28688 -28688 3.6244 -0.40029 -1.8466 4.0621e+05 2024-05-18 06:40:33,850 INFO [main.py:798]
{rank 0/64} MD step = 202700 step time: 00:00:00.348889 Performance: 27.245 ns/day 0.881 hours/ns 1.577 steps/s 2024-05-18 06:40:40,062 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 89.139 -19034 9769.7 -28804 -28804 3.6213 -0.3968 -1.8475 4.0637e+05 2024-05-18 06:41:14,573 INFO [main.py:798]
{rank 0/64} MD step = 202800 step time: 00:00:00.358464 Performance: 27.249 ns/day 0.881 hours/ns 1.577 steps/s 2024-05-18 06:41:19,422 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 90.544 -18820 9923.7 -28744 -28744 3.6194 -0.39503 -1.8473 4.0654e+05 2024-05-18 06:41:55,051 INFO [main.py:798]
{rank 0/64} MD step = 202900 step time: 00:00:00.374730 Performance: 27.254 ns/day 0.881 hours/ns 1.577 steps/s 2024-05-18 06:42:00,317 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 89.666 -19006 9827.5 -28833 -28833 3.6183 -0.39414 -1.8461 4.0671e+05 2024-05-18 06:42:35,149 INFO [main.py:798]
{rank 0/64} MD step = 203000 step time: 00:00:00.364468 Performance: 27.259 ns/day 0.880 hours/ns 1.578 steps/s 2024-05-18 06:42:40,265 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 90.669 -19011 9937.5 -28948 -28948 3.6171 -0.39403 -1.8454 4.0694e+05 2024-05-18 06:43:14,944 INFO [main.py:798]
{rank 0/64} MD step = 203100 step time: 00:00:00.350332 Performance: 27.264 ns/day 0.880 hours/ns 1.578 steps/s 2024-05-18 06:43:20,553 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 89.96 -19086 9859.7 -28946 -28946 3.6147 -0.39134 -1.8456 4.0715e+05 2024-05-18 06:43:55,211 INFO [main.py:798]
{rank 0/64} MD step = 203200 step time: 00:00:00.406486 Performance: 27.269 ns/day 0.880 hours/ns 1.578 steps/s 2024-05-18 06:44:00,279 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 89.201 -19308 9776.5 -29085 -29085 3.6142 -0.38977 -1.8463 4.0735e+05 2024-05-18 06:44:35,871 INFO [main.py:798]
{rank 0/64} MD step = 203300 step time: 00:00:00.344266 Performance: 27.274 ns/day 0.880 hours/ns 1.578 steps/s 2024-05-18 06:44:42,752 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 89.691 -19077 9830.2 -28907 -28907 3.6152 -0.3896 -1.8469 4.0756e+05 2024-05-18 06:45:17,414 INFO [main.py:798]
{rank 0/64} MD step = 203400 step time: 00:00:00.370741 Performance: 27.279 ns/day 0.880 hours/ns 1.579 steps/s 2024-05-18 06:45:23,124 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 88.627 -19089 9713.7 -28803 -28803 3.6157 -0.38905 -1.8485 4.0778e+05 2024-05-18 06:45:57,650 INFO [main.py:798]
{rank 0/64} MD step = 203500 step time: 00:00:00.350080 Performance: 27.283 ns/day 0.880 hours/ns 1.579 steps/s 2024-05-18 06:46:03,126 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 90.082 -18843 9873.1 -28716 -28716 3.6165 -0.38856 -1.8483 4.08e+05 2024-05-18 06:46:38,002 INFO [main.py:798]
{rank 0/64} MD step = 203600 step time: 00:00:00.356356 Performance: 27.288 ns/day 0.879 hours/ns 1.579 steps/s 2024-05-18 06:46:43,415 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 90.825 -18958 9954.5 -28912 -28912 3.6152 -0.38614 -1.847 4.0816e+05 2024-05-18 06:47:18,256 INFO [main.py:798]
{rank 0/64} MD step = 203700 step time: 00:00:00.341554 Performance: 27.293 ns/day 0.879 hours/ns 1.579 steps/s 2024-05-18 06:47:24,997 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 89.359 -19106 9793.9 -28900 -28900 3.6142 -0.3841 -1.8467 4.084e+05 2024-05-18 06:48:00,520 INFO [main.py:798]
{rank 0/64} MD step = 203800 step time: 00:00:00.363167 Performance: 27.298 ns/day 0.879 hours/ns 1.580 steps/s 2024-05-18 06:48:04,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203800 40760 91.26 -18821 10002 -28823 -28823 3.613 -0.38215 -1.8474 4.086e+05 2024-05-18 06:48:41,705 INFO [main.py:798]
{rank 0/64} MD step = 203900 step time: 00:00:00.354442 Performance: 27.302 ns/day 0.879 hours/ns 1.580 steps/s 2024-05-18 06:48:51,482 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 90.042 -18931 9868.8 -28799 -28799 3.6113 -0.37794 -1.8469 4.0882e+05 2024-05-18 06:49:26,733 INFO [main.py:798]
{rank 0/64} MD step = 204000 step time: 00:00:00.387625 Performance: 27.306 ns/day 0.879 hours/ns 1.580 steps/s 2024-05-18 06:49:30,274 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 91.027 -19078 9976.7 -29055 -29055 3.6106 -0.37707 -1.8474 4.0897e+05 2024-05-18 06:50:04,875 INFO [main.py:798]
{rank 0/64} MD step = 204100 step time: 00:00:00.352362 Performance: 27.311 ns/day 0.879 hours/ns 1.581 steps/s 2024-05-18 06:50:10,473 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 89.801 -19096 9842.3 -28938 -28938 3.6095 -0.3773 -1.8458 4.0919e+05 2024-05-18 06:50:44,765 INFO [main.py:798]
{rank 0/64} MD step = 204200 step time: 00:00:00.335821 Performance: 27.316 ns/day 0.879 hours/ns 1.581 steps/s 2024-05-18 06:50:52,583 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 90.011 -19024 9865.3 -28890 -28890 3.6075 -0.37673 -1.846 4.0942e+05 2024-05-18 06:51:27,146 INFO [main.py:798]
{rank 0/64} MD step = 204300 step time: 00:00:00.337464 Performance: 27.321 ns/day 0.878 hours/ns 1.581 steps/s 2024-05-18 06:51:34,155 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 90.56 -18977 9925.5 -28903 -28903 3.6056 -0.37667 -1.8454 4.0958e+05 2024-05-18 06:52:08,931 INFO [main.py:798]
{rank 0/64} MD step = 204400 step time: 00:00:00.359169 Performance: 27.325 ns/day 0.878 hours/ns 1.581 steps/s 2024-05-18 06:52:17,449 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 90.956 -18932 9968.9 -28900 -28900 3.6033 -0.37456 -1.845 4.0982e+05 2024-05-18 06:52:52,150 INFO [main.py:798]
{rank 0/64} MD step = 204500 step time: 00:00:00.353131 Performance: 27.330 ns/day 0.878 hours/ns 1.582 steps/s 2024-05-18 06:52:58,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204500 40900 90.962 -19003 9969.5 -28972 -28972 3.6029 -0.37259 -1.8428 4.1e+05 2024-05-18 06:53:33,588 INFO [main.py:798]
{rank 0/64} MD step = 204600 step time: 00:00:00.352588 Performance: 27.334 ns/day 0.878 hours/ns 1.582 steps/s 2024-05-18 06:53:39,422 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 91.076 -18882 9982.1 -28864 -28864 3.6002 -0.37159 -1.8438 4.1022e+05 2024-05-18 06:54:14,086 INFO [main.py:798]
{rank 0/64} MD step = 204700 step time: 00:00:00.334625 Performance: 27.339 ns/day 0.878 hours/ns 1.582 steps/s 2024-05-18 06:54:21,517 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 90.478 -19088 9916.5 -29004 -29004 3.5974 -0.36824 -1.8453 4.1048e+05 2024-05-18 06:54:56,526 INFO [main.py:798]
{rank 0/64} MD step = 204800 step time: 00:00:00.339502 Performance: 27.343 ns/day 0.878 hours/ns 1.582 steps/s 2024-05-18 06:55:02,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204800 40960 89.174 -19101 9773.5 -28875 -28875 3.5958 -0.3682 -1.8463 4.1069e+05 2024-05-18 06:55:37,260 INFO [main.py:798]
{rank 0/64} MD step = 204900 step time: 00:00:00.344957 Performance: 27.348 ns/day 0.878 hours/ns 1.583 steps/s 2024-05-18 06:55:47,848 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 91.643 -18658 10044 -28702 -28702 3.5941 -0.36967 -1.8444 4.1092e+05 2024-05-18 06:56:22,553 INFO [main.py:798]
{rank 0/64} MD step = 205000 step time: 00:00:00.360042 Performance: 27.352 ns/day 0.877 hours/ns 1.583 steps/s 2024-05-18 06:56:28,438 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 89.577 -19012 9817.7 -28830 -28830 3.5941 -0.36875 -1.8455 4.1113e+05 2024-05-18 06:57:02,759 INFO [main.py:798]
{rank 0/64} MD step = 205100 step time: 00:00:00.376218 Performance: 27.357 ns/day 0.877 hours/ns 1.583 steps/s 2024-05-18 06:57:08,850 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 89.462 -19035 9805.2 -28840 -28840 3.5926 -0.36833 -1.8461 4.1134e+05 2024-05-18 06:57:43,226 INFO [main.py:798]
{rank 0/64} MD step = 205200 step time: 00:00:00.342325 Performance: 27.362 ns/day 0.877 hours/ns 1.583 steps/s 2024-05-18 06:57:47,508 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 89.142 -18998 9770.1 -28768 -28768 3.59 -0.3681 -1.8462 4.1158e+05 2024-05-18 06:58:24,305 INFO [main.py:798]
{rank 0/64} MD step = 205300 step time: 00:00:00.383037 Performance: 27.366 ns/day 0.877 hours/ns 1.584 steps/s 2024-05-18 06:58:32,802 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 89.859 -18911 9848.6 -28759 -28759 3.5894 -0.36891 -1.8448 4.1177e+05 2024-05-18 06:59:08,439 INFO [main.py:798]
{rank 0/64} MD step = 205400 step time: 00:00:00.374085 Performance: 27.370 ns/day 0.877 hours/ns 1.584 steps/s 2024-05-18 06:59:14,551 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 90.403 -18958 9908.3 -28867 -28867 3.589 -0.37022 -1.8443 4.1196e+05 2024-05-18 06:59:49,174 INFO [main.py:798]
{rank 0/64} MD step = 205500 step time: 00:00:00.348978 Performance: 27.375 ns/day 0.877 hours/ns 1.584 steps/s 2024-05-18 06:59:54,373 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 91.118 -18707 9986.6 -28694 -28694 3.5898 -0.3721 -1.8449 4.1218e+05 2024-05-18 07:00:29,537 INFO [main.py:798]
{rank 0/64} MD step = 205600 step time: 00:00:00.355431 Performance: 27.380 ns/day 0.877 hours/ns 1.584 steps/s 2024-05-18 07:00:34,693 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 91.244 -18960 10000 -28961 -28961 3.5884 -0.37204 -1.8449 4.1234e+05 2024-05-18 07:01:09,538 INFO [main.py:798]
{rank 0/64} MD step = 205700 step time: 00:00:00.354497 Performance: 27.385 ns/day 0.876 hours/ns 1.585 steps/s 2024-05-18 07:01:14,676 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 90.261 -18912 9892.7 -28805 -28805 3.5869 -0.37215 -1.8448 4.1254e+05 2024-05-18 07:01:49,526 INFO [main.py:798]
{rank 0/64} MD step = 205800 step time: 00:00:00.374959 Performance: 27.390 ns/day 0.876 hours/ns 1.585 steps/s 2024-05-18 07:01:55,676 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 89.404 -18873 9798.7 -28672 -28672 3.5894 -0.37135 -1.8429 4.1279e+05 2024-05-18 07:02:30,453 INFO [main.py:798]
{rank 0/64} MD step = 205900 step time: 00:00:00.362174 Performance: 27.394 ns/day 0.876 hours/ns 1.585 steps/s 2024-05-18 07:02:45,058 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 91.717 -18695 10052 -28748 -28748 3.5884 -0.37145 -1.8442 4.13e+05 2024-05-18 07:03:19,962 INFO [main.py:798]
{rank 0/64} MD step = 206000 step time: 00:00:00.355383 Performance: 27.397 ns/day 0.876 hours/ns 1.585 steps/s 2024-05-18 07:03:25,876 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 90.19 -18739 9884.9 -28624 -28624 3.5851 -0.37077 -1.8435 4.1322e+05 2024-05-18 07:04:01,081 INFO [main.py:798]
{rank 0/64} MD step = 206100 step time: 00:00:00.347635 Performance: 27.402 ns/day 0.876 hours/ns 1.586 steps/s 2024-05-18 07:04:22,543 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 88.791 -19032 9731.7 -28763 -28763 3.5842 -0.3713 -1.8423 4.1338e+05 2024-05-18 07:04:59,478 INFO [main.py:798]
{rank 0/64} MD step = 206200 step time: 00:00:00.335072 Performance: 27.403 ns/day 0.876 hours/ns 1.586 steps/s 2024-05-18 07:05:04,951 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 90.4 -18860 9907.9 -28768 -28768 3.582 -0.37236 -1.8414 4.1361e+05 2024-05-18 07:05:39,713 INFO [main.py:798]
{rank 0/64} MD step = 206300 step time: 00:00:00.331468 Performance: 27.407 ns/day 0.876 hours/ns 1.586 steps/s 2024-05-18 07:05:43,844 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 89.652 -18926 9825.9 -28752 -28752 3.5788 -0.37414 -1.841 4.138e+05 2024-05-18 07:06:21,604 INFO [main.py:798]
{rank 0/64} MD step = 206400 step time: 00:00:00.328615 Performance: 27.412 ns/day 0.876 hours/ns 1.586 steps/s 2024-05-18 07:06:28,194 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 88.661 -18887 9717.4 -28604 -28604 3.5766 -0.37612 -1.8408 4.14e+05 2024-05-18 07:07:02,759 INFO [main.py:798]
{rank 0/64} MD step = 206500 step time: 00:00:00.333627 Performance: 27.417 ns/day 0.875 hours/ns 1.587 steps/s 2024-05-18 07:07:08,543 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 89.915 -19036 9854.8 -28890 -28890 3.5745 -0.37729 -1.8415 4.1416e+05 2024-05-18 07:07:44,073 INFO [main.py:798]
{rank 0/64} MD step = 206600 step time: 00:00:00.328703 Performance: 27.421 ns/day 0.875 hours/ns 1.587 steps/s 2024-05-18 07:07:53,647 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 89.271 -19133 9784.3 -28917 -28917 3.5725 -0.37876 -1.8415 4.1434e+05 2024-05-18 07:08:28,311 INFO [main.py:798]
{rank 0/64} MD step = 206700 step time: 00:00:00.328704 Performance: 27.425 ns/day 0.875 hours/ns 1.587 steps/s 2024-05-18 07:08:36,242 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 90.419 -18972 9910 -28882 -28882 3.5736 -0.38059 -1.8409 4.1453e+05 2024-05-18 07:09:10,666 INFO [main.py:798]
{rank 0/64} MD step = 206800 step time: 00:00:00.329684 Performance: 27.429 ns/day 0.875 hours/ns 1.587 steps/s 2024-05-18 07:09:20,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206800 41360 90.279 -18921 9894.7 -28816 -28816 3.572 -0.38217 -1.8402 4.1469e+05 2024-05-18 07:09:56,005 INFO [main.py:798]
{rank 0/64} MD step = 206900 step time: 00:00:00.353327 Performance: 27.433 ns/day 0.875 hours/ns 1.588 steps/s 2024-05-18 07:10:01,459 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 90.051 -19035 9869.7 -28904 -28904 3.5696 -0.38594 -1.8413 4.1492e+05 2024-05-18 07:10:36,086 INFO [main.py:798]
{rank 0/64} MD step = 207000 step time: 00:00:00.345472 Performance: 27.438 ns/day 0.875 hours/ns 1.588 steps/s 2024-05-18 07:10:41,281 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 89.084 -19169 9763.8 -28933 -28933 3.5667 -0.38886 -1.8419 4.1508e+05 2024-05-18 07:11:16,206 INFO [main.py:798]
{rank 0/64} MD step = 207100 step time: 00:00:00.338326 Performance: 27.443 ns/day 0.875 hours/ns 1.588 steps/s 2024-05-18 07:11:25,088 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 89.5 -18917 9809.3 -28726 -28726 3.5656 -0.39092 -1.8401 4.1532e+05 2024-05-18 07:11:59,904 INFO [main.py:798]
{rank 0/64} MD step = 207200 step time: 00:00:00.343352 Performance: 27.447 ns/day 0.874 hours/ns 1.588 steps/s 2024-05-18 07:12:07,455 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 90.872 -18815 9959.7 -28775 -28775 3.5637 -0.39374 -1.84 4.1555e+05 2024-05-18 07:12:42,383 INFO [main.py:798]
{rank 0/64} MD step = 207300 step time: 00:00:00.346912 Performance: 27.451 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 07:12:49,033 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 91.39 -18868 10016 -28885 -28885 3.5612 -0.39433 -1.8395 4.1573e+05 2024-05-18 07:13:23,718 INFO [main.py:798]
{rank 0/64} MD step = 207400 step time: 00:00:00.350280 Performance: 27.456 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 07:13:30,103 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 89.587 -18970 9818.8 -28789 -28789 3.5595 -0.39678 -1.8384 4.1595e+05 2024-05-18 07:14:05,095 INFO [main.py:798]
{rank 0/64} MD step = 207500 step time: 00:00:00.380524 Performance: 27.460 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 07:14:10,683 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 90.987 -18904 9972.3 -28877 -28877 3.5588 -0.39739 -1.8388 4.1611e+05 2024-05-18 07:14:46,969 INFO [main.py:798]
{rank 0/64} MD step = 207600 step time: 00:00:00.367067 Performance: 27.465 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 07:14:53,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207600 41520 89.359 -18975 9793.9 -28769 -28769 3.5586 -0.39925 -1.8395 4.1637e+05 2024-05-18 07:15:29,788 INFO [main.py:798]
{rank 0/64} MD step = 207700 step time: 00:00:00.349652 Performance: 27.469 ns/day 0.874 hours/ns 1.590 steps/s 2024-05-18 07:15:35,954 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 89.966 -18962 9860.4 -28822 -28822 3.5574 -0.39797 -1.84 4.1653e+05 2024-05-18 07:16:11,035 INFO [main.py:798]
{rank 0/64} MD step = 207800 step time: 00:00:00.343759 Performance: 27.473 ns/day 0.874 hours/ns 1.590 steps/s 2024-05-18 07:16:16,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207800 41560 89.933 -19021 9856.8 -28878 -28878 3.5561 -0.39802 -1.8403 4.1673e+05 2024-05-18 07:16:50,929 INFO [main.py:798]
{rank 0/64} MD step = 207900 step time: 00:00:00.350123 Performance: 27.478 ns/day 0.873 hours/ns 1.590 steps/s 2024-05-18 07:16:58,321 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 91.003 -18939 9974 -28913 -28913 3.5554 -0.39808 -1.8373 4.1695e+05 2024-05-18 07:17:32,721 INFO [main.py:798]
{rank 0/64} MD step = 208000 step time: 00:00:00.347032 Performance: 27.483 ns/day 0.873 hours/ns 1.590 steps/s 2024-05-18 07:17:38,404 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 90.627 -19221 9932.8 -29153 -29153 3.5556 -0.39927 -1.8372 4.1708e+05 2024-05-18 07:18:13,438 INFO [main.py:798]
{rank 0/64} MD step = 208100 step time: 00:00:00.340371 Performance: 27.487 ns/day 0.873 hours/ns 1.591 steps/s 2024-05-18 07:18:18,742 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 87.51 -19476 9591.2 -29068 -29068 3.5525 -0.40096 -1.8388 4.1733e+05 2024-05-18 07:18:53,563 INFO [main.py:798]
{rank 0/64} MD step = 208200 step time: 00:00:00.376193 Performance: 27.492 ns/day 0.873 hours/ns 1.591 steps/s 2024-05-18 07:18:59,163 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 90.84 -18976 9956.2 -28932 -28932 3.5509 -0.40189 -1.8381 4.1755e+05 2024-05-18 07:19:33,455 INFO [main.py:798]
{rank 0/64} MD step = 208300 step time: 00:00:00.353535 Performance: 27.497 ns/day 0.873 hours/ns 1.591 steps/s 2024-05-18 07:19:39,712 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 91.659 -18960 10046 -29006 -29006 3.5511 -0.40151 -1.8373 4.1775e+05 2024-05-18 07:20:14,096 INFO [main.py:798]
{rank 0/64} MD step = 208400 step time: 00:00:00.340338 Performance: 27.502 ns/day 0.873 hours/ns 1.592 steps/s 2024-05-18 07:20:20,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208400 41680 89.091 -19250 9764.5 -29015 -29015 3.5492 -0.39991 -1.8384 4.1792e+05 2024-05-18 07:20:56,501 INFO [main.py:798]
{rank 0/64} MD step = 208500 step time: 00:00:00.359742 Performance: 27.506 ns/day 0.873 hours/ns 1.592 steps/s 2024-05-18 07:21:02,598 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 90.159 -18907 9881.5 -28788 -28788 3.5478 -0.40088 -1.8372 4.1815e+05 2024-05-18 07:21:36,872 INFO [main.py:798]
{rank 0/64} MD step = 208600 step time: 00:00:00.353325 Performance: 27.511 ns/day 0.872 hours/ns 1.592 steps/s 2024-05-18 07:21:46,547 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 90.678 -18806 9938.4 -28744 -28744 3.5467 -0.40149 -1.8383 4.1829e+05 2024-05-18 07:22:20,939 INFO [main.py:798]
{rank 0/64} MD step = 208700 step time: 00:00:00.349959 Performance: 27.515 ns/day 0.872 hours/ns 1.592 steps/s 2024-05-18 07:22:26,480 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 88.922 -19092 9745.9 -28838 -28838 3.5423 -0.4028 -1.8389 4.1844e+05 2024-05-18 07:23:02,176 INFO [main.py:798]
{rank 0/64} MD step = 208800 step time: 00:00:00.351598 Performance: 27.519 ns/day 0.872 hours/ns 1.593 steps/s 2024-05-18 07:23:07,963 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 89.362 -19157 9794.2 -28951 -28951 3.5396 -0.40379 -1.84 4.1862e+05 2024-05-18 07:23:42,905 INFO [main.py:798]
{rank 0/64} MD step = 208900 step time: 00:00:00.377496 Performance: 27.524 ns/day 0.872 hours/ns 1.593 steps/s 2024-05-18 07:23:49,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208900 41780 90.156 -18827 9881.3 -28708 -28708 3.5378 -0.40471 -1.8399 4.1885e+05 2024-05-18 07:24:24,639 INFO [main.py:798]
{rank 0/64} MD step = 209000 step time: 00:00:00.350356 Performance: 27.528 ns/day 0.872 hours/ns 1.593 steps/s 2024-05-18 07:24:30,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209000 41800 91.467 -18899 10025 -28924 -28924 3.5365 -0.40415 -1.841 4.1904e+05 2024-05-18 07:25:05,693 INFO [main.py:798]
{rank 0/64} MD step = 209100 step time: 00:00:00.354011 Performance: 27.533 ns/day 0.872 hours/ns 1.593 steps/s 2024-05-18 07:25:11,544 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 89.401 -19243 9798.5 -29041 -29041 3.5344 -0.40318 -1.8405 4.1924e+05 2024-05-18 07:25:46,602 INFO [main.py:798]
{rank 0/64} MD step = 209200 step time: 00:00:00.357957 Performance: 27.537 ns/day 0.872 hours/ns 1.594 steps/s 2024-05-18 07:25:52,210 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 90.02 -18872 9866.4 -28738 -28738 3.5305 -0.40204 -1.8399 4.1948e+05 2024-05-18 07:26:28,237 INFO [main.py:798]
{rank 0/64} MD step = 209300 step time: 00:00:00.374804 Performance: 27.542 ns/day 0.871 hours/ns 1.594 steps/s 2024-05-18 07:26:33,214 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 89.809 -19093 9843.1 -28936 -28936 3.5283 -0.40101 -1.8408 4.1961e+05 2024-05-18 07:27:07,980 INFO [main.py:798]
{rank 0/64} MD step = 209400 step time: 00:00:00.354338 Performance: 27.546 ns/day 0.871 hours/ns 1.594 steps/s 2024-05-18 07:27:13,953 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 91.321 -18835 10009 -28844 -28844 3.5287 -0.40193 -1.8392 4.1984e+05 2024-05-18 07:27:48,248 INFO [main.py:798]
{rank 0/64} MD step = 209500 step time: 00:00:00.343950 Performance: 27.551 ns/day 0.871 hours/ns 1.594 steps/s 2024-05-18 07:27:55,479 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 89.923 -19107 9855.7 -28963 -28963 3.526 -0.40216 -1.8386 4.2e+05 2024-05-18 07:28:30,158 INFO [main.py:798]
{rank 0/64} MD step = 209600 step time: 00:00:00.345052 Performance: 27.556 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 07:28:38,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209600 41920 90.736 -18992 9944.8 -28937 -28937 3.5255 -0.40231 -1.8364 4.2019e+05 2024-05-18 07:29:13,418 INFO [main.py:798]
{rank 0/64} MD step = 209700 step time: 00:00:00.349112 Performance: 27.560 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 07:29:19,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209700 41940 89.068 -19237 9762 -28999 -28999 3.5244 -0.40046 -1.8359 4.2037e+05 2024-05-18 07:29:53,899 INFO [main.py:798]
{rank 0/64} MD step = 209800 step time: 00:00:00.352787 Performance: 27.564 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 07:29:58,389 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 90.414 -19019 9909.5 -28928 -28928 3.523 -0.40035 -1.8343 4.2057e+05 2024-05-18 07:30:35,004 INFO [main.py:798]
{rank 0/64} MD step = 209900 step time: 00:00:00.377315 Performance: 27.569 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 07:30:40,031 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 90.37 -18948 9904.7 -28853 -28853 3.5208 -0.40122 -1.8325 4.2075e+05 2024-05-18 07:31:14,104 INFO [main.py:798]
{rank 0/64} MD step = 210000 step time: 00:00:00.345633 Performance: 27.574 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 07:31:29,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210000 42000 91.344 -18983 10011 -28995 -28995 3.5207 -0.40178 -1.8333 4.2092e+05 2024-05-18 07:32:04,537 INFO [main.py:798]
{rank 0/64} MD step = 210100 step time: 00:00:00.341634 Performance: 27.576 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 07:32:10,514 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 90.071 -19298 9871.9 -29170 -29170 3.5195 -0.40208 -1.8328 4.2113e+05 2024-05-18 07:32:45,364 INFO [main.py:798]
{rank 0/64} MD step = 210200 step time: 00:00:00.350207 Performance: 27.581 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 07:32:50,986 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 90.309 -19115 9898 -29013 -29013 3.5166 -0.40284 -1.8345 4.2132e+05 2024-05-18 07:33:26,656 INFO [main.py:798]
{rank 0/64} MD step = 210300 step time: 00:00:00.384941 Performance: 27.585 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 07:33:32,616 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 90.358 -19270 9903.4 -29174 -29174 3.5144 -0.40215 -1.8345 4.2156e+05 2024-05-18 07:34:09,221 INFO [main.py:798]
{rank 0/64} MD step = 210400 step time: 00:00:00.375284 Performance: 27.590 ns/day 0.870 hours/ns 1.597 steps/s 2024-05-18 07:34:14,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210400 42080 88.268 -19429 9674.3 -29103 -29103 3.5137 -0.40189 -1.8341 4.2172e+05 2024-05-18 07:34:49,310 INFO [main.py:798]
{rank 0/64} MD step = 210500 step time: 00:00:00.357973 Performance: 27.594 ns/day 0.870 hours/ns 1.597 steps/s 2024-05-18 07:35:04,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210500 42100 90.166 -19085 9882.3 -28967 -28967 3.5133 -0.40272 -1.8347 4.2195e+05 2024-05-18 07:35:42,431 INFO [main.py:798]
{rank 0/64} MD step = 210600 step time: 00:00:00.359801 Performance: 27.596 ns/day 0.870 hours/ns 1.597 steps/s 2024-05-18 07:35:49,248 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 90.481 -19001 9916.8 -28918 -28918 3.5125 -0.40294 -1.8345 4.2217e+05 2024-05-18 07:36:23,600 INFO [main.py:798]
{rank 0/64} MD step = 210700 step time: 00:00:00.361420 Performance: 27.601 ns/day 0.870 hours/ns 1.597 steps/s 2024-05-18 07:36:28,947 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 90.034 -19178 9867.8 -29046 -29046 3.5127 -0.40208 -1.8328 4.2238e+05 2024-05-18 07:37:06,780 INFO [main.py:798]
{rank 0/64} MD step = 210800 step time: 00:00:00.389514 Performance: 27.605 ns/day 0.869 hours/ns 1.598 steps/s 2024-05-18 07:37:18,152 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 89.014 -19335 9756.1 -29091 -29091 3.512 -0.40109 -1.833 4.2254e+05 2024-05-18 07:37:52,843 INFO [main.py:798]
{rank 0/64} MD step = 210900 step time: 00:00:00.352961 Performance: 27.608 ns/day 0.869 hours/ns 1.598 steps/s 2024-05-18 07:37:58,173 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 90.029 -19250 9867.3 -29117 -29117 3.5111 -0.40349 -1.8327 4.2279e+05 2024-05-18 07:38:33,280 INFO [main.py:798]
{rank 0/64} MD step = 211000 step time: 00:00:00.353909 Performance: 27.613 ns/day 0.869 hours/ns 1.598 steps/s 2024-05-18 07:38:43,245 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 89.74 -18915 9835.6 -28751 -28751 3.5093 -0.40407 -1.8327 4.23e+05 2024-05-18 07:39:18,181 INFO [main.py:798]
{rank 0/64} MD step = 211100 step time: 00:00:00.343623 Performance: 27.617 ns/day 0.869 hours/ns 1.598 steps/s 2024-05-18 07:39:24,071 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 91.31 -18951 10008 -28959 -28959 3.5083 -0.40208 -1.8319 4.232e+05 2024-05-18 07:40:00,855 INFO [main.py:798]
{rank 0/64} MD step = 211200 step time: 00:00:00.372032 Performance: 27.621 ns/day 0.869 hours/ns 1.598 steps/s 2024-05-18 07:40:07,385 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 90.013 -19093 9865.6 -28959 -28959 3.5067 -0.40131 -1.8332 4.2333e+05 2024-05-18 07:40:44,675 INFO [main.py:798]
{rank 0/64} MD step = 211300 step time: 00:00:00.377330 Performance: 27.625 ns/day 0.869 hours/ns 1.599 steps/s 2024-05-18 07:40:52,269 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 90.249 -19109 9891.5 -29000 -29000 3.5067 -0.40155 -1.8328 4.2351e+05 2024-05-18 07:41:27,804 INFO [main.py:798]
{rank 0/64} MD step = 211400 step time: 00:00:00.335162 Performance: 27.629 ns/day 0.869 hours/ns 1.599 steps/s 2024-05-18 07:41:34,570 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 89.528 -19471 9812.4 -29284 -29284 3.5057 -0.40008 -1.8324 4.2366e+05 2024-05-18 07:42:09,357 INFO [main.py:798]
{rank 0/64} MD step = 211500 step time: 00:00:00.333012 Performance: 27.633 ns/day 0.869 hours/ns 1.599 steps/s 2024-05-18 07:42:17,086 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 90.625 -19271 9932.6 -29203 -29203 3.5045 -0.40056 -1.8316 4.2388e+05 2024-05-18 07:42:51,709 INFO [main.py:798]
{rank 0/64} MD step = 211600 step time: 00:00:00.343820 Performance: 27.637 ns/day 0.868 hours/ns 1.599 steps/s 2024-05-18 07:42:57,897 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 89.77 -19259 9838.9 -29098 -29098 3.5037 -0.39995 -1.8311 4.2407e+05 2024-05-18 07:43:32,940 INFO [main.py:798]
{rank 0/64} MD step = 211700 step time: 00:00:00.337538 Performance: 27.642 ns/day 0.868 hours/ns 1.600 steps/s 2024-05-18 07:43:44,186 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 90.367 -19258 9904.4 -29163 -29163 3.5045 -0.39964 -1.8292 4.2425e+05 2024-05-18 07:44:18,764 INFO [main.py:798]
{rank 0/64} MD step = 211800 step time: 00:00:00.348633 Performance: 27.645 ns/day 0.868 hours/ns 1.600 steps/s 2024-05-18 07:44:26,491 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 90.717 -19259 9942.7 -29201 -29201 3.5051 -0.39962 -1.8293 4.2442e+05 2024-05-18 07:45:02,226 INFO [main.py:798]
{rank 0/64} MD step = 211900 step time: 00:00:00.364685 Performance: 27.649 ns/day 0.868 hours/ns 1.600 steps/s 2024-05-18 07:45:07,571 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 89.655 -19396 9826.3 -29222 -29222 3.5053 -0.39882 -1.8285 4.246e+05 2024-05-18 07:45:42,216 INFO [main.py:798]
{rank 0/64} MD step = 212000 step time: 00:00:00.350981 Performance: 27.654 ns/day 0.868 hours/ns 1.600 steps/s 2024-05-18 07:45:47,178 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 91.769 -19038 10058 -29096 -29096 3.5045 -0.39837 -1.8284 4.2483e+05 2024-05-18 07:46:21,909 INFO [main.py:798]
{rank 0/64} MD step = 212100 step time: 00:00:00.350000 Performance: 27.659 ns/day 0.868 hours/ns 1.601 steps/s 2024-05-18 07:46:27,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212100 42420 88.986 -19531 9753 -29284 -29284 3.5048 -0.39932 -1.8264 4.25e+05 2024-05-18 07:47:02,546 INFO [main.py:798]
{rank 0/64} MD step = 212200 step time: 00:00:00.371985 Performance: 27.663 ns/day 0.868 hours/ns 1.601 steps/s 2024-05-18 07:47:07,843 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 88.93 -19627 9746.8 -29374 -29374 3.504 -0.39846 -1.8258 4.2521e+05 2024-05-18 07:47:43,249 INFO [main.py:798]
{rank 0/64} MD step = 212300 step time: 00:00:00.334379 Performance: 27.668 ns/day 0.867 hours/ns 1.601 steps/s 2024-05-18 07:47:50,699 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 90.672 -19594 9937.8 -29532 -29532 3.5019 -0.39918 -1.8257 4.254e+05 2024-05-18 07:48:25,591 INFO [main.py:798]
{rank 0/64} MD step = 212400 step time: 00:00:00.361370 Performance: 27.672 ns/day 0.867 hours/ns 1.601 steps/s 2024-05-18 07:48:30,834 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 89.656 -19475 9826.4 -29301 -29301 3.5005 -0.39888 -1.8258 4.256e+05 2024-05-18 07:49:05,927 INFO [main.py:798]
{rank 0/64} MD step = 212500 step time: 00:00:00.381018 Performance: 27.677 ns/day 0.867 hours/ns 1.602 steps/s 2024-05-18 07:49:11,158 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 91.014 -19229 9975.2 -29205 -29205 3.4992 -0.398 -1.826 4.258e+05 2024-05-18 07:49:45,836 INFO [main.py:798]
{rank 0/64} MD step = 212600 step time: 00:00:00.349182 Performance: 27.681 ns/day 0.867 hours/ns 1.602 steps/s 2024-05-18 07:49:50,297 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 89.442 -19576 9802.9 -29379 -29379 3.4976 -0.39842 -1.8254 4.2596e+05 2024-05-18 07:50:25,750 INFO [main.py:798]
{rank 0/64} MD step = 212700 step time: 00:00:00.334412 Performance: 27.686 ns/day 0.867 hours/ns 1.602 steps/s 2024-05-18 07:50:31,650 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 89.504 -19335 9809.7 -29145 -29145 3.4944 -0.39838 -1.8264 4.2619e+05 2024-05-18 07:51:06,653 INFO [main.py:798]
{rank 0/64} MD step = 212800 step time: 00:00:00.335031 Performance: 27.690 ns/day 0.867 hours/ns 1.602 steps/s 2024-05-18 07:51:21,167 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 89.647 -19527 9825.4 -29353 -29353 3.4928 -0.3981 -1.8268 4.2639e+05 2024-05-18 07:51:55,547 INFO [main.py:798]
{rank 0/64} MD step = 212900 step time: 00:00:00.341943 Performance: 27.693 ns/day 0.867 hours/ns 1.603 steps/s 2024-05-18 07:52:17,061 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 89.449 -19367 9803.7 -29171 -29171 3.4932 -0.39911 -1.8278 4.2663e+05 2024-05-18 07:52:51,251 INFO [main.py:798]
{rank 0/64} MD step = 213000 step time: 00:00:00.342732 Performance: 27.695 ns/day 0.867 hours/ns 1.603 steps/s 2024-05-18 07:52:57,487 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 90.003 -19293 9864.5 -29158 -29158 3.4923 -0.40151 -1.828 4.2686e+05 2024-05-18 07:53:32,631 INFO [main.py:798]
{rank 0/64} MD step = 213100 step time: 00:00:00.349305 Performance: 27.699 ns/day 0.866 hours/ns 1.603 steps/s 2024-05-18 07:53:40,495 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 90.695 -19399 9940.2 -29339 -29339 3.4921 -0.40086 -1.8261 4.2702e+05 2024-05-18 07:54:15,805 INFO [main.py:798]
{rank 0/64} MD step = 213200 step time: 00:00:00.351167 Performance: 27.703 ns/day 0.866 hours/ns 1.603 steps/s 2024-05-18 07:54:21,976 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 89.346 -19432 9792.4 -29225 -29225 3.4927 -0.40063 -1.8244 4.2725e+05 2024-05-18 07:54:58,518 INFO [main.py:798]
{rank 0/64} MD step = 213300 step time: 00:00:00.378772 Performance: 27.707 ns/day 0.866 hours/ns 1.603 steps/s 2024-05-18 07:55:04,448 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 89.843 -19242 9846.9 -29089 -29089 3.4913 -0.39926 -1.8256 4.2748e+05 2024-05-18 07:55:40,563 INFO [main.py:798]
{rank 0/64} MD step = 213400 step time: 00:00:00.379109 Performance: 27.711 ns/day 0.866 hours/ns 1.604 steps/s 2024-05-18 07:55:44,243 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 91.595 -19176 10039 -29215 -29215 3.49 -0.39941 -1.8244 4.2765e+05 2024-05-18 07:56:20,025 INFO [main.py:798]
{rank 0/64} MD step = 213500 step time: 00:00:00.343847 Performance: 27.716 ns/day 0.866 hours/ns 1.604 steps/s 2024-05-18 07:56:25,093 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 90.939 -19101 9967.1 -29068 -29068 3.4892 -0.39859 -1.8257 4.279e+05 2024-05-18 07:57:00,199 INFO [main.py:798]
{rank 0/64} MD step = 213600 step time: 00:00:00.338822 Performance: 27.721 ns/day 0.866 hours/ns 1.604 steps/s 2024-05-18 07:57:10,325 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 90.14 -19207 9879.5 -29087 -29087 3.4884 -0.39751 -1.8249 4.2808e+05 2024-05-18 07:57:45,664 INFO [main.py:798]
{rank 0/64} MD step = 213700 step time: 00:00:00.376634 Performance: 27.724 ns/day 0.866 hours/ns 1.604 steps/s 2024-05-18 07:57:51,666 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 89.124 -19229 9768.1 -28997 -28997 3.488 -0.39755 -1.8234 4.2822e+05 2024-05-18 07:58:25,874 INFO [main.py:798]
{rank 0/64} MD step = 213800 step time: 00:00:00.355249 Performance: 27.729 ns/day 0.866 hours/ns 1.605 steps/s 2024-05-18 07:58:31,252 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 90.031 -19232 9867.5 -29100 -29100 3.4872 -0.39857 -1.8225 4.2844e+05 2024-05-18 07:59:06,079 INFO [main.py:798]
{rank 0/64} MD step = 213900 step time: 00:00:00.345593 Performance: 27.733 ns/day 0.865 hours/ns 1.605 steps/s 2024-05-18 07:59:11,708 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 88.586 -19229 9709.2 -28939 -28939 3.4869 -0.3985 -1.8236 4.2868e+05 2024-05-18 07:59:48,179 INFO [main.py:798]
{rank 0/64} MD step = 214000 step time: 00:00:00.344289 Performance: 27.738 ns/day 0.865 hours/ns 1.605 steps/s 2024-05-18 07:59:53,860 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 90.71 -19037 9941.9 -28979 -28979 3.487 -0.3977 -1.8236 4.2887e+05 2024-05-18 08:00:28,731 INFO [main.py:798]
{rank 0/64} MD step = 214100 step time: 00:00:00.381678 Performance: 27.742 ns/day 0.865 hours/ns 1.605 steps/s 2024-05-18 08:00:34,158 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 90.975 -18971 9971 -28942 -28942 3.4857 -0.39703 -1.8258 4.2911e+05 2024-05-18 08:01:08,847 INFO [main.py:798]
{rank 0/64} MD step = 214200 step time: 00:00:00.341978 Performance: 27.747 ns/day 0.865 hours/ns 1.606 steps/s 2024-05-18 08:01:14,365 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 89.99 -19092 9863 -28955 -28955 3.4849 -0.39724 -1.8259 4.2929e+05 2024-05-18 08:01:49,101 INFO [main.py:798]
{rank 0/64} MD step = 214300 step time: 00:00:00.344064 Performance: 27.751 ns/day 0.865 hours/ns 1.606 steps/s 2024-05-18 08:01:54,068 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 89.174 -19145 9773.5 -28918 -28918 3.4844 -0.39556 -1.8256 4.2949e+05 2024-05-18 08:02:29,295 INFO [main.py:798]
{rank 0/64} MD step = 214400 step time: 00:00:00.348068 Performance: 27.756 ns/day 0.865 hours/ns 1.606 steps/s 2024-05-18 08:02:34,499 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 90.712 -18785 9942.1 -28727 -28727 3.4842 -0.39477 -1.8263 4.2973e+05 2024-05-18 08:03:09,316 INFO [main.py:798]
{rank 0/64} MD step = 214500 step time: 00:00:00.354236 Performance: 27.761 ns/day 0.865 hours/ns 1.607 steps/s 2024-05-18 08:03:14,728 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 90.142 -19025 9879.6 -28905 -28905 3.4826 -0.39328 -1.8284 4.2993e+05 2024-05-18 08:03:48,933 INFO [main.py:798]
{rank 0/64} MD step = 214600 step time: 00:00:00.351994 Performance: 27.765 ns/day 0.864 hours/ns 1.607 steps/s 2024-05-18 08:03:54,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214600 42920 90.992 -18914 9972.8 -28887 -28887 3.4823 -0.39452 -1.8292 4.3006e+05 2024-05-18 08:04:28,575 INFO [main.py:798]
{rank 0/64} MD step = 214700 step time: 00:00:00.362769 Performance: 27.770 ns/day 0.864 hours/ns 1.607 steps/s 2024-05-18 08:04:32,128 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 90.778 -18928 9949.3 -28878 -28878 3.4817 -0.39461 -1.8284 4.3024e+05 2024-05-18 08:05:10,106 INFO [main.py:798]
{rank 0/64} MD step = 214800 step time: 00:00:00.378138 Performance: 27.774 ns/day 0.864 hours/ns 1.607 steps/s 2024-05-18 08:05:16,203 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 90.274 -18817 9894.1 -28711 -28711 3.4832 -0.39454 -1.8279 4.3045e+05 2024-05-18 08:05:52,748 INFO [main.py:798]
{rank 0/64} MD step = 214900 step time: 00:00:00.374950 Performance: 27.778 ns/day 0.864 hours/ns 1.608 steps/s 2024-05-18 08:05:58,266 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 90.233 -19154 9889.7 -29044 -29044 3.4831 -0.39341 -1.8292 4.3063e+05 2024-05-18 08:06:34,971 INFO [main.py:798]
{rank 0/64} MD step = 215000 step time: 00:00:00.368713 Performance: 27.783 ns/day 0.864 hours/ns 1.608 steps/s 2024-05-18 08:06:49,056 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 89.394 -19084 9797.7 -28882 -28882 3.4842 -0.39304 -1.8281 4.3085e+05 2024-05-18 08:07:24,219 INFO [main.py:798]
{rank 0/64} MD step = 215100 step time: 00:00:00.364047 Performance: 27.785 ns/day 0.864 hours/ns 1.608 steps/s 2024-05-18 08:07:30,346 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 89.281 -19082 9785.3 -28868 -28868 3.4846 -0.39316 -1.8273 4.3106e+05 2024-05-18 08:08:08,082 INFO [main.py:798]
{rank 0/64} MD step = 215200 step time: 00:00:00.342379 Performance: 27.789 ns/day 0.864 hours/ns 1.608 steps/s 2024-05-18 08:08:14,262 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 90.268 -19062 9893.5 -28956 -28956 3.4858 -0.3937 -1.8273 4.3123e+05 2024-05-18 08:08:49,099 INFO [main.py:798]
{rank 0/64} MD step = 215300 step time: 00:00:00.330200 Performance: 27.793 ns/day 0.864 hours/ns 1.608 steps/s 2024-05-18 08:08:55,983 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 90.333 -19171 9900.7 -29071 -29071 3.4864 -0.39201 -1.8264 4.3141e+05 2024-05-18 08:09:30,814 INFO [main.py:798]
{rank 0/64} MD step = 215400 step time: 00:00:00.335011 Performance: 27.798 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-18 08:09:37,374 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 90.944 -19245 9967.5 -29213 -29213 3.4864 -0.39201 -1.8235 4.3164e+05 2024-05-18 08:10:12,774 INFO [main.py:798]
{rank 0/64} MD step = 215500 step time: 00:00:00.336993 Performance: 27.802 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-18 08:10:21,454 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 89.06 -19281 9761.1 -29042 -29042 3.4856 -0.3931 -1.8237 4.3183e+05 2024-05-18 08:10:58,294 INFO [main.py:798]
{rank 0/64} MD step = 215600 step time: 00:00:00.338992 Performance: 27.805 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-18 08:11:06,092 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 90.688 -18969 9939.5 -28909 -28909 3.4868 -0.39328 -1.8228 4.3207e+05 2024-05-18 08:11:41,363 INFO [main.py:798]
{rank 0/64} MD step = 215700 step time: 00:00:00.342664 Performance: 27.809 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-18 08:11:46,938 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 90.444 -19378 9912.8 -29290 -29290 3.4876 -0.39309 -1.8218 4.3227e+05 2024-05-18 08:12:21,752 INFO [main.py:798]
{rank 0/64} MD step = 215800 step time: 00:00:00.333059 Performance: 27.814 ns/day 0.863 hours/ns 1.610 steps/s 2024-05-18 08:12:26,525 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 90.283 -19274 9895.2 -29169 -29169 3.4876 -0.3925 -1.8198 4.3253e+05 2024-05-18 08:13:01,201 INFO [main.py:798]
{rank 0/64} MD step = 215900 step time: 00:00:00.331537 Performance: 27.818 ns/day 0.863 hours/ns 1.610 steps/s 2024-05-18 08:13:06,340 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 89.397 -19358 9798 -29156 -29156 3.4886 -0.39216 -1.8201 4.3268e+05 2024-05-18 08:13:41,355 INFO [main.py:798]
{rank 0/64} MD step = 216000 step time: 00:00:00.332017 Performance: 27.823 ns/day 0.863 hours/ns 1.610 steps/s 2024-05-18 08:13:46,521 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 89.945 -19079 9858.1 -28937 -28937 3.488 -0.3908 -1.8175 4.3293e+05 2024-05-18 08:14:20,996 INFO [main.py:798]
{rank 0/64} MD step = 216100 step time: 00:00:00.329345 Performance: 27.828 ns/day 0.862 hours/ns 1.610 steps/s 2024-05-18 08:14:26,039 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 89.056 -18980 9760.6 -28740 -28740 3.4882 -0.3904 -1.8159 4.3311e+05 2024-05-18 08:15:01,358 INFO [main.py:798]
{rank 0/64} MD step = 216200 step time: 00:00:00.332480 Performance: 27.832 ns/day 0.862 hours/ns 1.611 steps/s 2024-05-18 08:15:10,129 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 91.048 -18870 9978.9 -28849 -28849 3.4879 -0.39023 -1.815 4.3331e+05 2024-05-18 08:15:46,832 INFO [main.py:798]
{rank 0/64} MD step = 216300 step time: 00:00:00.347477 Performance: 27.836 ns/day 0.862 hours/ns 1.611 steps/s 2024-05-18 08:15:52,329 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 90.495 -18787 9918.4 -28705 -28705 3.4876 -0.38906 -1.8146 4.3352e+05 2024-05-18 08:16:29,606 INFO [main.py:798]
{rank 0/64} MD step = 216400 step time: 00:00:00.329892 Performance: 27.840 ns/day 0.862 hours/ns 1.611 steps/s 2024-05-18 08:16:35,240 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 90.396 -19067 9907.5 -28974 -28974 3.4872 -0.38901 -1.815 4.3368e+05 2024-05-18 08:17:10,340 INFO [main.py:798]
{rank 0/64} MD step = 216500 step time: 00:00:00.332463 Performance: 27.844 ns/day 0.862 hours/ns 1.611 steps/s 2024-05-18 08:17:15,587 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 89.042 -19094 9759.2 -28853 -28853 3.4867 -0.39045 -1.8148 4.3395e+05 2024-05-18 08:17:49,965 INFO [main.py:798]
{rank 0/64} MD step = 216600 step time: 00:00:00.342606 Performance: 27.849 ns/day 0.862 hours/ns 1.612 steps/s 2024-05-18 08:17:55,613 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 90.013 -19181 9865.5 -29047 -29047 3.4872 -0.38991 -1.8144 4.3413e+05 2024-05-18 08:18:30,635 INFO [main.py:798]
{rank 0/64} MD step = 216700 step time: 00:00:00.332113 Performance: 27.853 ns/day 0.862 hours/ns 1.612 steps/s 2024-05-18 08:18:35,913 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 91.391 -18748 10017 -28765 -28765 3.4868 -0.38743 -1.8135 4.3432e+05 2024-05-18 08:19:11,395 INFO [main.py:798]
{rank 0/64} MD step = 216800 step time: 00:00:00.326590 Performance: 27.858 ns/day 0.862 hours/ns 1.612 steps/s 2024-05-18 08:19:18,098 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 88.901 -19062 9743.6 -28806 -28806 3.4885 -0.38664 -1.8133 4.3451e+05 2024-05-18 08:19:53,050 INFO [main.py:798]
{rank 0/64} MD step = 216900 step time: 00:00:00.332325 Performance: 27.862 ns/day 0.861 hours/ns 1.612 steps/s 2024-05-18 08:20:11,074 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 90.98 -18827 9971.5 -28799 -28799 3.4896 -0.38479 -1.8124 4.347e+05 2024-05-18 08:20:46,303 INFO [main.py:798]
{rank 0/64} MD step = 217000 step time: 00:00:00.353689 Performance: 27.864 ns/day 0.861 hours/ns 1.612 steps/s 2024-05-18 08:21:00,582 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 90.589 -19036 9928.6 -28965 -28965 3.489 -0.38553 -1.8116 4.3494e+05 2024-05-18 08:21:35,238 INFO [main.py:798]
{rank 0/64} MD step = 217100 step time: 00:00:00.345528 Performance: 27.866 ns/day 0.861 hours/ns 1.613 steps/s 2024-05-18 08:21:43,958 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 90.831 -18745 9955.2 -28701 -28701 3.4879 -0.3835 -1.8106 4.3511e+05 2024-05-18 08:22:18,778 INFO [main.py:798]
{rank 0/64} MD step = 217200 step time: 00:00:00.346974 Performance: 27.870 ns/day 0.861 hours/ns 1.613 steps/s 2024-05-18 08:22:30,166 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 90.589 -18887 9928.6 -28816 -28816 3.4882 -0.38273 -1.8097 4.3532e+05 2024-05-18 08:23:05,112 INFO [main.py:798]
{rank 0/64} MD step = 217300 step time: 00:00:00.341460 Performance: 27.873 ns/day 0.861 hours/ns 1.613 steps/s 2024-05-18 08:23:18,507 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 89.893 -18926 9852.4 -28779 -28779 3.4895 -0.3812 -1.8088 4.3554e+05 2024-05-18 08:23:53,123 INFO [main.py:798]
{rank 0/64} MD step = 217400 step time: 00:00:00.352457 Performance: 27.876 ns/day 0.861 hours/ns 1.613 steps/s 2024-05-18 08:23:59,288 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 89.362 -18970 9794.1 -28764 -28764 3.4895 -0.37971 -1.8086 4.3574e+05 2024-05-18 08:24:33,816 INFO [main.py:798]
{rank 0/64} MD step = 217500 step time: 00:00:00.343483 Performance: 27.881 ns/day 0.861 hours/ns 1.613 steps/s 2024-05-18 08:24:40,696 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 90.994 -19001 9973 -28974 -28974 3.4911 -0.38063 -1.808 4.3592e+05 2024-05-18 08:25:16,316 INFO [main.py:798]
{rank 0/64} MD step = 217600 step time: 00:00:00.342093 Performance: 27.885 ns/day 0.861 hours/ns 1.614 steps/s 2024-05-18 08:25:21,819 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 91.452 -18961 10023 -28984 -28984 3.4903 -0.38035 -1.8068 4.3609e+05 2024-05-18 08:25:57,316 INFO [main.py:798]
{rank 0/64} MD step = 217700 step time: 00:00:00.361842 Performance: 27.889 ns/day 0.861 hours/ns 1.614 steps/s 2024-05-18 08:26:02,618 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 91.24 -18696 10000 -28696 -28696 3.4919 -0.38044 -1.8059 4.3635e+05 2024-05-18 08:26:38,134 INFO [main.py:798]
{rank 0/64} MD step = 217800 step time: 00:00:00.375291 Performance: 27.893 ns/day 0.860 hours/ns 1.614 steps/s 2024-05-18 08:26:43,880 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 89.926 -19048 9856.1 -28904 -28904 3.4916 -0.38002 -1.8065 4.3655e+05 2024-05-18 08:27:18,544 INFO [main.py:798]
{rank 0/64} MD step = 217900 step time: 00:00:00.353343 Performance: 27.898 ns/day 0.860 hours/ns 1.614 steps/s 2024-05-18 08:27:24,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217900 43580 89.501 -18927 9809.4 -28737 -28737 3.4931 -0.37831 -1.8061 4.368e+05 2024-05-18 08:27:58,878 INFO [main.py:798]
{rank 0/64} MD step = 218000 step time: 00:00:00.349488 Performance: 27.902 ns/day 0.860 hours/ns 1.615 steps/s 2024-05-18 08:28:04,596 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 90.999 -18652 9973.6 -28626 -28626 3.4933 -0.37764 -1.805 4.3699e+05 2024-05-18 08:28:39,305 INFO [main.py:798]
{rank 0/64} MD step = 218100 step time: 00:00:00.351942 Performance: 27.907 ns/day 0.860 hours/ns 1.615 steps/s 2024-05-18 08:28:45,069 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 90.116 -18938 9876.8 -28814 -28814 3.4927 -0.37665 -1.8044 4.3717e+05 2024-05-18 08:29:20,025 INFO [main.py:798]
{rank 0/64} MD step = 218200 step time: 00:00:00.353850 Performance: 27.911 ns/day 0.860 hours/ns 1.615 steps/s 2024-05-18 08:29:27,271 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 89.589 -19074 9819.1 -28893 -28893 3.4943 -0.37572 -1.8016 4.3734e+05 2024-05-18 08:30:01,967 INFO [main.py:798]
{rank 0/64} MD step = 218300 step time: 00:00:00.355034 Performance: 27.915 ns/day 0.860 hours/ns 1.615 steps/s 2024-05-18 08:30:08,787 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 89.789 -18871 9841 -28712 -28712 3.4942 -0.37429 -1.8015 4.3764e+05 2024-05-18 08:30:43,506 INFO [main.py:798]
{rank 0/64} MD step = 218400 step time: 00:00:00.378595 Performance: 27.919 ns/day 0.860 hours/ns 1.616 steps/s 2024-05-18 08:30:49,610 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 90.317 -18948 9898.9 -28847 -28847 3.4949 -0.37457 -1.7982 4.3778e+05 2024-05-18 08:31:24,179 INFO [main.py:798]
{rank 0/64} MD step = 218500 step time: 00:00:00.347538 Performance: 27.924 ns/day 0.859 hours/ns 1.616 steps/s 2024-05-18 08:31:30,582 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 91.388 -19132 10016 -29148 -29148 3.4942 -0.37619 -1.7964 4.3795e+05 2024-05-18 08:32:04,692 INFO [main.py:798]
{rank 0/64} MD step = 218600 step time: 00:00:00.366226 Performance: 27.928 ns/day 0.859 hours/ns 1.616 steps/s 2024-05-18 08:32:09,803 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 91.814 -18721 10063 -28784 -28784 3.495 -0.37494 -1.7956 4.3819e+05 2024-05-18 08:32:45,646 INFO [main.py:798]
{rank 0/64} MD step = 218700 step time: 00:00:00.356348 Performance: 27.933 ns/day 0.859 hours/ns 1.616 steps/s 2024-05-18 08:32:52,402 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 90.099 -18886 9874.9 -28761 -28761 3.4941 -0.37534 -1.794 4.3839e+05 2024-05-18 08:33:26,337 INFO [main.py:798]
{rank 0/64} MD step = 218800 step time: 00:00:00.327555 Performance: 27.937 ns/day 0.859 hours/ns 1.617 steps/s 2024-05-18 08:33:31,539 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 91.572 -18762 10036 -28799 -28799 3.4961 -0.37534 -1.7921 4.3859e+05 2024-05-18 08:34:06,452 INFO [main.py:798]
{rank 0/64} MD step = 218900 step time: 00:00:00.327676 Performance: 27.941 ns/day 0.859 hours/ns 1.617 steps/s 2024-05-18 08:34:11,946 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 89.679 -18971 9828.9 -28800 -28800 3.4971 -0.37442 -1.7915 4.3875e+05 2024-05-18 08:34:46,848 INFO [main.py:798]
{rank 0/64} MD step = 219000 step time: 00:00:00.336451 Performance: 27.946 ns/day 0.859 hours/ns 1.617 steps/s 2024-05-18 08:34:55,114 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 90.108 -19082 9875.9 -28958 -28958 3.4989 -0.37433 -1.7895 4.3897e+05 2024-05-18 08:35:29,455 INFO [main.py:798]
{rank 0/64} MD step = 219100 step time: 00:00:00.327348 Performance: 27.950 ns/day 0.859 hours/ns 1.617 steps/s 2024-05-18 08:35:37,138 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 89.174 -19110 9773.5 -28884 -28884 3.4994 -0.3745 -1.7878 4.3918e+05 2024-05-18 08:36:12,370 INFO [main.py:798]
{rank 0/64} MD step = 219200 step time: 00:00:00.353334 Performance: 27.954 ns/day 0.859 hours/ns 1.618 steps/s 2024-05-18 08:36:17,967 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 90.116 -19052 9876.9 -28929 -28929 3.4991 -0.37314 -1.7892 4.3945e+05 2024-05-18 08:36:52,850 INFO [main.py:798]
{rank 0/64} MD step = 219300 step time: 00:00:00.347434 Performance: 27.958 ns/day 0.858 hours/ns 1.618 steps/s 2024-05-18 08:36:58,358 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 89.656 -18953 9826.4 -28779 -28779 3.5007 -0.37196 -1.788 4.3966e+05 2024-05-18 08:37:32,669 INFO [main.py:798]
{rank 0/64} MD step = 219400 step time: 00:00:00.350622 Performance: 27.963 ns/day 0.858 hours/ns 1.618 steps/s 2024-05-18 08:37:50,167 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 90.036 -19065 9868 -28933 -28933 3.5022 -0.37278 -1.7871 4.3987e+05 2024-05-18 08:38:25,666 INFO [main.py:798]
{rank 0/64} MD step = 219500 step time: 00:00:00.372315 Performance: 27.964 ns/day 0.858 hours/ns 1.618 steps/s 2024-05-18 08:38:31,821 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 89.403 -19252 9798.7 -29050 -29050 3.5041 -0.3719 -1.7856 4.4003e+05 2024-05-18 08:39:06,010 INFO [main.py:798]
{rank 0/64} MD step = 219600 step time: 00:00:00.350839 Performance: 27.969 ns/day 0.858 hours/ns 1.619 steps/s 2024-05-18 08:39:12,195 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 91.076 -19099 9982 -29081 -29081 3.506 -0.37085 -1.7841 4.4023e+05 2024-05-18 08:39:46,425 INFO [main.py:798]
{rank 0/64} MD step = 219700 step time: 00:00:00.343592 Performance: 27.973 ns/day 0.858 hours/ns 1.619 steps/s 2024-05-18 08:39:52,166 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 89.448 -19385 9803.6 -29188 -29188 3.5045 -0.37109 -1.7816 4.4038e+05 2024-05-18 08:40:27,090 INFO [main.py:798]
{rank 0/64} MD step = 219800 step time: 00:00:00.357853 Performance: 27.978 ns/day 0.858 hours/ns 1.619 steps/s 2024-05-18 08:40:33,039 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 89.899 -19127 9853 -28980 -28980 3.5055 -0.37087 -1.7824 4.4065e+05 2024-05-18 08:41:07,911 INFO [main.py:798]
{rank 0/64} MD step = 219900 step time: 00:00:00.359652 Performance: 27.982 ns/day 0.858 hours/ns 1.619 steps/s 2024-05-18 08:41:14,572 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 89.054 -19309 9760.4 -29070 -29070 3.5069 -0.3713 -1.7822 4.4084e+05 2024-05-18 08:41:49,455 INFO [main.py:798]
{rank 0/64} MD step = 220000 step time: 00:00:00.369437 Performance: 27.986 ns/day 0.858 hours/ns 1.620 steps/s 2024-05-18 08:41:54,638 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 91.323 -19218 10009 -29227 -29227 3.509 -0.36939 -1.782 4.4105e+05 2024-05-18 08:42:29,568 INFO [main.py:798]
{rank 0/64} MD step = 220100 step time: 00:00:00.356362 Performance: 27.991 ns/day 0.857 hours/ns 1.620 steps/s 2024-05-18 08:42:34,479 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 90.676 -18998 9938.2 -28936 -28936 3.5109 -0.36874 -1.7819 4.4126e+05 2024-05-18 08:43:09,390 INFO [main.py:798]
{rank 0/64} MD step = 220200 step time: 00:00:00.345006 Performance: 27.995 ns/day 0.857 hours/ns 1.620 steps/s 2024-05-18 08:43:15,650 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 88.922 -19374 9746 -29120 -29120 3.5112 -0.36814 -1.7811 4.4146e+05 2024-05-18 08:43:51,060 INFO [main.py:798]
{rank 0/64} MD step = 220300 step time: 00:00:00.350990 Performance: 27.999 ns/day 0.857 hours/ns 1.620 steps/s 2024-05-18 08:43:56,219 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 90.072 -19124 9872 -28996 -28996 3.5111 -0.36627 -1.7791 4.4166e+05 2024-05-18 08:44:31,746 INFO [main.py:798]
{rank 0/64} MD step = 220400 step time: 00:00:00.349742 Performance: 28.004 ns/day 0.857 hours/ns 1.621 steps/s 2024-05-18 08:44:37,017 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 90.604 -18971 9930.3 -28902 -28902 3.5103 -0.3652 -1.7786 4.4186e+05 2024-05-18 08:45:11,642 INFO [main.py:798]
{rank 0/64} MD step = 220500 step time: 00:00:00.360322 Performance: 28.008 ns/day 0.857 hours/ns 1.621 steps/s 2024-05-18 08:45:19,829 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 90.174 -19166 9883.2 -29050 -29050 3.5127 -0.36406 -1.7772 4.4208e+05 2024-05-18 08:45:54,274 INFO [main.py:798]
{rank 0/64} MD step = 220600 step time: 00:00:00.338377 Performance: 28.012 ns/day 0.857 hours/ns 1.621 steps/s 2024-05-18 08:45:59,969 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 90.585 -19255 9928.3 -29183 -29183 3.5129 -0.36333 -1.7755 4.4225e+05 2024-05-18 08:46:35,860 INFO [main.py:798]
{rank 0/64} MD step = 220700 step time: 00:00:00.347827 Performance: 28.016 ns/day 0.857 hours/ns 1.621 steps/s 2024-05-18 08:46:42,206 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 90.001 -19213 9864.3 -29077 -29077 3.5133 -0.36288 -1.7744 4.4245e+05 2024-05-18 08:47:16,799 INFO [main.py:798]
{rank 0/64} MD step = 220800 step time: 00:00:00.377767 Performance: 28.020 ns/day 0.857 hours/ns 1.622 steps/s 2024-05-18 08:47:22,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220800 44160 88.594 -19346 9710.1 -29056 -29056 3.5158 -0.36177 -1.7737 4.4265e+05 2024-05-18 08:47:58,310 INFO [main.py:798]
{rank 0/64} MD step = 220900 step time: 00:00:00.421761 Performance: 28.024 ns/day 0.856 hours/ns 1.622 steps/s 2024-05-18 08:48:03,957 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 90.08 -19152 9872.9 -29025 -29025 3.5167 -0.36168 -1.7725 4.4283e+05 2024-05-18 08:48:38,986 INFO [main.py:798]
{rank 0/64} MD step = 221000 step time: 00:00:00.348308 Performance: 28.029 ns/day 0.856 hours/ns 1.622 steps/s 2024-05-18 08:48:44,732 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 89.649 -19336 9825.6 -29161 -29161 3.518 -0.36042 -1.7718 4.4299e+05 2024-05-18 08:49:19,421 INFO [main.py:798]
{rank 0/64} MD step = 221100 step time: 00:00:00.354208 Performance: 28.033 ns/day 0.856 hours/ns 1.622 steps/s 2024-05-18 08:49:23,649 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 88.521 -19287 9702 -28989 -28989 3.5193 -0.35998 -1.7708 4.4324e+05 2024-05-18 08:50:00,235 INFO [main.py:798]
{rank 0/64} MD step = 221200 step time: 00:00:00.343286 Performance: 28.037 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-18 08:50:16,380 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 89.422 -19370 9800.7 -29171 -29171 3.5189 -0.35998 -1.7706 4.4346e+05 2024-05-18 08:50:51,395 INFO [main.py:798]
{rank 0/64} MD step = 221300 step time: 00:00:00.359444 Performance: 28.040 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-18 08:50:56,171 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 89.685 -19367 9829.6 -29197 -29197 3.5185 -0.36071 -1.7693 4.4364e+05 2024-05-18 08:51:30,760 INFO [main.py:798]
{rank 0/64} MD step = 221400 step time: 00:00:00.350480 Performance: 28.044 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-18 08:51:37,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221400 44280 90.414 -19125 9909.5 -29034 -29034 3.5209 -0.35939 -1.7684 4.4387e+05 2024-05-18 08:52:11,259 INFO [main.py:798]
{rank 0/64} MD step = 221500 step time: 00:00:00.338796 Performance: 28.049 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-18 08:52:14,860 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 89.091 -19233 9764.5 -28998 -28998 3.5214 -0.35869 -1.7677 4.4408e+05 2024-05-18 08:52:50,752 INFO [main.py:798]
{rank 0/64} MD step = 221600 step time: 00:00:00.363016 Performance: 28.053 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-18 08:52:56,766 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 89.761 -19183 9837.9 -29020 -29020 3.5223 -0.35764 -1.7675 4.4434e+05 2024-05-18 08:53:31,080 INFO [main.py:798]
{rank 0/64} MD step = 221700 step time: 00:00:00.350683 Performance: 28.057 ns/day 0.855 hours/ns 1.624 steps/s 2024-05-18 08:53:36,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221700 44340 89.302 -19438 9787.6 -29226 -29226 3.5234 -0.358 -1.7675 4.4452e+05 2024-05-18 08:54:11,096 INFO [main.py:798]
{rank 0/64} MD step = 221800 step time: 00:00:00.354682 Performance: 28.062 ns/day 0.855 hours/ns 1.624 steps/s 2024-05-18 08:54:20,656 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 90.966 -19291 9970 -29261 -29261 3.5244 -0.35637 -1.7677 4.4472e+05 2024-05-18 08:54:55,241 INFO [main.py:798]
{rank 0/64} MD step = 221900 step time: 00:00:00.342802 Performance: 28.065 ns/day 0.855 hours/ns 1.624 steps/s 2024-05-18 08:55:00,283 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 90.477 -19389 9916.4 -29305 -29305 3.5236 -0.35539 -1.7665 4.4491e+05 2024-05-18 08:55:35,059 INFO [main.py:798]
{rank 0/64} MD step = 222000 step time: 00:00:00.365864 Performance: 28.070 ns/day 0.855 hours/ns 1.624 steps/s 2024-05-18 08:55:40,612 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 90.546 -19078 9924 -29002 -29002 3.5241 -0.35224 -1.764 4.4516e+05 2024-05-18 08:56:15,887 INFO [main.py:798]
{rank 0/64} MD step = 222100 step time: 00:00:00.352244 Performance: 28.074 ns/day 0.855 hours/ns 1.625 steps/s 2024-05-18 08:56:20,755 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 90.307 -19318 9897.7 -29216 -29216 3.5249 -0.35065 -1.7623 4.4532e+05 2024-05-18 08:56:55,471 INFO [main.py:798]
{rank 0/64} MD step = 222200 step time: 00:00:00.353603 Performance: 28.079 ns/day 0.855 hours/ns 1.625 steps/s 2024-05-18 08:57:00,804 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 89.993 -19058 9863.3 -28921 -28921 3.5252 -0.35025 -1.762 4.4556e+05 2024-05-18 08:57:35,979 INFO [main.py:798]
{rank 0/64} MD step = 222300 step time: 00:00:00.354137 Performance: 28.083 ns/day 0.855 hours/ns 1.625 steps/s 2024-05-18 08:57:39,454 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 89.522 -19135 9811.7 -28946 -28946 3.5269 -0.34905 -1.7588 4.4574e+05 2024-05-18 08:58:15,167 INFO [main.py:798]
{rank 0/64} MD step = 222400 step time: 00:00:00.348490 Performance: 28.088 ns/day 0.854 hours/ns 1.625 steps/s 2024-05-18 08:58:20,569 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 90.5 -19295 9918.9 -29213 -29213 3.5262 -0.34848 -1.7568 4.4591e+05 2024-05-18 08:58:55,630 INFO [main.py:798]
{rank 0/64} MD step = 222500 step time: 00:00:00.359180 Performance: 28.092 ns/day 0.854 hours/ns 1.626 steps/s 2024-05-18 08:59:01,203 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 89.791 -19469 9841.2 -29310 -29310 3.5266 -0.34806 -1.7576 4.4615e+05 2024-05-18 08:59:35,870 INFO [main.py:798]
{rank 0/64} MD step = 222600 step time: 00:00:00.353840 Performance: 28.096 ns/day 0.854 hours/ns 1.626 steps/s 2024-05-18 08:59:42,170 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 89.427 -19168 9801.3 -28970 -28970 3.5258 -0.34718 -1.7583 4.4641e+05 2024-05-18 09:00:16,748 INFO [main.py:798]
{rank 0/64} MD step = 222700 step time: 00:00:00.377783 Performance: 28.101 ns/day 0.854 hours/ns 1.626 steps/s 2024-05-18 09:00:22,236 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 90.581 -18980 9927.8 -28908 -28908 3.5251 -0.34645 -1.7571 4.4658e+05 2024-05-18 09:00:56,906 INFO [main.py:798]
{rank 0/64} MD step = 222800 step time: 00:00:00.365381 Performance: 28.105 ns/day 0.854 hours/ns 1.626 steps/s 2024-05-18 09:01:00,826 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 89.648 -19162 9825.6 -28987 -28987 3.5252 -0.34606 -1.7569 4.4677e+05 2024-05-18 09:01:37,054 INFO [main.py:798]
{rank 0/64} MD step = 222900 step time: 00:00:00.344258 Performance: 28.109 ns/day 0.854 hours/ns 1.627 steps/s 2024-05-18 09:01:42,071 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 90.341 -19038 9901.5 -28940 -28940 3.5266 -0.34621 -1.7572 4.4695e+05 2024-05-18 09:02:16,637 INFO [main.py:798]
{rank 0/64} MD step = 223000 step time: 00:00:00.358532 Performance: 28.114 ns/day 0.854 hours/ns 1.627 steps/s 2024-05-18 09:02:23,714 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 88.613 -19172 9712.1 -28884 -28884 3.5283 -0.34715 -1.7572 4.4715e+05 2024-05-18 09:02:57,650 INFO [main.py:798]
{rank 0/64} MD step = 223100 step time: 00:00:00.356255 Performance: 28.118 ns/day 0.854 hours/ns 1.627 steps/s 2024-05-18 09:03:02,798 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 90.027 -19082 9867 -28949 -28949 3.5292 -0.34625 -1.7561 4.4736e+05 2024-05-18 09:03:37,180 INFO [main.py:798]
{rank 0/64} MD step = 223200 step time: 00:00:00.342001 Performance: 28.122 ns/day 0.853 hours/ns 1.627 steps/s 2024-05-18 09:03:42,940 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 88.538 -19099 9703.9 -28802 -28802 3.5297 -0.34524 -1.7565 4.4755e+05 2024-05-18 09:04:17,444 INFO [main.py:798]
{rank 0/64} MD step = 223300 step time: 00:00:00.351251 Performance: 28.127 ns/day 0.853 hours/ns 1.628 steps/s 2024-05-18 09:04:21,620 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 90.201 -19022 9886.2 -28908 -28908 3.5277 -0.34602 -1.7552 4.4775e+05 2024-05-18 09:04:57,400 INFO [main.py:798]
{rank 0/64} MD step = 223400 step time: 00:00:00.350500 Performance: 28.131 ns/day 0.853 hours/ns 1.628 steps/s 2024-05-18 09:05:02,073 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 90.693 -18826 9940 -28767 -28767 3.5279 -0.34699 -1.7529 4.4798e+05 2024-05-18 09:05:36,761 INFO [main.py:798]
{rank 0/64} MD step = 223500 step time: 00:00:00.380877 Performance: 28.136 ns/day 0.853 hours/ns 1.628 steps/s 2024-05-18 09:05:58,498 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 90.012 -19038 9865.4 -28903 -28903 3.5276 -0.34551 -1.7525 4.4819e+05 2024-05-18 09:06:33,092 INFO [main.py:798]
{rank 0/64} MD step = 223600 step time: 00:00:00.349469 Performance: 28.137 ns/day 0.853 hours/ns 1.628 steps/s 2024-05-18 09:06:39,618 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 88.776 -18846 9729.9 -28575 -28575 3.527 -0.34594 -1.7516 4.4839e+05 2024-05-18 09:07:14,510 INFO [main.py:798]
{rank 0/64} MD step = 223700 step time: 00:00:00.332056 Performance: 28.141 ns/day 0.853 hours/ns 1.629 steps/s 2024-05-18 09:07:21,611 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 91.185 -18911 9994 -28905 -28905 3.5263 -0.34596 -1.75 4.486e+05 2024-05-18 09:07:58,249 INFO [main.py:798]
{rank 0/64} MD step = 223800 step time: 00:00:00.376443 Performance: 28.144 ns/day 0.853 hours/ns 1.629 steps/s 2024-05-18 09:08:03,573 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 90.788 -19062 9950.4 -29013 -29013 3.5283 -0.34549 -1.7498 4.4877e+05 2024-05-18 09:08:37,943 INFO [main.py:798]
{rank 0/64} MD step = 223900 step time: 00:00:00.356136 Performance: 28.149 ns/day 0.853 hours/ns 1.629 steps/s 2024-05-18 09:08:44,252 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 90.316 -18813 9898.8 -28712 -28712 3.5298 -0.3445 -1.7507 4.4893e+05 2024-05-18 09:09:18,866 INFO [main.py:798]
{rank 0/64} MD step = 224000 step time: 00:00:00.374519 Performance: 28.153 ns/day 0.852 hours/ns 1.629 steps/s 2024-05-18 09:09:23,934 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 90.539 -18913 9923.2 -28836 -28836 3.5303 -0.34387 -1.7498 4.4913e+05 2024-05-18 09:09:58,915 INFO [main.py:798]
{rank 0/64} MD step = 224100 step time: 00:00:00.344206 Performance: 28.157 ns/day 0.852 hours/ns 1.629 steps/s 2024-05-18 09:10:05,552 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 91.235 -18845 9999.5 -28845 -28845 3.5309 -0.34364 -1.7489 4.4939e+05 2024-05-18 09:10:41,710 INFO [main.py:798]
{rank 0/64} MD step = 224200 step time: 00:00:00.379846 Performance: 28.161 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-18 09:10:46,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224200 44840 90.322 -19102 9899.4 -29001 -29001 3.5316 -0.34375 -1.7491 4.4959e+05 2024-05-18 09:11:21,087 INFO [main.py:798]
{rank 0/64} MD step = 224300 step time: 00:00:00.338575 Performance: 28.166 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-18 09:11:28,745 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 91.403 -18932 10018 -28950 -28950 3.5329 -0.34341 -1.7502 4.4981e+05 2024-05-18 09:12:03,465 INFO [main.py:798]
{rank 0/64} MD step = 224400 step time: 00:00:00.354592 Performance: 28.170 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-18 09:12:08,739 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 88.132 -19256 9659.4 -28916 -28916 3.5329 -0.342 -1.7486 4.5e+05 2024-05-18 09:12:43,857 INFO [main.py:798]
{rank 0/64} MD step = 224500 step time: 00:00:00.354922 Performance: 28.174 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-18 09:12:49,458 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 90.796 -18800 9951.4 -28751 -28751 3.5331 -0.34151 -1.7483 4.5019e+05 2024-05-18 09:13:23,707 INFO [main.py:798]
{rank 0/64} MD step = 224600 step time: 00:00:00.351098 Performance: 28.178 ns/day 0.852 hours/ns 1.631 steps/s 2024-05-18 09:13:29,010 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 89.989 -18812 9862.9 -28675 -28675 3.5341 -0.34174 -1.7478 4.5037e+05 2024-05-18 09:14:03,501 INFO [main.py:798]
{rank 0/64} MD step = 224700 step time: 00:00:00.351330 Performance: 28.183 ns/day 0.852 hours/ns 1.631 steps/s 2024-05-18 09:14:09,603 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 91.306 -18898 10007 -28905 -28905 3.5342 -0.34139 -1.7484 4.5058e+05 2024-05-18 09:14:43,923 INFO [main.py:798]
{rank 0/64} MD step = 224800 step time: 00:00:00.336752 Performance: 28.187 ns/day 0.851 hours/ns 1.631 steps/s 2024-05-18 09:14:50,310 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 89.297 -19089 9787 -28876 -28876 3.5358 -0.33908 -1.7492 4.5075e+05 2024-05-18 09:15:25,057 INFO [main.py:798]
{rank 0/64} MD step = 224900 step time: 00:00:00.364753 Performance: 28.191 ns/day 0.851 hours/ns 1.631 steps/s 2024-05-18 09:15:30,423 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 90.413 -18923 9909.4 -28832 -28832 3.5361 -0.33758 -1.7465 4.51e+05 2024-05-18 09:16:06,022 INFO [main.py:798]
{rank 0/64} MD step = 225000 step time: 00:00:00.377218 Performance: 28.195 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-18 09:16:11,210 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 89.946 -18947 9858.1 -28806 -28806 3.5373 -0.33632 -1.7461 4.5121e+05 2024-05-18 09:16:45,784 INFO [main.py:798]
{rank 0/64} MD step = 225100 step time: 00:00:00.347122 Performance: 28.200 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-18 09:16:51,548 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 90.791 -18929 9950.8 -28880 -28880 3.5389 -0.3348 -1.7438 4.5139e+05 2024-05-18 09:17:26,459 INFO [main.py:798]
{rank 0/64} MD step = 225200 step time: 00:00:00.344798 Performance: 28.204 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-18 09:17:51,733 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 90.784 -18877 9950.1 -28827 -28827 3.5377 -0.33402 -1.7444 4.5159e+05 2024-05-18 09:18:26,446 INFO [main.py:798]
{rank 0/64} MD step = 225300 step time: 00:00:00.326961 Performance: 28.204 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-18 09:18:32,618 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 90.564 -19060 9926 -28986 -28986 3.5382 -0.33322 -1.7426 4.5176e+05 2024-05-18 09:19:09,644 INFO [main.py:798]
{rank 0/64} MD step = 225400 step time: 00:00:00.332321 Performance: 28.208 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-18 09:19:14,631 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 90.265 -19107 9893.1 -29000 -29000 3.5389 -0.33245 -1.7428 4.5196e+05 2024-05-18 09:19:49,388 INFO [main.py:798]
{rank 0/64} MD step = 225500 step time: 00:00:00.330577 Performance: 28.212 ns/day 0.851 hours/ns 1.633 steps/s 2024-05-18 09:19:55,138 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 89.106 -19301 9766.2 -29067 -29067 3.5381 -0.33166 -1.7422 4.5214e+05 2024-05-18 09:20:30,057 INFO [main.py:798]
{rank 0/64} MD step = 225600 step time: 00:00:00.329982 Performance: 28.216 ns/day 0.851 hours/ns 1.633 steps/s 2024-05-18 09:20:35,493 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 88.868 -19214 9740.1 -28954 -28954 3.5365 -0.33139 -1.7418 4.5234e+05 2024-05-18 09:21:10,329 INFO [main.py:798]
{rank 0/64} MD step = 225700 step time: 00:00:00.334354 Performance: 28.221 ns/day 0.850 hours/ns 1.633 steps/s 2024-05-18 09:21:17,098 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 87.731 -19310 9615.4 -28925 -28925 3.538 -0.33042 -1.7398 4.5255e+05 2024-05-18 09:21:51,954 INFO [main.py:798]
{rank 0/64} MD step = 225800 step time: 00:00:00.326004 Performance: 28.225 ns/day 0.850 hours/ns 1.633 steps/s 2024-05-18 09:21:57,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225800 45160 90.262 -18992 9892.9 -28885 -28885 3.5378 -0.32929 -1.7395 4.5275e+05 2024-05-18 09:22:32,787 INFO [main.py:798]
{rank 0/64} MD step = 225900 step time: 00:00:00.327393 Performance: 28.229 ns/day 0.850 hours/ns 1.634 steps/s 2024-05-18 09:22:36,389 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 89.394 -18997 9797.7 -28795 -28795 3.5386 -0.32844 -1.739 4.5297e+05 2024-05-18 09:23:12,966 INFO [main.py:798]
{rank 0/64} MD step = 226000 step time: 00:00:00.327133 Performance: 28.233 ns/day 0.850 hours/ns 1.634 steps/s 2024-05-18 09:23:18,787 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 88.842 -19320 9737.2 -29058 -29058 3.5384 -0.32812 -1.7391 4.531e+05 2024-05-18 09:23:55,641 INFO [main.py:798]
{rank 0/64} MD step = 226100 step time: 00:00:00.329138 Performance: 28.237 ns/day 0.850 hours/ns 1.634 steps/s 2024-05-18 09:24:01,149 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 89.653 -19201 9826 -29027 -29027 3.5388 -0.32703 -1.7376 4.5334e+05 2024-05-18 09:24:35,982 INFO [main.py:798]
{rank 0/64} MD step = 226200 step time: 00:00:00.330933 Performance: 28.241 ns/day 0.850 hours/ns 1.634 steps/s 2024-05-18 09:24:41,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226200 45240 90.146 -19072 9880.1 -28952 -28952 3.5388 -0.32763 -1.7366 4.5353e+05 2024-05-18 09:25:16,354 INFO [main.py:798]
{rank 0/64} MD step = 226300 step time: 00:00:00.331348 Performance: 28.245 ns/day 0.850 hours/ns 1.635 steps/s 2024-05-18 09:25:21,624 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 90.265 -18771 9893.2 -28665 -28665 3.5373 -0.32764 -1.7363 4.538e+05 2024-05-18 09:25:56,257 INFO [main.py:798]
{rank 0/64} MD step = 226400 step time: 00:00:00.340385 Performance: 28.250 ns/day 0.850 hours/ns 1.635 steps/s 2024-05-18 09:26:01,166 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 91.595 -18835 10039 -28874 -28874 3.5373 -0.32598 -1.7362 4.5396e+05 2024-05-18 09:26:35,930 INFO [main.py:798]
{rank 0/64} MD step = 226500 step time: 00:00:00.354924 Performance: 28.254 ns/day 0.849 hours/ns 1.635 steps/s 2024-05-18 09:26:40,271 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 90.487 -18925 9917.5 -28842 -28842 3.5356 -0.32712 -1.7375 4.5415e+05 2024-05-18 09:27:16,121 INFO [main.py:798]
{rank 0/64} MD step = 226600 step time: 00:00:00.351737 Performance: 28.258 ns/day 0.849 hours/ns 1.635 steps/s 2024-05-18 09:27:22,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226600 45320 89.867 -19112 9849.5 -28961 -28961 3.5347 -0.32714 -1.7365 4.5434e+05 2024-05-18 09:27:57,709 INFO [main.py:798]
{rank 0/64} MD step = 226700 step time: 00:00:00.353809 Performance: 28.262 ns/day 0.849 hours/ns 1.636 steps/s 2024-05-18 09:28:05,575 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 90.545 -18861 9923.8 -28785 -28785 3.5352 -0.3255 -1.7363 4.5459e+05 2024-05-18 09:28:40,437 INFO [main.py:798]
{rank 0/64} MD step = 226800 step time: 00:00:00.334180 Performance: 28.266 ns/day 0.849 hours/ns 1.636 steps/s 2024-05-18 09:28:46,355 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 90.779 -18866 9949.5 -28816 -28816 3.5352 -0.32529 -1.7346 4.5477e+05 2024-05-18 09:29:21,229 INFO [main.py:798]
{rank 0/64} MD step = 226900 step time: 00:00:00.339348 Performance: 28.270 ns/day 0.849 hours/ns 1.636 steps/s 2024-05-18 09:29:27,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226900 45380 90.345 -18953 9901.9 -28855 -28855 3.5368 -0.32571 -1.7326 4.5494e+05 2024-05-18 09:30:02,011 INFO [main.py:798]
{rank 0/64} MD step = 227000 step time: 00:00:00.328602 Performance: 28.274 ns/day 0.849 hours/ns 1.636 steps/s 2024-05-18 09:30:06,981 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 90.383 -19142 9906.1 -29048 -29048 3.5367 -0.32436 -1.733 4.5513e+05 2024-05-18 09:30:42,245 INFO [main.py:798]
{rank 0/64} MD step = 227100 step time: 00:00:00.331159 Performance: 28.279 ns/day 0.849 hours/ns 1.637 steps/s 2024-05-18 09:30:46,225 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 89.631 -19193 9823.7 -29017 -29017 3.5366 -0.32321 -1.7329 4.5529e+05 2024-05-18 09:31:21,326 INFO [main.py:798]
{rank 0/64} MD step = 227200 step time: 00:00:00.354321 Performance: 28.283 ns/day 0.849 hours/ns 1.637 steps/s 2024-05-18 09:31:26,398 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 90.332 -19127 9900.5 -29028 -29028 3.5364 -0.32231 -1.7316 4.5554e+05 2024-05-18 09:32:01,422 INFO [main.py:798]
{rank 0/64} MD step = 227300 step time: 00:00:00.346770 Performance: 28.288 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-18 09:32:07,340 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 91.061 -18918 9980.4 -28898 -28898 3.538 -0.32196 -1.7325 4.5578e+05 2024-05-18 09:32:43,990 INFO [main.py:798]
{rank 0/64} MD step = 227400 step time: 00:00:00.402402 Performance: 28.291 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-18 09:32:47,571 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 89.427 -19163 9801.3 -28965 -28965 3.5378 -0.32289 -1.7318 4.5595e+05 2024-05-18 09:33:23,757 INFO [main.py:798]
{rank 0/64} MD step = 227500 step time: 00:00:00.344757 Performance: 28.296 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-18 09:33:29,555 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 89.577 -19099 9817.7 -28916 -28916 3.5383 -0.32079 -1.7301 4.562e+05 2024-05-18 09:34:03,961 INFO [main.py:798]
{rank 0/64} MD step = 227600 step time: 00:00:00.356248 Performance: 28.300 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-18 09:34:10,655 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 91.134 -18856 9988.4 -28844 -28844 3.5409 -0.32061 -1.7291 4.5636e+05 2024-05-18 09:34:44,957 INFO [main.py:798]
{rank 0/64} MD step = 227700 step time: 00:00:00.338787 Performance: 28.304 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-18 09:34:52,909 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 90.111 -19140 9876.3 -29016 -29016 3.5402 -0.32046 -1.7297 4.5658e+05 2024-05-18 09:35:27,473 INFO [main.py:798]
{rank 0/64} MD step = 227800 step time: 00:00:00.351095 Performance: 28.308 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-18 09:35:32,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227800 45560 91.56 -18938 10035 -28973 -28973 3.5384 -0.31872 -1.728 4.5678e+05 2024-05-18 09:36:09,403 INFO [main.py:798]
{rank 0/64} MD step = 227900 step time: 00:00:00.352140 Performance: 28.312 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-18 09:36:14,649 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 90.948 -18814 9968 -28782 -28782 3.5399 -0.31697 -1.7276 4.57e+05 2024-05-18 09:36:49,256 INFO [main.py:798]
{rank 0/64} MD step = 228000 step time: 00:00:00.360830 Performance: 28.316 ns/day 0.848 hours/ns 1.639 steps/s 2024-05-18 09:36:56,834 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 89.441 -19153 9802.9 -28956 -28956 3.5411 -0.318 -1.7276 4.5721e+05 2024-05-18 09:37:31,603 INFO [main.py:798]
{rank 0/64} MD step = 228100 step time: 00:00:00.354071 Performance: 28.320 ns/day 0.847 hours/ns 1.639 steps/s 2024-05-18 09:37:39,115 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 89.34 -19355 9791.7 -29147 -29147 3.5399 -0.31678 -1.7257 4.5739e+05 2024-05-18 09:38:13,746 INFO [main.py:798]
{rank 0/64} MD step = 228200 step time: 00:00:00.353359 Performance: 28.324 ns/day 0.847 hours/ns 1.639 steps/s 2024-05-18 09:38:19,852 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 89.262 -19133 9783.2 -28917 -28917 3.5405 -0.31533 -1.7251 4.576e+05 2024-05-18 09:38:54,890 INFO [main.py:798]
{rank 0/64} MD step = 228300 step time: 00:00:00.357697 Performance: 28.328 ns/day 0.847 hours/ns 1.639 steps/s 2024-05-18 09:39:00,855 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 88.943 -19101 9748.2 -28849 -28849 3.5399 -0.31393 -1.7253 4.5779e+05 2024-05-18 09:39:37,300 INFO [main.py:798]
{rank 0/64} MD step = 228400 step time: 00:00:00.377092 Performance: 28.331 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-18 09:39:42,503 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 88.971 -19265 9751.3 -29016 -29016 3.5407 -0.31237 -1.7242 4.5796e+05 2024-05-18 09:40:19,088 INFO [main.py:798]
{rank 0/64} MD step = 228500 step time: 00:00:00.412677 Performance: 28.335 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-18 09:40:23,334 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 89.76 -19011 9837.8 -28849 -28849 3.5411 -0.31047 -1.7228 4.5817e+05 2024-05-18 09:40:59,527 INFO [main.py:798]
{rank 0/64} MD step = 228600 step time: 00:00:00.355266 Performance: 28.339 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-18 09:41:06,163 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 90.156 -19189 9881.2 -29070 -29070 3.5418 -0.31021 -1.7225 4.583e+05 2024-05-18 09:41:40,609 INFO [main.py:798]
{rank 0/64} MD step = 228700 step time: 00:00:00.353371 Performance: 28.344 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-18 09:41:46,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228700 45740 87.985 -19367 9643.2 -29010 -29010 3.5421 -0.31183 -1.7226 4.5849e+05 2024-05-18 09:42:20,970 INFO [main.py:798]
{rank 0/64} MD step = 228800 step time: 00:00:00.356776 Performance: 28.348 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-18 09:42:26,772 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 90.405 -18898 9908.5 -28806 -28806 3.5405 -0.31282 -1.7219 4.5874e+05 2024-05-18 09:43:01,592 INFO [main.py:798]
{rank 0/64} MD step = 228900 step time: 00:00:00.352682 Performance: 28.352 ns/day 0.847 hours/ns 1.641 steps/s 2024-05-18 09:43:10,256 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 90.461 -18961 9914.6 -28876 -28876 3.5402 -0.312 -1.7204 4.5893e+05 2024-05-18 09:43:45,005 INFO [main.py:798]
{rank 0/64} MD step = 229000 step time: 00:00:00.356831 Performance: 28.355 ns/day 0.846 hours/ns 1.641 steps/s 2024-05-18 09:43:52,176 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 90.148 -19161 9880.3 -29041 -29041 3.5403 -0.31099 -1.7183 4.5912e+05 2024-05-18 09:44:28,500 INFO [main.py:798]
{rank 0/64} MD step = 229100 step time: 00:00:00.380903 Performance: 28.359 ns/day 0.846 hours/ns 1.641 steps/s 2024-05-18 09:44:34,170 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 88.905 -19442 9744.1 -29186 -29186 3.5397 -0.31141 -1.7178 4.5931e+05 2024-05-18 09:45:08,384 INFO [main.py:798]
{rank 0/64} MD step = 229200 step time: 00:00:00.369123 Performance: 28.363 ns/day 0.846 hours/ns 1.641 steps/s 2024-05-18 09:45:13,863 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 89.986 -19162 9862.6 -29025 -29025 3.5401 -0.31067 -1.7141 4.595e+05 2024-05-18 09:45:48,881 INFO [main.py:798]
{rank 0/64} MD step = 229300 step time: 00:00:00.350638 Performance: 28.367 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-18 09:45:52,443 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 90.277 -19152 9894.5 -29046 -29046 3.5403 -0.31028 -1.7143 4.597e+05 2024-05-18 09:46:28,551 INFO [main.py:798]
{rank 0/64} MD step = 229400 step time: 00:00:00.353938 Performance: 28.372 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-18 09:46:33,275 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 89.743 -19249 9835.9 -29085 -29085 3.5401 -0.30969 -1.7133 4.599e+05 2024-05-18 09:47:08,094 INFO [main.py:798]
{rank 0/64} MD step = 229500 step time: 00:00:00.363633 Performance: 28.376 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-18 09:47:13,253 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 90.916 -18894 9964.5 -28859 -28859 3.5409 -0.31004 -1.7123 4.6015e+05 2024-05-18 09:47:47,819 INFO [main.py:798]
{rank 0/64} MD step = 229600 step time: 00:00:00.343114 Performance: 28.380 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-18 09:47:54,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229600 45920 89.14 -19228 9769.9 -28998 -28998 3.5403 -0.30779 -1.7118 4.6032e+05 2024-05-18 09:48:29,864 INFO [main.py:798]
{rank 0/64} MD step = 229700 step time: 00:00:00.351680 Performance: 28.384 ns/day 0.846 hours/ns 1.643 steps/s 2024-05-18 09:48:35,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229700 45940 90.632 -19093 9933.4 -29026 -29026 3.54 -0.30718 -1.7112 4.6052e+05 2024-05-18 09:49:10,991 INFO [main.py:798]
{rank 0/64} MD step = 229800 step time: 00:00:00.352310 Performance: 28.388 ns/day 0.845 hours/ns 1.643 steps/s 2024-05-18 09:49:16,223 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 89.098 -19086 9765.3 -28851 -28851 3.5406 -0.30458 -1.711 4.607e+05 2024-05-18 09:49:50,798 INFO [main.py:798]
{rank 0/64} MD step = 229900 step time: 00:00:00.354636 Performance: 28.392 ns/day 0.845 hours/ns 1.643 steps/s 2024-05-18 09:49:56,163 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 90.352 -19015 9902.7 -28918 -28918 3.5408 -0.30348 -1.7089 4.6086e+05 2024-05-18 09:50:31,431 INFO [main.py:798]
{rank 0/64} MD step = 230000 step time: 00:00:00.345116 Performance: 28.397 ns/day 0.845 hours/ns 1.643 steps/s 2024-05-18 09:50:36,332 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 89.901 -19062 9853.3 -28915 -28915 3.5422 -0.30234 -1.7084 4.611e+05 2024-05-18 09:51:10,629 INFO [main.py:798]
{rank 0/64} MD step = 230100 step time: 00:00:00.354455 Performance: 28.401 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-18 09:51:14,799 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 90.631 -19140 9933.3 -29073 -29073 3.5407 -0.30113 -1.7075 4.6129e+05 2024-05-18 09:51:51,411 INFO [main.py:798]
{rank 0/64} MD step = 230200 step time: 00:00:00.352714 Performance: 28.405 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-18 09:51:57,075 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 90.596 -19048 9929.4 -28977 -28977 3.5429 -0.29918 -1.7073 4.6151e+05 2024-05-18 09:52:31,796 INFO [main.py:798]
{rank 0/64} MD step = 230300 step time: 00:00:00.332185 Performance: 28.409 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-18 09:52:37,816 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 89.378 -18925 9796 -28721 -28721 3.5424 -0.29697 -1.7059 4.6173e+05 2024-05-18 09:53:12,582 INFO [main.py:798]
{rank 0/64} MD step = 230400 step time: 00:00:00.331445 Performance: 28.413 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-18 09:53:18,274 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 89.509 -19070 9810.3 -28881 -28881 3.5431 -0.29668 -1.7055 4.6191e+05 2024-05-18 09:53:52,476 INFO [main.py:798]
{rank 0/64} MD step = 230500 step time: 00:00:00.335342 Performance: 28.417 ns/day 0.845 hours/ns 1.645 steps/s 2024-05-18 09:54:01,269 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 89.562 -19315 9816.1 -29131 -29131 3.5445 -0.29701 -1.7047 4.6212e+05 2024-05-18 09:54:35,674 INFO [main.py:798]
{rank 0/64} MD step = 230600 step time: 00:00:00.341809 Performance: 28.421 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-18 09:54:42,423 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 90.093 -19005 9874.3 -28879 -28879 3.5452 -0.29609 -1.7053 4.6233e+05 2024-05-18 09:55:17,579 INFO [main.py:798]
{rank 0/64} MD step = 230700 step time: 00:00:00.330360 Performance: 28.425 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-18 09:55:23,298 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 90.664 -19143 9936.9 -29080 -29080 3.547 -0.29499 -1.7055 4.6253e+05 2024-05-18 09:55:59,528 INFO [main.py:798]
{rank 0/64} MD step = 230800 step time: 00:00:00.329962 Performance: 28.429 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-18 09:56:05,021 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 90.538 -18971 9923.1 -28894 -28894 3.5474 -0.29259 -1.705 4.6275e+05 2024-05-18 09:56:40,203 INFO [main.py:798]
{rank 0/64} MD step = 230900 step time: 00:00:00.337755 Performance: 28.433 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-18 09:56:48,197 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 91.442 -18817 10022 -28839 -28839 3.5471 -0.29004 -1.7042 4.6296e+05 2024-05-18 09:57:23,234 INFO [main.py:798]
{rank 0/64} MD step = 231000 step time: 00:00:00.347285 Performance: 28.436 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-18 09:57:30,209 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 91.399 -19151 10017 -29169 -29169 3.5473 -0.28797 -1.7045 4.6312e+05 2024-05-18 09:58:04,837 INFO [main.py:798]
{rank 0/64} MD step = 231100 step time: 00:00:00.355836 Performance: 28.440 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-18 09:58:10,506 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 90.937 -19179 9966.8 -29146 -29146 3.548 -0.28701 -1.7014 4.6331e+05 2024-05-18 09:58:46,699 INFO [main.py:798]
{rank 0/64} MD step = 231200 step time: 00:00:00.364123 Performance: 28.444 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-18 09:58:50,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231200 46240 90.479 -19246 9916.6 -29163 -29163 3.5477 -0.28649 -1.7001 4.635e+05 2024-05-18 09:59:26,040 INFO [main.py:798]
{rank 0/64} MD step = 231300 step time: 00:00:00.347460 Performance: 28.448 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-18 09:59:32,625 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 89.441 -19161 9802.8 -28964 -28964 3.549 -0.28626 -1.6988 4.6368e+05 2024-05-18 10:00:07,034 INFO [main.py:798]
{rank 0/64} MD step = 231400 step time: 00:00:00.364626 Performance: 28.452 ns/day 0.844 hours/ns 1.647 steps/s 2024-05-18 10:00:12,242 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 90.026 -19123 9867 -28990 -28990 3.5486 -0.28549 -1.6982 4.639e+05 2024-05-18 10:00:49,627 INFO [main.py:798]
{rank 0/64} MD step = 231500 step time: 00:00:00.374797 Performance: 28.456 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-18 10:00:56,047 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 89.078 -19383 9763.1 -29147 -29147 3.5488 -0.28437 -1.6972 4.6403e+05 2024-05-18 10:01:30,585 INFO [main.py:798]
{rank 0/64} MD step = 231600 step time: 00:00:00.347136 Performance: 28.460 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-18 10:01:35,890 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 90.686 -18875 9939.3 -28814 -28814 3.55 -0.28529 -1.6967 4.643e+05 2024-05-18 10:02:12,122 INFO [main.py:798]
{rank 0/64} MD step = 231700 step time: 00:00:00.356967 Performance: 28.464 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-18 10:02:18,389 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 89.758 -19329 9837.5 -29166 -29166 3.5497 -0.28126 -1.6979 4.6444e+05 2024-05-18 10:02:52,995 INFO [main.py:798]
{rank 0/64} MD step = 231800 step time: 00:00:00.352932 Performance: 28.468 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-18 10:02:58,298 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 91.033 -19126 9977.3 -29103 -29103 3.5505 -0.27948 -1.6983 4.6466e+05 2024-05-18 10:03:33,720 INFO [main.py:798]
{rank 0/64} MD step = 231900 step time: 00:00:00.361410 Performance: 28.472 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-18 10:03:39,973 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 89.283 -19107 9785.5 -28892 -28892 3.5511 -0.2772 -1.6973 4.6489e+05 2024-05-18 10:04:14,823 INFO [main.py:798]
{rank 0/64} MD step = 232000 step time: 00:00:00.343500 Performance: 28.476 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-18 10:04:20,248 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 90.273 -19119 9894 -29013 -29013 3.5503 -0.27527 -1.697 4.6505e+05 2024-05-18 10:04:54,923 INFO [main.py:798]
{rank 0/64} MD step = 232100 step time: 00:00:00.345886 Performance: 28.480 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-18 10:05:00,948 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 91.589 -19045 10038 -29083 -29083 3.5495 -0.27468 -1.6951 4.6525e+05 2024-05-18 10:05:36,019 INFO [main.py:798]
{rank 0/64} MD step = 232200 step time: 00:00:00.362364 Performance: 28.484 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-18 10:05:43,592 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 91.11 -19192 9985.8 -29178 -29178 3.5496 -0.27402 -1.6936 4.6545e+05 2024-05-18 10:06:18,834 INFO [main.py:798]
{rank 0/64} MD step = 232300 step time: 00:00:00.335248 Performance: 28.488 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-18 10:06:25,058 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 90.989 -19017 9972.5 -28989 -28989 3.5496 -0.2732 -1.6936 4.6564e+05 2024-05-18 10:07:01,721 INFO [main.py:798]
{rank 0/64} MD step = 232400 step time: 00:00:00.336626 Performance: 28.491 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-18 10:07:07,285 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 90.023 -19069 9866.6 -28936 -28936 3.5493 -0.27037 -1.6934 4.6583e+05 2024-05-18 10:07:42,106 INFO [main.py:798]
{rank 0/64} MD step = 232500 step time: 00:00:00.334737 Performance: 28.495 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-18 10:07:47,232 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 89.348 -19115 9792.6 -28907 -28907 3.5504 -0.27106 -1.693 4.6604e+05 2024-05-18 10:08:22,197 INFO [main.py:798]
{rank 0/64} MD step = 232600 step time: 00:00:00.333612 Performance: 28.499 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-18 10:08:41,669 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 89.536 -19374 9813.3 -29187 -29187 3.5502 -0.26954 -1.6926 4.6621e+05 2024-05-18 10:09:16,262 INFO [main.py:798]
{rank 0/64} MD step = 232700 step time: 00:00:00.357957 Performance: 28.501 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-18 10:09:21,286 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 89.123 -19429 9768 -29197 -29197 3.5504 -0.26798 -1.6922 4.6644e+05 2024-05-18 10:09:56,300 INFO [main.py:798]
{rank 0/64} MD step = 232800 step time: 00:00:00.349953 Performance: 28.505 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-18 10:10:04,179 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 88.82 -19427 9734.8 -29162 -29162 3.5506 -0.26668 -1.6924 4.6666e+05 2024-05-18 10:10:38,971 INFO [main.py:798]
{rank 0/64} MD step = 232900 step time: 00:00:00.340616 Performance: 28.509 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-18 10:10:45,360 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 90.704 -19117 9941.2 -29058 -29058 3.5485 -0.26481 -1.6905 4.6687e+05 2024-05-18 10:11:20,330 INFO [main.py:798]
{rank 0/64} MD step = 233000 step time: 00:00:00.341920 Performance: 28.512 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-18 10:11:27,847 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 89.239 -19113 9780.7 -28893 -28893 3.5466 -0.26373 -1.6902 4.6709e+05 2024-05-18 10:12:02,333 INFO [main.py:798]
{rank 0/64} MD step = 233100 step time: 00:00:00.336421 Performance: 28.516 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-18 10:12:09,591 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 89.882 -19324 9851.2 -29175 -29175 3.5475 -0.26443 -1.6893 4.6721e+05 2024-05-18 10:12:44,901 INFO [main.py:798]
{rank 0/64} MD step = 233200 step time: 00:00:00.352398 Performance: 28.520 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-18 10:12:50,277 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 90.972 -19297 9970.6 -29267 -29267 3.5483 -0.2628 -1.6897 4.6737e+05 2024-05-18 10:13:25,254 INFO [main.py:798]
{rank 0/64} MD step = 233300 step time: 00:00:00.361034 Performance: 28.524 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-18 10:13:31,178 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 89.831 -19267 9845.5 -29112 -29112 3.5488 -0.26066 -1.6891 4.6763e+05 2024-05-18 10:14:05,656 INFO [main.py:798]
{rank 0/64} MD step = 233400 step time: 00:00:00.359007 Performance: 28.528 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-18 10:14:10,693 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 91.079 -19039 9982.4 -29022 -29022 3.5483 -0.26089 -1.6878 4.6781e+05 2024-05-18 10:14:45,361 INFO [main.py:798]
{rank 0/64} MD step = 233500 step time: 00:00:00.355901 Performance: 28.532 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-18 10:14:50,467 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 89.903 -19346 9853.4 -29200 -29200 3.5498 -0.26158 -1.6866 4.6799e+05 2024-05-18 10:15:25,482 INFO [main.py:798]
{rank 0/64} MD step = 233600 step time: 00:00:00.380741 Performance: 28.536 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-18 10:15:30,777 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 89.785 -19386 9840.5 -29226 -29226 3.5484 -0.26188 -1.6871 4.6823e+05 2024-05-18 10:16:06,230 INFO [main.py:798]
{rank 0/64} MD step = 233700 step time: 00:00:00.375162 Performance: 28.540 ns/day 0.841 hours/ns 1.652 steps/s 2024-05-18 10:16:12,251 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 91.038 -19171 9977.9 -29149 -29149 3.5494 -0.26104 -1.6844 4.6846e+05 2024-05-18 10:16:48,602 INFO [main.py:798]
{rank 0/64} MD step = 233800 step time: 00:00:00.374259 Performance: 28.544 ns/day 0.841 hours/ns 1.652 steps/s 2024-05-18 10:16:53,630 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 88.672 -19309 9718.5 -29027 -29027 3.5495 -0.26081 -1.6842 4.6867e+05 2024-05-18 10:17:29,387 INFO [main.py:798]
{rank 0/64} MD step = 233900 step time: 00:00:00.343820 Performance: 28.548 ns/day 0.841 hours/ns 1.652 steps/s 2024-05-18 10:17:38,129 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 89.732 -19252 9834.7 -29087 -29087 3.5494 -0.26019 -1.6843 4.6887e+05 2024-05-18 10:18:12,455 INFO [main.py:798]
{rank 0/64} MD step = 234000 step time: 00:00:00.355125 Performance: 28.552 ns/day 0.841 hours/ns 1.652 steps/s 2024-05-18 10:18:17,912 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 90.634 -19195 9933.6 -29129 -29129 3.5502 -0.25954 -1.6827 4.6901e+05 2024-05-18 10:18:53,378 INFO [main.py:798]
{rank 0/64} MD step = 234100 step time: 00:00:00.377428 Performance: 28.555 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-18 10:18:59,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234100 46820 88.643 -19310 9715.4 -29026 -29026 3.5512 -0.25866 -1.6827 4.6918e+05 2024-05-18 10:19:34,529 INFO [main.py:798]
{rank 0/64} MD step = 234200 step time: 00:00:00.371146 Performance: 28.559 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-18 10:19:41,111 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 89.662 -19076 9827.1 -28903 -28903 3.5518 -0.25705 -1.6829 4.6937e+05 2024-05-18 10:20:15,539 INFO [main.py:798]
{rank 0/64} MD step = 234300 step time: 00:00:00.344004 Performance: 28.563 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-18 10:20:21,856 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 90.513 -18941 9920.3 -28861 -28861 3.5508 -0.25727 -1.6823 4.6956e+05 2024-05-18 10:20:56,548 INFO [main.py:798]
{rank 0/64} MD step = 234400 step time: 00:00:00.336596 Performance: 28.567 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-18 10:21:02,915 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 89.068 -19215 9762 -28977 -28977 3.5503 -0.2548 -1.6812 4.6975e+05 2024-05-18 10:21:40,298 INFO [main.py:798]
{rank 0/64} MD step = 234500 step time: 00:00:00.340342 Performance: 28.571 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-18 10:21:49,692 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 90.376 -19008 9905.3 -28913 -28913 3.5514 -0.2535 -1.6799 4.6998e+05 2024-05-18 10:22:25,479 INFO [main.py:798]
{rank 0/64} MD step = 234600 step time: 00:00:00.380155 Performance: 28.574 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-18 10:22:30,652 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 89.506 -19077 9810 -28887 -28887 3.5515 -0.25358 -1.6803 4.7016e+05 2024-05-18 10:23:05,337 INFO [main.py:798]
{rank 0/64} MD step = 234700 step time: 00:00:00.361631 Performance: 28.578 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-18 10:23:11,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234700 46940 89.648 -19162 9825.5 -28988 -28988 3.5526 -0.25413 -1.6796 4.7032e+05 2024-05-18 10:23:45,833 INFO [main.py:798]
{rank 0/64} MD step = 234800 step time: 00:00:00.350922 Performance: 28.582 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-18 10:24:03,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234800 46960 91.016 -18822 9975.4 -28797 -28797 3.5522 -0.25354 -1.6779 4.7053e+05 2024-05-18 10:24:39,626 INFO [main.py:798]
{rank 0/64} MD step = 234900 step time: 00:00:00.386610 Performance: 28.583 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-18 10:24:45,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234900 46980 90.313 -18825 9898.4 -28723 -28723 3.5536 -0.25194 -1.6799 4.7075e+05 2024-05-18 10:25:19,749 INFO [main.py:798]
{rank 0/64} MD step = 235000 step time: 00:00:00.353819 Performance: 28.587 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-18 10:25:25,510 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 89.997 -19049 9863.8 -28913 -28913 3.5539 -0.2512 -1.6794 4.709e+05 2024-05-18 10:26:00,001 INFO [main.py:798]
{rank 0/64} MD step = 235100 step time: 00:00:00.351058 Performance: 28.591 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-18 10:26:07,336 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 90.026 -19228 9867 -29095 -29095 3.5549 -0.25133 -1.6806 4.7106e+05 2024-05-18 10:26:42,003 INFO [main.py:798]
{rank 0/64} MD step = 235200 step time: 00:00:00.354342 Performance: 28.595 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-18 10:26:47,238 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 88.818 -19242 9734.6 -28977 -28977 3.5556 -0.25175 -1.6799 4.7129e+05 2024-05-18 10:27:22,059 INFO [main.py:798]
{rank 0/64} MD step = 235300 step time: 00:00:00.361878 Performance: 28.599 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-18 10:27:28,280 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 90.226 -19077 9888.9 -28966 -28966 3.5564 -0.25154 -1.6808 4.7143e+05 2024-05-18 10:28:02,914 INFO [main.py:798]
{rank 0/64} MD step = 235400 step time: 00:00:00.345199 Performance: 28.603 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-18 10:28:08,979 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 89.095 -19193 9764.9 -28957 -28957 3.5571 -0.25022 -1.6801 4.7162e+05 2024-05-18 10:28:44,354 INFO [main.py:798]
{rank 0/64} MD step = 235500 step time: 00:00:00.370492 Performance: 28.607 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-18 10:28:54,251 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 89.257 -19286 9782.7 -29069 -29069 3.5582 -0.24939 -1.6791 4.7183e+05 2024-05-18 10:29:28,593 INFO [main.py:798]
{rank 0/64} MD step = 235600 step time: 00:00:00.341432 Performance: 28.610 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-18 10:29:33,781 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 90.038 -19017 9868.2 -28886 -28886 3.5584 -0.24932 -1.6795 4.7202e+05 2024-05-18 10:30:08,435 INFO [main.py:798]
{rank 0/64} MD step = 235700 step time: 00:00:00.350981 Performance: 28.614 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-18 10:30:13,308 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 91.512 -19085 10030 -29115 -29115 3.5582 -0.25205 -1.679 4.722e+05 2024-05-18 10:30:48,284 INFO [main.py:798]
{rank 0/64} MD step = 235800 step time: 00:00:00.351915 Performance: 28.618 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-18 10:30:52,024 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 88.878 -19329 9741.2 -29070 -29070 3.5588 -0.24958 -1.6783 4.7239e+05 2024-05-18 10:31:27,479 INFO [main.py:798]
{rank 0/64} MD step = 235900 step time: 00:00:00.353463 Performance: 28.623 ns/day 0.838 hours/ns 1.656 steps/s 2024-05-18 10:31:33,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235900 47180 90.856 -19133 9957.9 -29091 -29091 3.558 -0.25027 -1.6783 4.7256e+05 2024-05-18 10:32:08,018 INFO [main.py:798]
{rank 0/64} MD step = 236000 step time: 00:00:00.348872 Performance: 28.627 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-18 10:32:13,220 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 88.864 -19458 9739.7 -29198 -29198 3.5587 -0.24885 -1.6765 4.7276e+05 2024-05-18 10:32:49,738 INFO [main.py:798]
{rank 0/64} MD step = 236100 step time: 00:00:00.388924 Performance: 28.630 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-18 10:32:54,952 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 88.599 -19499 9710.6 -29210 -29210 3.5594 -0.24857 -1.6762 4.7293e+05 2024-05-18 10:33:29,645 INFO [main.py:798]
{rank 0/64} MD step = 236200 step time: 00:00:00.354587 Performance: 28.635 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-18 10:33:34,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236200 47240 91.204 -19179 9996.1 -29175 -29175 3.5586 -0.24589 -1.674 4.7313e+05 2024-05-18 10:34:09,397 INFO [main.py:798]
{rank 0/64} MD step = 236300 step time: 00:00:00.351184 Performance: 28.639 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-18 10:34:14,387 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 90.059 -19268 9870.6 -29138 -29138 3.5599 -0.2443 -1.673 4.7334e+05 2024-05-18 10:34:49,120 INFO [main.py:798]
{rank 0/64} MD step = 236400 step time: 00:00:00.351411 Performance: 28.643 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-18 10:34:56,090 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 90.668 -19150 9937.4 -29088 -29088 3.5606 -0.24344 -1.6732 4.7359e+05 2024-05-18 10:35:30,816 INFO [main.py:798]
{rank 0/64} MD step = 236500 step time: 00:00:00.355846 Performance: 28.647 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-18 10:35:36,787 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 88.655 -19370 9716.7 -29087 -29087 3.5632 -0.24319 -1.6715 4.7375e+05 2024-05-18 10:36:11,556 INFO [main.py:798]
{rank 0/64} MD step = 236600 step time: 00:00:00.379880 Performance: 28.650 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-18 10:36:17,143 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 90.501 -19171 9919 -29090 -29090 3.5646 -0.24287 -1.6709 4.7398e+05 2024-05-18 10:36:51,949 INFO [main.py:798]
{rank 0/64} MD step = 236700 step time: 00:00:00.350091 Performance: 28.654 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-18 10:36:56,676 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 91.568 -19041 10036 -29077 -29077 3.5658 -0.24253 -1.6694 4.7409e+05 2024-05-18 10:37:31,728 INFO [main.py:798]
{rank 0/64} MD step = 236800 step time: 00:00:00.350999 Performance: 28.659 ns/day 0.837 hours/ns 1.658 steps/s 2024-05-18 10:37:37,082 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 90.742 -19056 9945.4 -29001 -29001 3.5665 -0.2423 -1.6666 4.7435e+05 2024-05-18 10:38:11,890 INFO [main.py:798]
{rank 0/64} MD step = 236900 step time: 00:00:00.337799 Performance: 28.663 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-18 10:38:17,465 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 89.621 -19296 9822.6 -29119 -29119 3.5678 -0.24199 -1.6659 4.7454e+05 2024-05-18 10:38:52,339 INFO [main.py:798]
{rank 0/64} MD step = 237000 step time: 00:00:00.341650 Performance: 28.667 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-18 10:38:57,552 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 90.964 -18980 9969.8 -28950 -28950 3.568 -0.24057 -1.6653 4.7473e+05 2024-05-18 10:39:32,164 INFO [main.py:798]
{rank 0/64} MD step = 237100 step time: 00:00:00.356108 Performance: 28.671 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-18 10:39:37,491 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 89.018 -19076 9756.4 -28833 -28833 3.5687 -0.23812 -1.6656 4.7491e+05 2024-05-18 10:40:11,996 INFO [main.py:798]
{rank 0/64} MD step = 237200 step time: 00:00:00.354139 Performance: 28.675 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-18 10:40:16,937 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 90.543 -18857 9923.7 -28780 -28780 3.5708 -0.23651 -1.6654 4.7516e+05 2024-05-18 10:40:51,508 INFO [main.py:798]
{rank 0/64} MD step = 237300 step time: 00:00:00.346952 Performance: 28.679 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-18 10:40:58,393 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 90.581 -18859 9927.8 -28787 -28787 3.5719 -0.23495 -1.6649 4.7534e+05 2024-05-18 10:41:32,809 INFO [main.py:798]
{rank 0/64} MD step = 237400 step time: 00:00:00.341031 Performance: 28.683 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-18 10:41:39,980 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 89.568 -19037 9816.8 -28853 -28853 3.5735 -0.23464 -1.6643 4.7552e+05 2024-05-18 10:42:16,343 INFO [main.py:798]
{rank 0/64} MD step = 237500 step time: 00:00:00.375809 Performance: 28.686 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-18 10:42:22,367 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 89.979 -19139 9861.8 -29001 -29001 3.5735 -0.23461 -1.6632 4.7575e+05 2024-05-18 10:42:57,073 INFO [main.py:798]
{rank 0/64} MD step = 237600 step time: 00:00:00.360331 Performance: 28.690 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-18 10:43:04,005 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 89.323 -19005 9789.9 -28795 -28795 3.5731 -0.23584 -1.6632 4.7598e+05 2024-05-18 10:43:38,873 INFO [main.py:798]
{rank 0/64} MD step = 237700 step time: 00:00:00.378785 Performance: 28.694 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-18 10:43:44,743 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 89.308 -19320 9788.3 -29109 -29109 3.573 -0.23443 -1.6625 4.7617e+05 2024-05-18 10:44:19,091 INFO [main.py:798]
{rank 0/64} MD step = 237800 step time: 00:00:00.365863 Performance: 28.698 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-18 10:44:25,429 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 90.327 -19245 9899.9 -29145 -29145 3.5714 -0.23323 -1.6623 4.7639e+05 2024-05-18 10:44:59,880 INFO [main.py:798]
{rank 0/64} MD step = 237900 step time: 00:00:00.343365 Performance: 28.702 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-18 10:45:05,041 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 90.961 -19143 9969.5 -29112 -29112 3.5722 -0.23239 -1.6601 4.7665e+05 2024-05-18 10:45:39,792 INFO [main.py:798]
{rank 0/64} MD step = 238000 step time: 00:00:00.343423 Performance: 28.706 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-18 10:45:54,983 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 89.341 -19269 9791.9 -29061 -29061 3.5731 -0.23102 -1.6594 4.7681e+05 2024-05-18 10:46:29,864 INFO [main.py:798]
{rank 0/64} MD step = 238100 step time: 00:00:00.350522 Performance: 28.708 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-18 10:46:35,483 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 91.102 -19127 9984.9 -29112 -29112 3.5741 -0.22942 -1.6608 4.7701e+05 2024-05-18 10:47:09,956 INFO [main.py:798]
{rank 0/64} MD step = 238200 step time: 00:00:00.357311 Performance: 28.712 ns/day 0.836 hours/ns 1.662 steps/s 2024-05-18 10:47:15,377 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 89.539 -19192 9813.6 -29006 -29006 3.5745 -0.22781 -1.661 4.7722e+05 2024-05-18 10:47:49,893 INFO [main.py:798]
{rank 0/64} MD step = 238300 step time: 00:00:00.348191 Performance: 28.716 ns/day 0.836 hours/ns 1.662 steps/s 2024-05-18 10:47:55,693 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 90.22 -19159 9888.2 -29048 -29048 3.5729 -0.22599 -1.6607 4.7743e+05 2024-05-18 10:48:29,854 INFO [main.py:798]
{rank 0/64} MD step = 238400 step time: 00:00:00.345113 Performance: 28.720 ns/day 0.836 hours/ns 1.662 steps/s 2024-05-18 10:48:35,508 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 88.759 -19308 9728.1 -29036 -29036 3.5729 -0.22635 -1.6602 4.7759e+05 2024-05-18 10:49:09,955 INFO [main.py:798]
{rank 0/64} MD step = 238500 step time: 00:00:00.338566 Performance: 28.724 ns/day 0.836 hours/ns 1.662 steps/s 2024-05-18 10:49:16,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238500 47700 89.987 -19201 9862.6 -29063 -29063 3.5723 -0.22569 -1.6595 4.7787e+05 2024-05-18 10:49:51,315 INFO [main.py:798]
{rank 0/64} MD step = 238600 step time: 00:00:00.343887 Performance: 28.728 ns/day 0.835 hours/ns 1.662 steps/s 2024-05-18 10:49:57,477 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 88.973 -19364 9751.6 -29116 -29116 3.573 -0.22497 -1.657 4.7806e+05 2024-05-18 10:50:32,062 INFO [main.py:798]
{rank 0/64} MD step = 238700 step time: 00:00:00.344107 Performance: 28.732 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-18 10:50:39,053 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 89.84 -19239 9846.6 -29086 -29086 3.575 -0.22209 -1.6566 4.7829e+05 2024-05-18 10:51:14,753 INFO [main.py:798]
{rank 0/64} MD step = 238800 step time: 00:00:00.350930 Performance: 28.735 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-18 10:51:20,189 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 91.173 -18843 9992.7 -28836 -28836 3.5741 -0.2221 -1.6545 4.785e+05 2024-05-18 10:51:54,692 INFO [main.py:798]
{rank 0/64} MD step = 238900 step time: 00:00:00.349564 Performance: 28.739 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-18 10:52:00,321 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 90.742 -19110 9945.4 -29056 -29056 3.5755 -0.22163 -1.6536 4.7869e+05 2024-05-18 10:52:35,198 INFO [main.py:798]
{rank 0/64} MD step = 239000 step time: 00:00:00.360662 Performance: 28.743 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-18 10:52:40,927 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 90.281 -19080 9894.9 -28975 -28975 3.5761 -0.21921 -1.6532 4.7892e+05 2024-05-18 10:53:15,866 INFO [main.py:798]
{rank 0/64} MD step = 239100 step time: 00:00:00.357068 Performance: 28.747 ns/day 0.835 hours/ns 1.664 steps/s 2024-05-18 10:53:21,659 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 89.683 -18960 9829.4 -28789 -28789 3.5756 -0.21814 -1.652 4.7917e+05 2024-05-18 10:53:57,006 INFO [main.py:798]
{rank 0/64} MD step = 239200 step time: 00:00:00.351459 Performance: 28.751 ns/day 0.835 hours/ns 1.664 steps/s 2024-05-18 10:54:02,849 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 89.491 -19090 9808.3 -28898 -28898 3.5774 -0.21483 -1.6516 4.7936e+05 2024-05-18 10:54:37,328 INFO [main.py:798]
{rank 0/64} MD step = 239300 step time: 00:00:00.330763 Performance: 28.755 ns/day 0.835 hours/ns 1.664 steps/s 2024-05-18 10:54:50,026 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 91.235 -18971 9999.5 -28970 -28970 3.5762 -0.21407 -1.6518 4.7955e+05 2024-05-18 10:55:24,407 INFO [main.py:798]
{rank 0/64} MD step = 239400 step time: 00:00:00.352682 Performance: 28.757 ns/day 0.835 hours/ns 1.664 steps/s 2024-05-18 10:55:29,083 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 89.951 -18804 9858.7 -28663 -28663 3.5781 -0.21217 -1.6524 4.7974e+05 2024-05-18 10:56:03,734 INFO [main.py:798]
{rank 0/64} MD step = 239500 step time: 00:00:00.330396 Performance: 28.761 ns/day 0.834 hours/ns 1.664 steps/s 2024-05-18 10:56:09,464 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 89.034 -18911 9758.2 -28669 -28669 3.5781 -0.21248 -1.6523 4.7994e+05 2024-05-18 10:56:49,476 INFO [main.py:798]
{rank 0/64} MD step = 239600 step time: 00:00:00.330622 Performance: 28.764 ns/day 0.834 hours/ns 1.665 steps/s 2024-05-18 10:56:59,390 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 89.647 -19172 9825.5 -28997 -28997 3.5796 -0.21077 -1.6501 4.8012e+05 2024-05-18 10:57:33,763 INFO [main.py:798]
{rank 0/64} MD step = 239700 step time: 00:00:00.356236 Performance: 28.767 ns/day 0.834 hours/ns 1.665 steps/s 2024-05-18 10:57:40,234 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 89.54 -19088 9813.7 -28902 -28902 3.5792 -0.21182 -1.6471 4.8034e+05 2024-05-18 10:58:15,212 INFO [main.py:798]
{rank 0/64} MD step = 239800 step time: 00:00:00.356611 Performance: 28.771 ns/day 0.834 hours/ns 1.665 steps/s 2024-05-18 10:58:22,561 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 91.079 -18818 9982.4 -28801 -28801 3.5789 -0.21199 -1.6465 4.8057e+05 2024-05-18 10:58:57,492 INFO [main.py:798]
{rank 0/64} MD step = 239900 step time: 00:00:00.340252 Performance: 28.775 ns/day 0.834 hours/ns 1.665 steps/s 2024-05-18 10:59:06,463 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 92.397 -18717 10127 -28844 -28844 3.5797 -0.20961 -1.6465 4.8072e+05 2024-05-18 10:59:41,675 INFO [main.py:798]
{rank 0/64} MD step = 240000 step time: 00:00:00.355388 Performance: 28.778 ns/day 0.834 hours/ns 1.665 steps/s 2024-05-18 10:59:47,241 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 89.926 -18960 9856 -28816 -28816 3.5779 -0.20801 -1.6468 4.8093e+05 2024-05-18 11:00:22,046 INFO [main.py:798]
{rank 0/64} MD step = 240100 step time: 00:00:00.341362 Performance: 28.782 ns/day 0.834 hours/ns 1.666 steps/s 2024-05-18 11:00:27,731 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 89.587 -19171 9818.9 -28990 -28990 3.577 -0.20752 -1.6473 4.8108e+05 2024-05-18 11:01:02,619 INFO [main.py:798]
{rank 0/64} MD step = 240200 step time: 00:00:00.354470 Performance: 28.786 ns/day 0.834 hours/ns 1.666 steps/s 2024-05-18 11:01:07,835 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 89.492 -18922 9808.4 -28731 -28731 3.5769 -0.20782 -1.647 4.8132e+05 2024-05-18 11:01:44,990 INFO [main.py:798]
{rank 0/64} MD step = 240300 step time: 00:00:00.371517 Performance: 28.789 ns/day 0.834 hours/ns 1.666 steps/s 2024-05-18 11:01:51,626 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 89.44 -19011 9802.7 -28814 -28814 3.5787 -0.20649 -1.6449 4.8149e+05 2024-05-18 11:02:28,665 INFO [main.py:798]
{rank 0/64} MD step = 240400 step time: 00:00:00.384820 Performance: 28.792 ns/day 0.834 hours/ns 1.666 steps/s 2024-05-18 11:02:33,563 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 90.69 -18920 9939.7 -28860 -28860 3.5783 -0.20595 -1.6433 4.817e+05 2024-05-18 11:03:10,233 INFO [main.py:798]
{rank 0/64} MD step = 240500 step time: 00:00:00.351911 Performance: 28.796 ns/day 0.833 hours/ns 1.666 steps/s 2024-05-18 11:03:22,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240500 48100 89.911 -18989 9854.3 -28843 -28843 3.5777 -0.2065 -1.6415 4.8188e+05 2024-05-18 11:03:57,054 INFO [main.py:798]
{rank 0/64} MD step = 240600 step time: 00:00:00.354219 Performance: 28.799 ns/day 0.833 hours/ns 1.667 steps/s 2024-05-18 11:04:04,074 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 89.737 -18941 9835.3 -28777 -28777 3.5785 -0.20731 -1.6406 4.8209e+05 2024-05-18 11:04:38,414 INFO [main.py:798]
{rank 0/64} MD step = 240700 step time: 00:00:00.351561 Performance: 28.802 ns/day 0.833 hours/ns 1.667 steps/s 2024-05-18 11:04:44,184 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 90.607 -18716 9930.7 -28646 -28646 3.579 -0.20592 -1.6392 4.8232e+05 2024-05-18 11:05:19,027 INFO [main.py:798]
{rank 0/64} MD step = 240800 step time: 00:00:00.355410 Performance: 28.806 ns/day 0.833 hours/ns 1.667 steps/s 2024-05-18 11:05:26,413 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 90.124 -18902 9877.7 -28780 -28780 3.5802 -0.20618 -1.6379 4.8245e+05 2024-05-18 11:06:00,929 INFO [main.py:798]
{rank 0/64} MD step = 240900 step time: 00:00:00.342465 Performance: 28.810 ns/day 0.833 hours/ns 1.667 steps/s 2024-05-18 11:06:09,305 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 87.704 -19136 9612.5 -28748 -28748 3.5814 -0.20576 -1.6367 4.8271e+05 2024-05-18 11:06:44,538 INFO [main.py:798]
{rank 0/64} MD step = 241000 step time: 00:00:00.346947 Performance: 28.813 ns/day 0.833 hours/ns 1.667 steps/s 2024-05-18 11:06:52,099 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 89.533 -19010 9812.9 -28823 -28823 3.5824 -0.20527 -1.6348 4.829e+05 2024-05-18 11:07:26,972 INFO [main.py:798]
{rank 0/64} MD step = 241100 step time: 00:00:00.360862 Performance: 28.817 ns/day 0.833 hours/ns 1.668 steps/s 2024-05-18 11:07:32,444 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 90.658 -18779 9936.3 -28715 -28715 3.5823 -0.20686 -1.6344 4.831e+05 2024-05-18 11:08:08,948 INFO [main.py:798]
{rank 0/64} MD step = 241200 step time: 00:00:00.355433 Performance: 28.820 ns/day 0.833 hours/ns 1.668 steps/s 2024-05-18 11:08:15,107 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 90.445 -18847 9912.9 -28759 -28759 3.5826 -0.20632 -1.6334 4.8331e+05 2024-05-18 11:08:49,925 INFO [main.py:798]
{rank 0/64} MD step = 241300 step time: 00:00:00.356501 Performance: 28.824 ns/day 0.833 hours/ns 1.668 steps/s 2024-05-18 11:08:55,686 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 89.443 -19016 9803 -28819 -28819 3.5829 -0.20459 -1.6329 4.8346e+05 2024-05-18 11:09:29,920 INFO [main.py:798]
{rank 0/64} MD step = 241400 step time: 00:00:00.341390 Performance: 28.828 ns/day 0.833 hours/ns 1.668 steps/s 2024-05-18 11:09:54,603 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 88.581 -19172 9708.6 -28881 -28881 3.5856 -0.20365 -1.6328 4.8363e+05 2024-05-18 11:10:30,863 INFO [main.py:798]
{rank 0/64} MD step = 241500 step time: 00:00:00.336169 Performance: 28.828 ns/day 0.833 hours/ns 1.668 steps/s 2024-05-18 11:10:37,043 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 90.871 -18922 9959.6 -28882 -28882 3.5859 -0.20361 -1.6333 4.8387e+05 2024-05-18 11:11:12,172 INFO [main.py:798]
{rank 0/64} MD step = 241600 step time: 00:00:00.334496 Performance: 28.832 ns/day 0.832 hours/ns 1.668 steps/s 2024-05-18 11:11:18,640 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 90.235 -19003 9889.9 -28893 -28893 3.5879 -0.20213 -1.6339 4.8407e+05 2024-05-18 11:11:53,710 INFO [main.py:798]
{rank 0/64} MD step = 241700 step time: 00:00:00.333402 Performance: 28.835 ns/day 0.832 hours/ns 1.669 steps/s 2024-05-18 11:12:07,132 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 91.139 -18886 9988.9 -28874 -28874 3.5864 -0.20089 -1.6324 4.8427e+05 2024-05-18 11:12:42,539 INFO [main.py:798]
{rank 0/64} MD step = 241800 step time: 00:00:00.348028 Performance: 28.837 ns/day 0.832 hours/ns 1.669 steps/s 2024-05-18 11:12:51,327 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 89.767 -19148 9838.5 -28987 -28987 3.5877 -0.20014 -1.6306 4.8446e+05 2024-05-18 11:13:25,972 INFO [main.py:798]
{rank 0/64} MD step = 241900 step time: 00:00:00.348898 Performance: 28.841 ns/day 0.832 hours/ns 1.669 steps/s 2024-05-18 11:13:36,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241900 48380 90.28 -18942 9894.8 -28837 -28837 3.5864 -0.19864 -1.6288 4.8469e+05 2024-05-18 11:14:10,662 INFO [main.py:798]
{rank 0/64} MD step = 242000 step time: 00:00:00.351236 Performance: 28.844 ns/day 0.832 hours/ns 1.669 steps/s 2024-05-18 11:14:18,639 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 89.151 -19203 9771 -28974 -28974 3.5859 -0.19761 -1.6264 4.8491e+05 2024-05-18 11:14:53,908 INFO [main.py:798]
{rank 0/64} MD step = 242100 step time: 00:00:00.384123 Performance: 28.847 ns/day 0.832 hours/ns 1.669 steps/s 2024-05-18 11:15:00,815 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 89.264 -19190 9783.4 -28973 -28973 3.5852 -0.19607 -1.6247 4.851e+05 2024-05-18 11:15:36,170 INFO [main.py:798]
{rank 0/64} MD step = 242200 step time: 00:00:00.339339 Performance: 28.851 ns/day 0.832 hours/ns 1.670 steps/s 2024-05-18 11:15:42,776 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 88.848 -19122 9737.9 -28860 -28860 3.584 -0.19584 -1.6243 4.8531e+05 2024-05-18 11:16:17,853 INFO [main.py:798]
{rank 0/64} MD step = 242300 step time: 00:00:00.355232 Performance: 28.854 ns/day 0.832 hours/ns 1.670 steps/s 2024-05-18 11:16:24,265 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 89.865 -19035 9849.3 -28885 -28885 3.5839 -0.19342 -1.6233 4.8552e+05 2024-05-18 11:16:59,660 INFO [main.py:798]
{rank 0/64} MD step = 242400 step time: 00:00:00.373160 Performance: 28.858 ns/day 0.832 hours/ns 1.670 steps/s 2024-05-18 11:17:06,731 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 90.346 -18939 9902 -28841 -28841 3.5844 -0.19342 -1.621 4.8571e+05 2024-05-18 11:17:41,835 INFO [main.py:798]
{rank 0/64} MD step = 242500 step time: 00:00:00.352025 Performance: 28.861 ns/day 0.832 hours/ns 1.670 steps/s 2024-05-18 11:17:48,822 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 89.053 -19291 9760.4 -29051 -29051 3.5861 -0.19277 -1.6196 4.8589e+05 2024-05-18 11:18:23,838 INFO [main.py:798]
{rank 0/64} MD step = 242600 step time: 00:00:00.355707 Performance: 28.865 ns/day 0.831 hours/ns 1.670 steps/s 2024-05-18 11:18:30,021 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 88.676 -19259 9719 -28977 -28977 3.5878 -0.19033 -1.617 4.8612e+05 2024-05-18 11:19:04,703 INFO [main.py:798]
{rank 0/64} MD step = 242700 step time: 00:00:00.360272 Performance: 28.869 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-18 11:19:12,002 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 90.423 -19231 9910.4 -29142 -29142 3.5866 -0.189 -1.6177 4.8629e+05 2024-05-18 11:19:46,582 INFO [main.py:798]
{rank 0/64} MD step = 242800 step time: 00:00:00.345162 Performance: 28.872 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-18 11:19:52,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242800 48560 91.426 -19256 10020 -29276 -29276 3.5879 -0.18785 -1.6179 4.8649e+05 2024-05-18 11:20:26,729 INFO [main.py:798]
{rank 0/64} MD step = 242900 step time: 00:00:00.364301 Performance: 28.876 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-18 11:20:32,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242900 48580 89.406 -19605 9799 -29404 -29404 3.588 -0.18702 -1.6157 4.8666e+05 2024-05-18 11:21:07,210 INFO [main.py:798]
{rank 0/64} MD step = 243000 step time: 00:00:00.364958 Performance: 28.880 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-18 11:21:14,043 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 90.345 -19344 9901.9 -29246 -29246 3.5868 -0.18732 -1.6152 4.869e+05 2024-05-18 11:21:49,073 INFO [main.py:798]
{rank 0/64} MD step = 243100 step time: 00:00:00.353840 Performance: 28.883 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-18 11:21:54,464 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 89.959 -19550 9859.6 -29410 -29410 3.5851 -0.18654 -1.6144 4.8711e+05 2024-05-18 11:22:29,187 INFO [main.py:798]
{rank 0/64} MD step = 243200 step time: 00:00:00.363284 Performance: 28.887 ns/day 0.831 hours/ns 1.672 steps/s 2024-05-18 11:22:35,391 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 88.612 -19288 9711.9 -29000 -29000 3.585 -0.18683 -1.6148 4.8736e+05 2024-05-18 11:23:10,208 INFO [main.py:798]
{rank 0/64} MD step = 243300 step time: 00:00:00.342208 Performance: 28.891 ns/day 0.831 hours/ns 1.672 steps/s 2024-05-18 11:23:16,005 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 91.101 -19265 9984.8 -29250 -29250 3.5862 -0.18677 -1.6154 4.8757e+05 2024-05-18 11:23:52,002 INFO [main.py:798]
{rank 0/64} MD step = 243400 step time: 00:00:00.356762 Performance: 28.895 ns/day 0.831 hours/ns 1.672 steps/s 2024-05-18 11:23:57,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243400 48680 89.769 -19515 9838.8 -29354 -29354 3.5865 -0.18656 -1.6133 4.8777e+05 2024-05-18 11:24:32,348 INFO [main.py:798]
{rank 0/64} MD step = 243500 step time: 00:00:00.348976 Performance: 28.899 ns/day 0.830 hours/ns 1.672 steps/s 2024-05-18 11:24:38,576 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 90.643 -19387 9934.6 -29321 -29321 3.5872 -0.18504 -1.6132 4.8799e+05 2024-05-18 11:25:13,320 INFO [main.py:798]
{rank 0/64} MD step = 243600 step time: 00:00:00.351749 Performance: 28.902 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-18 11:25:19,356 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 90.223 -19115 9888.5 -29003 -29003 3.5877 -0.18237 -1.6126 4.8825e+05 2024-05-18 11:25:53,981 INFO [main.py:798]
{rank 0/64} MD step = 243700 step time: 00:00:00.343161 Performance: 28.906 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-18 11:26:00,432 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 90.812 -19281 9953.1 -29234 -29234 3.5887 -0.18128 -1.6114 4.8845e+05 2024-05-18 11:26:36,113 INFO [main.py:798]
{rank 0/64} MD step = 243800 step time: 00:00:00.355619 Performance: 28.910 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-18 11:26:41,888 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 90.361 -18884 9903.7 -28788 -28788 3.587 -0.17858 -1.6098 4.887e+05 2024-05-18 11:27:16,279 INFO [main.py:798]
{rank 0/64} MD step = 243900 step time: 00:00:00.335734 Performance: 28.913 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-18 11:27:25,168 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 89.299 -19311 9787.3 -29099 -29099 3.589 -0.1785 -1.6091 4.889e+05 2024-05-18 11:28:00,046 INFO [main.py:798]
{rank 0/64} MD step = 244000 step time: 00:00:00.376189 Performance: 28.917 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-18 11:28:05,306 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 88.45 -19307 9694.2 -29001 -29001 3.5886 -0.17764 -1.6089 4.8905e+05 2024-05-18 11:28:39,856 INFO [main.py:798]
{rank 0/64} MD step = 244100 step time: 00:00:00.353227 Performance: 28.921 ns/day 0.830 hours/ns 1.674 steps/s 2024-05-18 11:28:59,037 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 89.128 -19422 9768.6 -29190 -29190 3.5881 -0.17758 -1.6085 4.8923e+05 2024-05-18 11:29:33,497 INFO [main.py:798]
{rank 0/64} MD step = 244200 step time: 00:00:00.354584 Performance: 28.922 ns/day 0.830 hours/ns 1.674 steps/s 2024-05-18 11:29:40,464 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 90.42 -19042 9910.1 -28952 -28952 3.5901 -0.1771 -1.609 4.8944e+05 2024-05-18 11:30:15,787 INFO [main.py:798]
{rank 0/64} MD step = 244300 step time: 00:00:00.365432 Performance: 28.925 ns/day 0.830 hours/ns 1.674 steps/s 2024-05-18 11:30:21,161 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 90.331 -18921 9900.4 -28821 -28821 3.59 -0.17651 -1.6077 4.8967e+05 2024-05-18 11:30:56,777 INFO [main.py:798]
{rank 0/64} MD step = 244400 step time: 00:00:00.388465 Performance: 28.929 ns/day 0.830 hours/ns 1.674 steps/s 2024-05-18 11:31:01,986 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 90.327 -18968 9900 -28868 -28868 3.5896 -0.1751 -1.6091 4.8983e+05 2024-05-18 11:31:37,629 INFO [main.py:798]
{rank 0/64} MD step = 244500 step time: 00:00:00.357217 Performance: 28.933 ns/day 0.830 hours/ns 1.674 steps/s 2024-05-18 11:31:43,061 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 89.286 -19170 9785.9 -28955 -28955 3.589 -0.17393 -1.6073 4.8998e+05 2024-05-18 11:32:17,480 INFO [main.py:798]
{rank 0/64} MD step = 244600 step time: 00:00:00.350414 Performance: 28.937 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-18 11:32:22,414 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 89.346 -19338 9792.5 -29130 -29130 3.5896 -0.17315 -1.6088 4.9019e+05 2024-05-18 11:32:58,374 INFO [main.py:798]
{rank 0/64} MD step = 244700 step time: 00:00:00.378319 Performance: 28.940 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-18 11:33:04,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244700 48940 90.937 -19106 9966.8 -29072 -29072 3.5904 -0.17216 -1.608 4.9038e+05 2024-05-18 11:33:39,233 INFO [main.py:798]
{rank 0/64} MD step = 244800 step time: 00:00:00.342317 Performance: 28.944 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-18 11:33:44,455 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 89.465 -19199 9805.5 -29005 -29005 3.5932 -0.17083 -1.606 4.9058e+05 2024-05-18 11:34:18,799 INFO [main.py:798]
{rank 0/64} MD step = 244900 step time: 00:00:00.346973 Performance: 28.948 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-18 11:34:25,692 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 91.279 -18951 10004 -28956 -28956 3.5945 -0.16806 -1.6057 4.9083e+05 2024-05-18 11:35:00,703 INFO [main.py:798]
{rank 0/64} MD step = 245000 step time: 00:00:00.355932 Performance: 28.952 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-18 11:35:16,001 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 89.902 -19256 9853.4 -29110 -29110 3.5935 -0.16784 -1.6048 4.9101e+05 2024-05-18 11:35:49,996 INFO [main.py:798]
{rank 0/64} MD step = 245100 step time: 00:00:00.350367 Performance: 28.954 ns/day 0.829 hours/ns 1.676 steps/s 2024-05-18 11:35:55,599 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 90.241 -19160 9890.5 -29051 -29051 3.5944 -0.1659 -1.6042 4.9124e+05 2024-05-18 11:36:29,824 INFO [main.py:798]
{rank 0/64} MD step = 245200 step time: 00:00:00.343825 Performance: 28.958 ns/day 0.829 hours/ns 1.676 steps/s 2024-05-18 11:36:34,850 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 88.428 -19191 9691.8 -28883 -28883 3.5955 -0.16538 -1.6036 4.9142e+05 2024-05-18 11:37:09,388 INFO [main.py:798]
{rank 0/64} MD step = 245300 step time: 00:00:00.347022 Performance: 28.962 ns/day 0.829 hours/ns 1.676 steps/s 2024-05-18 11:37:14,488 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 90.717 -19199 9942.6 -29142 -29142 3.5956 -0.16382 -1.6022 4.9159e+05 2024-05-18 11:37:49,056 INFO [main.py:798]
{rank 0/64} MD step = 245400 step time: 00:00:00.352593 Performance: 28.966 ns/day 0.829 hours/ns 1.676 steps/s 2024-05-18 11:37:54,216 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 90 -19359 9864.1 -29223 -29223 3.5947 -0.16207 -1.599 4.918e+05 2024-05-18 11:38:29,360 INFO [main.py:798]
{rank 0/64} MD step = 245500 step time: 00:00:00.341520 Performance: 28.969 ns/day 0.828 hours/ns 1.676 steps/s 2024-05-18 11:38:34,548 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 90.463 -19017 9914.9 -28931 -28931 3.5957 -0.16163 -1.5986 4.9202e+05 2024-05-18 11:39:08,977 INFO [main.py:798]
{rank 0/64} MD step = 245600 step time: 00:00:00.349629 Performance: 28.973 ns/day 0.828 hours/ns 1.677 steps/s 2024-05-18 11:39:14,596 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 89.919 -19130 9855.2 -28986 -28986 3.5962 -0.16089 -1.5987 4.9223e+05 2024-05-18 11:39:48,983 INFO [main.py:798]
{rank 0/64} MD step = 245700 step time: 00:00:00.352630 Performance: 28.977 ns/day 0.828 hours/ns 1.677 steps/s 2024-05-18 11:39:53,901 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 89.706 -19293 9831.9 -29125 -29125 3.5961 -0.16142 -1.5983 4.9239e+05 2024-05-18 11:40:29,007 INFO [main.py:798]
{rank 0/64} MD step = 245800 step time: 00:00:00.345513 Performance: 28.981 ns/day 0.828 hours/ns 1.677 steps/s 2024-05-18 11:40:34,634 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 89.085 -19342 9763.9 -29106 -29106 3.5971 -0.16245 -1.5952 4.926e+05 2024-05-18 11:41:08,864 INFO [main.py:798]
{rank 0/64} MD step = 245900 step time: 00:00:00.361236 Performance: 28.985 ns/day 0.828 hours/ns 1.677 steps/s 2024-05-18 11:41:14,403 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 90.622 -19317 9932.3 -29250 -29250 3.5968 -0.1621 -1.5963 4.9275e+05 2024-05-18 11:41:49,272 INFO [main.py:798]
{rank 0/64} MD step = 246000 step time: 00:00:00.342410 Performance: 28.989 ns/day 0.828 hours/ns 1.678 steps/s 2024-05-18 11:41:54,510 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 91.011 -18984 9975 -28959 -28959 3.5974 -0.16169 -1.5957 4.9298e+05 2024-05-18 11:42:28,782 INFO [main.py:798]
{rank 0/64} MD step = 246100 step time: 00:00:00.380349 Performance: 28.993 ns/day 0.828 hours/ns 1.678 steps/s 2024-05-18 11:42:34,342 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 89.855 -19285 9848.2 -29134 -29134 3.5969 -0.16026 -1.5933 4.9315e+05 2024-05-18 11:43:09,580 INFO [main.py:798]
{rank 0/64} MD step = 246200 step time: 00:00:00.359721 Performance: 28.996 ns/day 0.828 hours/ns 1.678 steps/s 2024-05-18 11:43:15,251 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 89.21 -19025 9777.6 -28803 -28803 3.5972 -0.15746 -1.5908 4.9335e+05 2024-05-18 11:43:51,206 INFO [main.py:798]
{rank 0/64} MD step = 246300 step time: 00:00:00.382929 Performance: 29.000 ns/day 0.828 hours/ns 1.678 steps/s 2024-05-18 11:43:56,484 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 91.724 -18950 10053 -29003 -29003 3.5975 -0.15747 -1.5905 4.9354e+05 2024-05-18 11:44:31,089 INFO [main.py:798]
{rank 0/64} MD step = 246400 step time: 00:00:00.346720 Performance: 29.004 ns/day 0.827 hours/ns 1.678 steps/s 2024-05-18 11:44:35,986 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 89.084 -19211 9763.7 -28975 -28975 3.5977 -0.15784 -1.5915 4.9374e+05 2024-05-18 11:45:12,279 INFO [main.py:798]
{rank 0/64} MD step = 246500 step time: 00:00:00.360822 Performance: 29.008 ns/day 0.827 hours/ns 1.679 steps/s 2024-05-18 11:45:17,711 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 89.389 -19059 9797.2 -28856 -28856 3.5977 -0.15743 -1.5904 4.9395e+05 2024-05-18 11:45:52,471 INFO [main.py:798]
{rank 0/64} MD step = 246600 step time: 00:00:00.349445 Performance: 29.011 ns/day 0.827 hours/ns 1.679 steps/s 2024-05-18 11:45:56,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 49320 90.001 -19268 9864.2 -29132 -29132 3.5987 -0.15668 -1.5906 4.941e+05 2024-05-18 11:46:32,649 INFO [main.py:798]
{rank 0/64} MD step = 246700 step time: 00:00:00.351601 Performance: 29.015 ns/day 0.827 hours/ns 1.679 steps/s 2024-05-18 11:46:37,362 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 89.997 -19244 9863.8 -29108 -29108 3.5986 -0.15521 -1.5904 4.9431e+05 2024-05-18 11:47:12,211 INFO [main.py:798]
{rank 0/64} MD step = 246800 step time: 00:00:00.351479 Performance: 29.019 ns/day 0.827 hours/ns 1.679 steps/s 2024-05-18 11:47:17,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246800 49360 88.947 -19444 9748.7 -29193 -29193 3.597 -0.15368 -1.5883 4.9452e+05 2024-05-18 11:47:52,031 INFO [main.py:798]
{rank 0/64} MD step = 246900 step time: 00:00:00.343576 Performance: 29.023 ns/day 0.827 hours/ns 1.680 steps/s 2024-05-18 11:47:57,496 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 90.134 -19473 9878.8 -29352 -29352 3.5983 -0.1517 -1.5877 4.9468e+05 2024-05-18 11:48:32,311 INFO [main.py:798]
{rank 0/64} MD step = 247000 step time: 00:00:00.359578 Performance: 29.027 ns/day 0.827 hours/ns 1.680 steps/s 2024-05-18 11:48:38,527 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 92.115 -19100 10096 -29196 -29196 3.5993 -0.15131 -1.5876 4.9491e+05 2024-05-18 11:49:14,918 INFO [main.py:798]
{rank 0/64} MD step = 247100 step time: 00:00:00.333942 Performance: 29.030 ns/day 0.827 hours/ns 1.680 steps/s 2024-05-18 11:49:19,865 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 90.362 -19178 9903.8 -29082 -29082 3.5996 -0.15096 -1.5881 4.9512e+05 2024-05-18 11:49:54,861 INFO [main.py:798]
{rank 0/64} MD step = 247200 step time: 00:00:00.340400 Performance: 29.034 ns/day 0.827 hours/ns 1.680 steps/s 2024-05-18 11:49:59,587 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 88.718 -19382 9723.7 -29106 -29106 3.5995 -0.14924 -1.5876 4.9532e+05 2024-05-18 11:50:34,350 INFO [main.py:798]
{rank 0/64} MD step = 247300 step time: 00:00:00.342684 Performance: 29.038 ns/day 0.827 hours/ns 1.680 steps/s 2024-05-18 11:50:39,962 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 88.846 -19345 9737.6 -29082 -29082 3.5997 -0.14761 -1.5876 4.9551e+05 2024-05-18 11:51:14,737 INFO [main.py:798]
{rank 0/64} MD step = 247400 step time: 00:00:00.351169 Performance: 29.042 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-18 11:51:19,420 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 87.307 -19355 9568.9 -28923 -28923 3.601 -0.14707 -1.5873 4.9576e+05 2024-05-18 11:51:54,179 INFO [main.py:798]
{rank 0/64} MD step = 247500 step time: 00:00:00.329147 Performance: 29.046 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-18 11:51:59,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247500 49500 90.688 -19209 9939.5 -29149 -29149 3.6007 -0.14525 -1.5872 4.9591e+05 2024-05-18 11:52:34,625 INFO [main.py:798]
{rank 0/64} MD step = 247600 step time: 00:00:00.328341 Performance: 29.050 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-18 11:52:44,965 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 91 -19166 9973.7 -29139 -29139 3.6014 -0.14427 -1.5864 4.9607e+05 2024-05-18 11:53:19,635 INFO [main.py:798]
{rank 0/64} MD step = 247700 step time: 00:00:00.350090 Performance: 29.052 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-18 11:53:26,144 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 87.663 -19436 9607.9 -29044 -29044 3.6036 -0.1434 -1.5865 4.9626e+05 2024-05-18 11:54:02,844 INFO [main.py:798]
{rank 0/64} MD step = 247800 step time: 00:00:00.371114 Performance: 29.056 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-18 11:54:10,494 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 89.241 -19350 9780.9 -29131 -29131 3.6044 -0.14309 -1.5856 4.9638e+05 2024-05-18 11:54:45,166 INFO [main.py:798]
{rank 0/64} MD step = 247900 step time: 00:00:00.346575 Performance: 29.059 ns/day 0.826 hours/ns 1.682 steps/s 2024-05-18 11:54:51,741 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 90.139 -19208 9879.4 -29087 -29087 3.6052 -0.1418 -1.586 4.9661e+05 2024-05-18 11:55:27,315 INFO [main.py:798]
{rank 0/64} MD step = 248000 step time: 00:00:00.372610 Performance: 29.062 ns/day 0.826 hours/ns 1.682 steps/s 2024-05-18 11:55:37,504 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 89.807 -19270 9842.9 -29113 -29113 3.6038 -0.14083 -1.5868 4.968e+05 2024-05-18 11:56:13,637 INFO [main.py:798]
{rank 0/64} MD step = 248100 step time: 00:00:00.352420 Performance: 29.065 ns/day 0.826 hours/ns 1.682 steps/s 2024-05-18 11:56:20,996 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 88.875 -19268 9740.8 -29008 -29008 3.605 -0.14106 -1.5861 4.9702e+05 2024-05-18 11:56:55,669 INFO [main.py:798]
{rank 0/64} MD step = 248200 step time: 00:00:00.331399 Performance: 29.068 ns/day 0.826 hours/ns 1.682 steps/s 2024-05-18 11:57:03,268 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 89.716 -19258 9833 -29091 -29091 3.6051 -0.14219 -1.5873 4.972e+05 2024-05-18 11:57:38,090 INFO [main.py:798]
{rank 0/64} MD step = 248300 step time: 00:00:00.332371 Performance: 29.072 ns/day 0.826 hours/ns 1.682 steps/s 2024-05-18 11:57:49,245 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 90.095 -19186 9874.6 -29061 -29061 3.6058 -0.14138 -1.5873 4.9735e+05 2024-05-18 11:58:24,418 INFO [main.py:798]
{rank 0/64} MD step = 248400 step time: 00:00:00.349219 Performance: 29.074 ns/day 0.825 hours/ns 1.683 steps/s 2024-05-18 11:58:30,582 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 90.359 -19127 9903.5 -29030 -29030 3.608 -0.14078 -1.5869 4.9756e+05 2024-05-18 11:59:07,166 INFO [main.py:798]
{rank 0/64} MD step = 248500 step time: 00:00:00.350244 Performance: 29.078 ns/day 0.825 hours/ns 1.683 steps/s 2024-05-18 11:59:15,818 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 89.586 -19265 9818.8 -29084 -29084 3.6084 -0.14049 -1.5844 4.9775e+05 2024-05-18 11:59:51,301 INFO [main.py:798]
{rank 0/64} MD step = 248600 step time: 00:00:00.354896 Performance: 29.081 ns/day 0.825 hours/ns 1.683 steps/s 2024-05-18 11:59:57,312 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 90.424 -19292 9910.5 -29202 -29202 3.6075 -0.14199 -1.5821 4.9791e+05 2024-05-18 12:00:32,622 INFO [main.py:798]
{rank 0/64} MD step = 248700 step time: 00:00:00.378189 Performance: 29.084 ns/day 0.825 hours/ns 1.683 steps/s 2024-05-18 12:00:38,154 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 88.411 -19362 9689.9 -29052 -29052 3.6067 -0.13936 -1.581 4.9807e+05 2024-05-18 12:01:12,665 INFO [main.py:798]
{rank 0/64} MD step = 248800 step time: 00:00:00.341066 Performance: 29.088 ns/day 0.825 hours/ns 1.683 steps/s 2024-05-18 12:01:17,699 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 90.6 -19217 9929.9 -29147 -29147 3.607 -0.13894 -1.5809 4.9824e+05 2024-05-18 12:01:53,210 INFO [main.py:798]
{rank 0/64} MD step = 248900 step time: 00:00:00.359248 Performance: 29.092 ns/day 0.825 hours/ns 1.684 steps/s 2024-05-18 12:01:58,187 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 89.895 -19077 9852.6 -28929 -28929 3.6076 -0.13821 -1.5794 4.9847e+05 2024-05-18 12:02:33,232 INFO [main.py:798]
{rank 0/64} MD step = 249000 step time: 00:00:00.346110 Performance: 29.096 ns/day 0.825 hours/ns 1.684 steps/s 2024-05-18 12:02:38,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249000 49800 88.883 -19226 9741.6 -28968 -28968 3.6077 -0.13871 -1.5766 4.9866e+05 2024-05-18 12:03:14,398 INFO [main.py:798]
{rank 0/64} MD step = 249100 step time: 00:00:00.334365 Performance: 29.099 ns/day 0.825 hours/ns 1.684 steps/s 2024-05-18 12:03:22,043 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 90.628 -19158 9933 -29091 -29091 3.6072 -0.13999 -1.5761 4.9887e+05 2024-05-18 12:03:57,685 INFO [main.py:798]
{rank 0/64} MD step = 249200 step time: 00:00:00.344210 Performance: 29.102 ns/day 0.825 hours/ns 1.684 steps/s 2024-05-18 12:04:03,138 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 89.299 -19264 9787.2 -29051 -29051 3.6072 -0.14008 -1.5764 4.9907e+05 2024-05-18 12:04:37,623 INFO [main.py:798]
{rank 0/64} MD step = 249300 step time: 00:00:00.335886 Performance: 29.106 ns/day 0.825 hours/ns 1.684 steps/s 2024-05-18 12:04:43,352 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 90.125 -19045 9877.8 -28923 -28923 3.6092 -0.14042 -1.5758 4.993e+05 2024-05-18 12:05:19,265 INFO [main.py:798]
{rank 0/64} MD step = 249400 step time: 00:00:00.346062 Performance: 29.110 ns/day 0.824 hours/ns 1.685 steps/s 2024-05-18 12:05:24,684 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 90.827 -19277 9954.7 -29232 -29232 3.609 -0.1394 -1.5747 4.994e+05 2024-05-18 12:06:01,561 INFO [main.py:798]
{rank 0/64} MD step = 249500 step time: 00:00:00.335061 Performance: 29.113 ns/day 0.824 hours/ns 1.685 steps/s 2024-05-18 12:06:07,194 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 89.17 -19243 9773.1 -29016 -29016 3.6088 -0.13759 -1.5746 4.9964e+05 2024-05-18 12:06:41,529 INFO [main.py:798]
{rank 0/64} MD step = 249600 step time: 00:00:00.330175 Performance: 29.117 ns/day 0.824 hours/ns 1.685 steps/s 2024-05-18 12:06:47,132 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 90.559 -18973 9925.3 -28899 -28899 3.6086 -0.13721 -1.5739 4.9985e+05 2024-05-18 12:07:24,120 INFO [main.py:798]
{rank 0/64} MD step = 249700 step time: 00:00:00.326682 Performance: 29.120 ns/day 0.824 hours/ns 1.685 steps/s 2024-05-18 12:07:29,426 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 90.073 -19038 9872.1 -28910 -28910 3.6089 -0.13624 -1.5749 5.0004e+05 2024-05-18 12:08:04,393 INFO [main.py:798]
{rank 0/64} MD step = 249800 step time: 00:00:00.341043 Performance: 29.124 ns/day 0.824 hours/ns 1.685 steps/s 2024-05-18 12:08:09,927 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 89.826 -19040 9845.1 -28885 -28885 3.6084 -0.13635 -1.5738 5.0031e+05 2024-05-18 12:08:44,885 INFO [main.py:798]
{rank 0/64} MD step = 249900 step time: 00:00:00.353194 Performance: 29.127 ns/day 0.824 hours/ns 1.686 steps/s 2024-05-18 12:08:51,013 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 89.366 -19246 9794.7 -29041 -29041 3.6093 -0.13715 -1.5735 5.0047e+05 2024-05-18 12:09:25,370 INFO [main.py:798]
{rank 0/64} MD step = 250000 step time: 00:00:00.335434 Performance: 29.131 ns/day 0.824 hours/ns 1.686 steps/s 2024-05-18 12:09:30,814 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 89.295 -19172 9786.8 -28959 -28959 3.61 -0.13606 -1.5718 5.0065e+05 2024-05-18 12:10:05,356 INFO [main.py:798]
{rank 0/64} MD step = 250100 step time: 00:00:00.346340 Performance: 29.135 ns/day 0.824 hours/ns 1.686 steps/s 2024-05-18 12:10:10,616 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 89.499 -19190 9809.2 -28999 -28999 3.6098 -0.13486 -1.5706 5.0087e+05 2024-05-18 12:10:45,233 INFO [main.py:798]
{rank 0/64} MD step = 250200 step time: 00:00:00.357609 Performance: 29.139 ns/day 0.824 hours/ns 1.686 steps/s 2024-05-18 12:10:48,992 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 90.848 -18975 9957.1 -28932 -28932 3.6082 -0.1354 -1.5705 5.0107e+05 2024-05-18 12:11:25,160 INFO [main.py:798]
{rank 0/64} MD step = 250300 step time: 00:00:00.351834 Performance: 29.143 ns/day 0.824 hours/ns 1.686 steps/s 2024-05-18 12:11:31,377 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 89.102 -19025 9765.7 -28791 -28791 3.6083 -0.13566 -1.5698 5.0126e+05 2024-05-18 12:12:06,215 INFO [main.py:798]
{rank 0/64} MD step = 250400 step time: 00:00:00.351653 Performance: 29.146 ns/day 0.823 hours/ns 1.687 steps/s 2024-05-18 12:12:12,563 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 90.034 -18985 9867.9 -28853 -28853 3.6081 -0.13517 -1.5688 5.0144e+05 2024-05-18 12:12:47,361 INFO [main.py:798]
{rank 0/64} MD step = 250500 step time: 00:00:00.358405 Performance: 29.150 ns/day 0.823 hours/ns 1.687 steps/s 2024-05-18 12:13:09,723 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 89.288 -19157 9786.1 -28943 -28943 3.6079 -0.13301 -1.5674 5.0165e+05 2024-05-18 12:13:44,269 INFO [main.py:798]
{rank 0/64} MD step = 250600 step time: 00:00:00.365130 Performance: 29.150 ns/day 0.823 hours/ns 1.687 steps/s 2024-05-18 12:13:52,933 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 88.864 -19256 9739.7 -28996 -28996 3.6061 -0.13226 -1.5678 5.0186e+05 2024-05-18 12:14:27,195 INFO [main.py:798]
{rank 0/64} MD step = 250700 step time: 00:00:00.359538 Performance: 29.153 ns/day 0.823 hours/ns 1.687 steps/s 2024-05-18 12:14:33,103 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 89.857 -19069 9848.4 -28917 -28917 3.6079 -0.13166 -1.5686 5.0206e+05 2024-05-18 12:15:06,915 INFO [main.py:798]
{rank 0/64} MD step = 250800 step time: 00:00:00.343120 Performance: 29.157 ns/day 0.823 hours/ns 1.687 steps/s 2024-05-18 12:15:13,174 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 90.254 -19066 9892 -28958 -28958 3.6071 -0.13136 -1.5686 5.0225e+05 2024-05-18 12:15:47,722 INFO [main.py:798]
{rank 0/64} MD step = 250900 step time: 00:00:00.336153 Performance: 29.161 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 12:15:54,014 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 91.162 -18978 9991.5 -28970 -28970 3.606 -0.13214 -1.5669 5.0244e+05 2024-05-18 12:16:28,840 INFO [main.py:798]
{rank 0/64} MD step = 251000 step time: 00:00:00.347354 Performance: 29.164 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 12:16:35,007 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 89.743 -19293 9835.9 -29129 -29129 3.6048 -0.13137 -1.5647 5.0263e+05 2024-05-18 12:17:09,387 INFO [main.py:798]
{rank 0/64} MD step = 251100 step time: 00:00:00.351612 Performance: 29.168 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 12:17:31,547 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 89.66 -19267 9826.8 -29094 -29094 3.6023 -0.13003 -1.5639 5.0282e+05 2024-05-18 12:18:08,120 INFO [main.py:798]
{rank 0/64} MD step = 251200 step time: 00:00:00.355714 Performance: 29.168 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 12:18:14,502 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 88.765 -19180 9728.7 -28908 -28908 3.6018 -0.12816 -1.5634 5.0304e+05 2024-05-18 12:18:50,777 INFO [main.py:798]
{rank 0/64} MD step = 251300 step time: 00:00:00.328314 Performance: 29.171 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 12:19:24,023 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 89.687 -19218 9829.8 -29048 -29048 3.6024 -0.12831 -1.562 5.0322e+05 2024-05-18 12:20:01,056 INFO [main.py:798]
{rank 0/64} MD step = 251400 step time: 00:00:00.354301 Performance: 29.169 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 12:20:10,111 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 89.567 -18996 9816.6 -28812 -28812 3.6031 -0.12578 -1.5617 5.0343e+05 2024-05-18 12:20:45,207 INFO [main.py:798]
{rank 0/64} MD step = 251500 step time: 00:00:00.388992 Performance: 29.172 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 12:20:50,261 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 90.033 -19196 9867.8 -29064 -29064 3.6021 -0.12517 -1.5615 5.0367e+05 2024-05-18 12:21:26,681 INFO [main.py:798]
{rank 0/64} MD step = 251600 step time: 00:00:00.365073 Performance: 29.176 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 12:21:32,561 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 89.856 -19407 9848.4 -29255 -29255 3.603 -0.12371 -1.5595 5.0384e+05 2024-05-18 12:22:07,470 INFO [main.py:798]
{rank 0/64} MD step = 251700 step time: 00:00:00.348315 Performance: 29.179 ns/day 0.823 hours/ns 1.689 steps/s 2024-05-18 12:22:15,748 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 88.561 -19384 9706.4 -29091 -29091 3.6033 -0.12283 -1.5588 5.0405e+05 2024-05-18 12:22:50,360 INFO [main.py:798]
{rank 0/64} MD step = 251800 step time: 00:00:00.366779 Performance: 29.183 ns/day 0.822 hours/ns 1.689 steps/s 2024-05-18 12:22:58,596 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 90.946 -19235 9967.8 -29203 -29203 3.6046 -0.12244 -1.5584 5.0419e+05 2024-05-18 12:23:33,872 INFO [main.py:798]
{rank 0/64} MD step = 251900 step time: 00:00:00.349637 Performance: 29.186 ns/day 0.822 hours/ns 1.689 steps/s 2024-05-18 12:23:39,557 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 90.271 -19035 9893.8 -28928 -28928 3.6055 -0.11982 -1.5568 5.0441e+05 2024-05-18 12:24:14,708 INFO [main.py:798]
{rank 0/64} MD step = 252000 step time: 00:00:00.348641 Performance: 29.189 ns/day 0.822 hours/ns 1.689 steps/s 2024-05-18 12:24:21,563 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 88.25 -19337 9672.3 -29009 -29009 3.6045 -0.11806 -1.5564 5.0462e+05 2024-05-18 12:24:57,532 INFO [main.py:798]
{rank 0/64} MD step = 252100 step time: 00:00:00.379290 Performance: 29.192 ns/day 0.822 hours/ns 1.689 steps/s 2024-05-18 12:25:03,328 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 89.773 -19305 9839.2 -29144 -29144 3.6049 -0.11864 -1.554 5.0481e+05 2024-05-18 12:25:37,812 INFO [main.py:798]
{rank 0/64} MD step = 252200 step time: 00:00:00.346584 Performance: 29.196 ns/day 0.822 hours/ns 1.690 steps/s 2024-05-18 12:25:43,492 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 89.456 -19123 9804.5 -28927 -28927 3.6052 -0.11753 -1.553 5.0502e+05 2024-05-18 12:26:18,610 INFO [main.py:798]
{rank 0/64} MD step = 252300 step time: 00:00:00.350799 Performance: 29.200 ns/day 0.822 hours/ns 1.690 steps/s 2024-05-18 12:26:36,463 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 89.97 -18864 9860.8 -28724 -28724 3.6059 -0.11595 -1.5539 5.0526e+05 2024-05-18 12:27:11,450 INFO [main.py:798]
{rank 0/64} MD step = 252400 step time: 00:00:00.347103 Performance: 29.201 ns/day 0.822 hours/ns 1.690 steps/s 2024-05-18 12:27:17,223 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 89.31 -19022 9788.5 -28811 -28811 3.6054 -0.11467 -1.5525 5.0542e+05 2024-05-18 12:27:51,735 INFO [main.py:798]
{rank 0/64} MD step = 252500 step time: 00:00:00.364486 Performance: 29.205 ns/day 0.822 hours/ns 1.690 steps/s 2024-05-18 12:27:58,261 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 89.678 -19275 9828.8 -29104 -29104 3.6037 -0.11317 -1.5517 5.0561e+05 2024-05-18 12:28:32,710 INFO [main.py:798]
{rank 0/64} MD step = 252600 step time: 00:00:00.343705 Performance: 29.208 ns/day 0.822 hours/ns 1.690 steps/s 2024-05-18 12:28:37,895 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 90.46 -19227 9914.6 -29142 -29142 3.6045 -0.11153 -1.5503 5.0578e+05 2024-05-18 12:29:12,766 INFO [main.py:798]
{rank 0/64} MD step = 252700 step time: 00:00:00.356551 Performance: 29.212 ns/day 0.822 hours/ns 1.691 steps/s 2024-05-18 12:29:21,514 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 90.244 -19097 9890.9 -28987 -28987 3.604 -0.11071 -1.5509 5.06e+05 2024-05-18 12:29:56,884 INFO [main.py:798]
{rank 0/64} MD step = 252800 step time: 00:00:00.376767 Performance: 29.215 ns/day 0.822 hours/ns 1.691 steps/s 2024-05-18 12:30:03,308 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 88.604 -19367 9711.1 -29078 -29078 3.6031 -0.11036 -1.5507 5.062e+05 2024-05-18 12:30:38,291 INFO [main.py:798]
{rank 0/64} MD step = 252900 step time: 00:00:00.336476 Performance: 29.218 ns/day 0.821 hours/ns 1.691 steps/s 2024-05-18 12:30:43,850 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 90.662 -19046 9936.7 -28982 -28982 3.6052 -0.10858 -1.5527 5.0639e+05 2024-05-18 12:31:18,601 INFO [main.py:798]
{rank 0/64} MD step = 253000 step time: 00:00:00.355638 Performance: 29.222 ns/day 0.821 hours/ns 1.691 steps/s 2024-05-18 12:31:26,035 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 91.739 -18842 10055 -28897 -28897 3.6061 -0.10701 -1.5525 5.0661e+05 2024-05-18 12:32:01,200 INFO [main.py:798]
{rank 0/64} MD step = 253100 step time: 00:00:00.349821 Performance: 29.225 ns/day 0.821 hours/ns 1.691 steps/s 2024-05-18 12:32:07,428 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 90.043 -18914 9868.8 -28782 -28782 3.6062 -0.10604 -1.5517 5.0682e+05 2024-05-18 12:32:42,316 INFO [main.py:798]
{rank 0/64} MD step = 253200 step time: 00:00:00.349517 Performance: 29.229 ns/day 0.821 hours/ns 1.691 steps/s 2024-05-18 12:32:47,385 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 89.719 -18940 9833.3 -28774 -28774 3.6077 -0.1023 -1.551 5.0705e+05 2024-05-18 12:33:22,243 INFO [main.py:798]
{rank 0/64} MD step = 253300 step time: 00:00:00.354364 Performance: 29.232 ns/day 0.821 hours/ns 1.692 steps/s 2024-05-18 12:33:27,710 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 90.76 -18903 9947.4 -28851 -28851 3.6086 -0.10006 -1.5504 5.0725e+05 2024-05-18 12:34:02,310 INFO [main.py:798]
{rank 0/64} MD step = 253400 step time: 00:00:00.343865 Performance: 29.236 ns/day 0.821 hours/ns 1.692 steps/s 2024-05-18 12:34:06,639 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 91.035 -18664 9977.6 -28641 -28641 3.6097 -0.099434 -1.5509 5.0745e+05 2024-05-18 12:34:41,170 INFO [main.py:798]
{rank 0/64} MD step = 253500 step time: 00:00:00.338892 Performance: 29.240 ns/day 0.821 hours/ns 1.692 steps/s 2024-05-18 12:34:46,536 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 89.847 -19047 9847.4 -28894 -28894 3.61 -0.098844 -1.5521 5.0763e+05 2024-05-18 12:35:21,356 INFO [main.py:798]
{rank 0/64} MD step = 253600 step time: 00:00:00.376226 Performance: 29.244 ns/day 0.821 hours/ns 1.692 steps/s 2024-05-18 12:35:26,668 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 89.863 -19034 9849.1 -28883 -28883 3.6117 -0.096805 -1.5514 5.0785e+05 2024-05-18 12:36:01,524 INFO [main.py:798]
{rank 0/64} MD step = 253700 step time: 00:00:00.345331 Performance: 29.248 ns/day 0.821 hours/ns 1.693 steps/s 2024-05-18 12:36:06,472 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 89.839 -18994 9846.4 -28840 -28840 3.6132 -0.09532 -1.5506 5.0801e+05 2024-05-18 12:36:42,559 INFO [main.py:798]
{rank 0/64} MD step = 253800 step time: 00:00:00.341584 Performance: 29.251 ns/day 0.820 hours/ns 1.693 steps/s 2024-05-18 12:36:48,669 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 89.344 -19028 9792.2 -28821 -28821 3.6134 -0.094443 -1.5502 5.0823e+05 2024-05-18 12:37:23,687 INFO [main.py:798]
{rank 0/64} MD step = 253900 step time: 00:00:00.375885 Performance: 29.255 ns/day 0.820 hours/ns 1.693 steps/s 2024-05-18 12:37:30,929 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 90.057 -19052 9870.4 -28923 -28923 3.6135 -0.094224 -1.5492 5.0841e+05 2024-05-18 12:38:06,628 INFO [main.py:798]
{rank 0/64} MD step = 254000 step time: 00:00:00.353693 Performance: 29.258 ns/day 0.820 hours/ns 1.693 steps/s 2024-05-18 12:38:12,286 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 90.07 -19100 9871.8 -28972 -28972 3.6133 -0.092824 -1.5472 5.086e+05 2024-05-18 12:38:46,941 INFO [main.py:798]
{rank 0/64} MD step = 254100 step time: 00:00:00.357296 Performance: 29.261 ns/day 0.820 hours/ns 1.693 steps/s 2024-05-18 12:38:53,120 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 88.778 -19079 9730.1 -28809 -28809 3.6121 -0.089643 -1.5455 5.0884e+05 2024-05-18 12:39:28,883 INFO [main.py:798]
{rank 0/64} MD step = 254200 step time: 00:00:00.379794 Performance: 29.265 ns/day 0.820 hours/ns 1.694 steps/s 2024-05-18 12:39:35,506 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 88.737 -19145 9725.7 -28871 -28871 3.6116 -0.089243 -1.5448 5.0902e+05 2024-05-18 12:40:10,204 INFO [main.py:798]
{rank 0/64} MD step = 254300 step time: 00:00:00.341281 Performance: 29.268 ns/day 0.820 hours/ns 1.694 steps/s 2024-05-18 12:40:16,924 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 90.507 -19005 9919.6 -28925 -28925 3.6128 -0.088386 -1.5426 5.092e+05 2024-05-18 12:40:52,063 INFO [main.py:798]
{rank 0/64} MD step = 254400 step time: 00:00:00.355733 Performance: 29.271 ns/day 0.820 hours/ns 1.694 steps/s 2024-05-18 12:40:59,506 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 91.91 -18774 10073 -28848 -28848 3.6144 -0.087538 -1.5431 5.0945e+05 2024-05-18 12:41:34,126 INFO [main.py:798]
{rank 0/64} MD step = 254500 step time: 00:00:00.354735 Performance: 29.275 ns/day 0.820 hours/ns 1.694 steps/s 2024-05-18 12:41:40,243 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 89.743 -18927 9836 -28763 -28763 3.6165 -0.086729 -1.5419 5.0963e+05 2024-05-18 12:42:14,457 INFO [main.py:798]
{rank 0/64} MD step = 254600 step time: 00:00:00.334102 Performance: 29.278 ns/day 0.820 hours/ns 1.694 steps/s 2024-05-18 12:42:20,042 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 91.498 -18880 10028 -28908 -28908 3.6152 -0.085186 -1.5403 5.098e+05 2024-05-18 12:42:55,342 INFO [main.py:798]
{rank 0/64} MD step = 254700 step time: 00:00:00.346782 Performance: 29.282 ns/day 0.820 hours/ns 1.695 steps/s 2024-05-18 12:43:04,533 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 89.56 -18915 9815.9 -28731 -28731 3.6167 -0.0857 -1.5402 5.1001e+05 2024-05-18 12:43:41,917 INFO [main.py:798]
{rank 0/64} MD step = 254800 step time: 00:00:00.377649 Performance: 29.284 ns/day 0.820 hours/ns 1.695 steps/s 2024-05-18 12:43:47,710 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 88.916 -19034 9745.3 -28779 -28779 3.6166 -0.083357 -1.5374 5.1018e+05 2024-05-18 12:44:23,791 INFO [main.py:798]
{rank 0/64} MD step = 254900 step time: 00:00:00.355595 Performance: 29.288 ns/day 0.819 hours/ns 1.695 steps/s 2024-05-18 12:44:31,605 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 89.635 -18708 9824.1 -28532 -28532 3.6175 -0.082157 -1.5367 5.1045e+05 2024-05-18 12:45:07,992 INFO [main.py:798]
{rank 0/64} MD step = 255000 step time: 00:00:00.376614 Performance: 29.291 ns/day 0.819 hours/ns 1.695 steps/s 2024-05-18 12:45:14,671 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 90.691 -18762 9939.8 -28701 -28701 3.6191 -0.080462 -1.5356 5.106e+05 2024-05-18 12:45:50,201 INFO [main.py:798]
{rank 0/64} MD step = 255100 step time: 00:00:00.346508 Performance: 29.294 ns/day 0.819 hours/ns 1.695 steps/s 2024-05-18 12:45:56,315 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 90.099 -18890 9874.9 -28765 -28765 3.6211 -0.080309 -1.5345 5.108e+05 2024-05-18 12:46:30,328 INFO [main.py:798]
{rank 0/64} MD step = 255200 step time: 00:00:00.345753 Performance: 29.298 ns/day 0.819 hours/ns 1.695 steps/s 2024-05-18 12:46:38,177 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 91.182 -18793 9993.7 -28786 -28786 3.623 -0.078938 -1.533 5.11e+05 2024-05-18 12:47:12,415 INFO [main.py:798]
{rank 0/64} MD step = 255300 step time: 00:00:00.351029 Performance: 29.301 ns/day 0.819 hours/ns 1.696 steps/s 2024-05-18 12:47:22,272 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 91.148 -18851 9990 -28841 -28841 3.6236 -0.078938 -1.5328 5.1119e+05 2024-05-18 12:47:57,310 INFO [main.py:798]
{rank 0/64} MD step = 255400 step time: 00:00:00.353780 Performance: 29.304 ns/day 0.819 hours/ns 1.696 steps/s 2024-05-18 12:48:03,626 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 89.103 -19149 9765.8 -28915 -28915 3.6251 -0.078909 -1.5314 5.1139e+05 2024-05-18 12:48:38,036 INFO [main.py:798]
{rank 0/64} MD step = 255500 step time: 00:00:00.357501 Performance: 29.307 ns/day 0.819 hours/ns 1.696 steps/s 2024-05-18 12:48:43,960 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 89.612 -19184 9821.6 -29006 -29006 3.6255 -0.076138 -1.5316 5.1158e+05 2024-05-18 12:49:18,667 INFO [main.py:798]
{rank 0/64} MD step = 255600 step time: 00:00:00.358183 Performance: 29.311 ns/day 0.819 hours/ns 1.696 steps/s 2024-05-18 12:49:28,371 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 89.112 -19176 9766.8 -28943 -28943 3.6258 -0.075757 -1.5318 5.1178e+05 2024-05-18 12:50:02,644 INFO [main.py:798]
{rank 0/64} MD step = 255700 step time: 00:00:00.339796 Performance: 29.314 ns/day 0.819 hours/ns 1.696 steps/s 2024-05-18 12:50:09,080 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 89.295 -19362 9786.8 -29149 -29149 3.6264 -0.074709 -1.5307 5.1197e+05 2024-05-18 12:50:44,200 INFO [main.py:798]
{rank 0/64} MD step = 255800 step time: 00:00:00.355381 Performance: 29.317 ns/day 0.819 hours/ns 1.697 steps/s 2024-05-18 12:50:51,082 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 91.215 -19094 9997.3 -29091 -29091 3.6277 -0.073185 -1.5308 5.1217e+05 2024-05-18 12:51:25,796 INFO [main.py:798]
{rank 0/64} MD step = 255900 step time: 00:00:00.351088 Performance: 29.320 ns/day 0.819 hours/ns 1.697 steps/s 2024-05-18 12:51:32,201 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 90.331 -19070 9900.4 -28970 -28970 3.6288 -0.07128 -1.5306 5.1236e+05 2024-05-18 12:52:07,365 INFO [main.py:798]
{rank 0/64} MD step = 256000 step time: 00:00:00.348719 Performance: 29.324 ns/day 0.818 hours/ns 1.697 steps/s 2024-05-18 12:52:13,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256000 51200 89.656 -19285 9826.4 -29111 -29111 3.63 -0.069356 -1.5294 5.1255e+05 2024-05-18 12:52:48,746 INFO [main.py:798]
{rank 0/64} MD step = 256100 step time: 00:00:00.343626 Performance: 29.327 ns/day 0.818 hours/ns 1.697 steps/s 2024-05-18 12:52:55,519 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 90.639 -18961 9934.1 -28896 -28896 3.6313 -0.06728 -1.5274 5.1274e+05 2024-05-18 12:53:30,214 INFO [main.py:798]
{rank 0/64} MD step = 256200 step time: 00:00:00.350817 Performance: 29.331 ns/day 0.818 hours/ns 1.697 steps/s 2024-05-18 12:53:37,476 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 90.644 -18768 9934.7 -28703 -28703 3.6332 -0.066661 -1.5267 5.1292e+05 2024-05-18 12:54:12,859 INFO [main.py:798]
{rank 0/64} MD step = 256300 step time: 00:00:00.376889 Performance: 29.334 ns/day 0.818 hours/ns 1.698 steps/s 2024-05-18 12:54:19,470 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 89.582 -18878 9818.3 -28696 -28696 3.6327 -0.065375 -1.5253 5.1315e+05 2024-05-18 12:54:54,293 INFO [main.py:798]
{rank 0/64} MD step = 256400 step time: 00:00:00.339927 Performance: 29.337 ns/day 0.818 hours/ns 1.698 steps/s 2024-05-18 12:55:00,015 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 90.619 -18773 9932 -28705 -28705 3.6327 -0.065089 -1.5257 5.1337e+05 2024-05-18 12:55:34,730 INFO [main.py:798]
{rank 0/64} MD step = 256500 step time: 00:00:00.380417 Performance: 29.341 ns/day 0.818 hours/ns 1.698 steps/s 2024-05-18 12:55:44,853 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 90.311 -18954 9898.2 -28852 -28852 3.6334 -0.065356 -1.5248 5.1357e+05 2024-05-18 12:56:19,163 INFO [main.py:798]
{rank 0/64} MD step = 256600 step time: 00:00:00.340228 Performance: 29.343 ns/day 0.818 hours/ns 1.698 steps/s 2024-05-18 12:56:25,011 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 89.918 -19195 9855.1 -29050 -29050 3.6346 -0.063946 -1.5229 5.1369e+05 2024-05-18 12:56:59,579 INFO [main.py:798]
{rank 0/64} MD step = 256700 step time: 00:00:00.353469 Performance: 29.347 ns/day 0.818 hours/ns 1.698 steps/s 2024-05-18 12:57:07,583 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 90.373 -19321 9905 -29226 -29226 3.6356 -0.060918 -1.5206 5.1388e+05 2024-05-18 12:57:42,322 INFO [main.py:798]
{rank 0/64} MD step = 256800 step time: 00:00:00.353966 Performance: 29.350 ns/day 0.818 hours/ns 1.699 steps/s 2024-05-18 12:57:48,292 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 89.057 -19124 9760.8 -28885 -28885 3.6349 -0.059622 -1.5208 5.141e+05 2024-05-18 12:58:24,687 INFO [main.py:798]
{rank 0/64} MD step = 256900 step time: 00:00:00.379379 Performance: 29.353 ns/day 0.818 hours/ns 1.699 steps/s 2024-05-18 12:58:31,377 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 91.575 -18960 10037 -28997 -28997 3.6363 -0.057413 -1.519 5.1427e+05 2024-05-18 12:59:05,550 INFO [main.py:798]
{rank 0/64} MD step = 257000 step time: 00:00:00.351070 Performance: 29.357 ns/day 0.818 hours/ns 1.699 steps/s 2024-05-18 12:59:11,083 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 90.509 -18991 9919.9 -28911 -28911 3.6383 -0.055927 -1.5179 5.1445e+05 2024-05-18 12:59:45,857 INFO [main.py:798]
{rank 0/64} MD step = 257100 step time: 00:00:00.342628 Performance: 29.360 ns/day 0.817 hours/ns 1.699 steps/s 2024-05-18 12:59:52,060 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 88.196 -19339 9666.4 -29006 -29006 3.6389 -0.054955 -1.518 5.1466e+05 2024-05-18 13:00:26,747 INFO [main.py:798]
{rank 0/64} MD step = 257200 step time: 00:00:00.358780 Performance: 29.364 ns/day 0.817 hours/ns 1.699 steps/s 2024-05-18 13:00:32,340 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 90.715 -18842 9942.5 -28784 -28784 3.6388 -0.053565 -1.5161 5.1488e+05 2024-05-18 13:01:06,994 INFO [main.py:798]
{rank 0/64} MD step = 257300 step time: 00:00:00.361579 Performance: 29.368 ns/day 0.817 hours/ns 1.700 steps/s 2024-05-18 13:01:12,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257300 51460 90.446 -18922 9913 -28835 -28835 3.6396 -0.05307 -1.5166 5.1508e+05 2024-05-18 13:01:47,993 INFO [main.py:798]
{rank 0/64} MD step = 257400 step time: 00:00:00.360989 Performance: 29.371 ns/day 0.817 hours/ns 1.700 steps/s 2024-05-18 13:01:58,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257400 51480 90.611 -19099 9931.1 -29030 -29030 3.6417 -0.053108 -1.5153 5.1529e+05 2024-05-18 13:02:32,936 INFO [main.py:798]
{rank 0/64} MD step = 257500 step time: 00:00:00.351336 Performance: 29.374 ns/day 0.817 hours/ns 1.700 steps/s 2024-05-18 13:02:39,931 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 88.947 -19439 9748.7 -29188 -29188 3.6421 -0.050812 -1.5146 5.1545e+05 2024-05-18 13:03:14,490 INFO [main.py:798]
{rank 0/64} MD step = 257600 step time: 00:00:00.355762 Performance: 29.377 ns/day 0.817 hours/ns 1.700 steps/s 2024-05-18 13:03:20,648 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 89.81 -19478 9843.3 -29322 -29322 3.6432 -0.049536 -1.5131 5.1566e+05 2024-05-18 13:03:55,432 INFO [main.py:798]
{rank 0/64} MD step = 257700 step time: 00:00:00.354262 Performance: 29.381 ns/day 0.817 hours/ns 1.700 steps/s 2024-05-18 13:04:02,038 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 89.559 -19226 9815.8 -29041 -29041 3.6417 -0.050136 -1.5128 5.1589e+05 2024-05-18 13:04:36,755 INFO [main.py:798]
{rank 0/64} MD step = 257800 step time: 00:00:00.360385 Performance: 29.384 ns/day 0.817 hours/ns 1.700 steps/s 2024-05-18 13:04:43,390 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 89.796 -19296 9841.7 -29138 -29138 3.642 -0.04986 -1.5124 5.1607e+05 2024-05-18 13:05:17,833 INFO [main.py:798]
{rank 0/64} MD step = 257900 step time: 00:00:00.347306 Performance: 29.387 ns/day 0.817 hours/ns 1.701 steps/s 2024-05-18 13:05:23,812 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 91.095 -19096 9984.1 -29080 -29080 3.6434 -0.048831 -1.5123 5.1626e+05 2024-05-18 13:05:58,819 INFO [main.py:798]
{rank 0/64} MD step = 258000 step time: 00:00:00.343241 Performance: 29.391 ns/day 0.817 hours/ns 1.701 steps/s 2024-05-18 13:06:04,913 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 89.276 -19267 9784.7 -29052 -29052 3.645 -0.048174 -1.5116 5.1645e+05 2024-05-18 13:06:39,739 INFO [main.py:798]
{rank 0/64} MD step = 258100 step time: 00:00:00.351037 Performance: 29.394 ns/day 0.816 hours/ns 1.701 steps/s 2024-05-18 13:06:45,925 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 90.912 -19028 9964.1 -28992 -28992 3.6448 -0.048393 -1.5098 5.1667e+05 2024-05-18 13:07:20,629 INFO [main.py:798]
{rank 0/64} MD step = 258200 step time: 00:00:00.356786 Performance: 29.398 ns/day 0.816 hours/ns 1.701 steps/s 2024-05-18 13:07:26,669 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 88.478 -19517 9697.3 -29214 -29214 3.6457 -0.048174 -1.5082 5.1686e+05 2024-05-18 13:08:01,649 INFO [main.py:798]
{rank 0/64} MD step = 258300 step time: 00:00:00.340486 Performance: 29.401 ns/day 0.816 hours/ns 1.701 steps/s 2024-05-18 13:08:07,655 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 89.57 -19163 9817 -28980 -28980 3.6468 -0.047584 -1.5057 5.1711e+05 2024-05-18 13:08:42,711 INFO [main.py:798]
{rank 0/64} MD step = 258400 step time: 00:00:00.351890 Performance: 29.405 ns/day 0.816 hours/ns 1.702 steps/s 2024-05-18 13:08:49,281 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 90.026 -19129 9866.9 -28996 -28996 3.6477 -0.047793 -1.5052 5.173e+05 2024-05-18 13:09:23,915 INFO [main.py:798]
{rank 0/64} MD step = 258500 step time: 00:00:00.352328 Performance: 29.408 ns/day 0.816 hours/ns 1.702 steps/s 2024-05-18 13:09:30,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258500 51700 89.874 -19232 9850.3 -29082 -29082 3.6476 -0.046593 -1.5046 5.1748e+05 2024-05-18 13:10:05,103 INFO [main.py:798]
{rank 0/64} MD step = 258600 step time: 00:00:00.355846 Performance: 29.411 ns/day 0.816 hours/ns 1.702 steps/s 2024-05-18 13:10:10,980 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 89.949 -19047 9858.5 -28906 -28906 3.6476 -0.045517 -1.502 5.177e+05 2024-05-18 13:10:45,681 INFO [main.py:798]
{rank 0/64} MD step = 258700 step time: 00:00:00.352113 Performance: 29.415 ns/day 0.816 hours/ns 1.702 steps/s 2024-05-18 13:10:52,778 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 87.588 -19366 9599.8 -28966 -28966 3.6485 -0.045574 -1.501 5.179e+05 2024-05-18 13:11:30,096 INFO [main.py:798]
{rank 0/64} MD step = 258800 step time: 00:00:00.382333 Performance: 29.418 ns/day 0.816 hours/ns 1.702 steps/s 2024-05-18 13:11:38,909 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 90.571 -19256 9926.6 -29183 -29183 3.6502 -0.043193 -1.4998 5.1804e+05 2024-05-18 13:12:15,698 INFO [main.py:798]
{rank 0/64} MD step = 258900 step time: 00:00:00.378111 Performance: 29.420 ns/day 0.816 hours/ns 1.703 steps/s 2024-05-18 13:12:24,122 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 90.892 -19282 9961.8 -29244 -29244 3.6494 -0.042802 -1.4999 5.1824e+05 2024-05-18 13:12:58,471 INFO [main.py:798]
{rank 0/64} MD step = 259000 step time: 00:00:00.357092 Performance: 29.423 ns/day 0.816 hours/ns 1.703 steps/s 2024-05-18 13:13:10,203 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 89.839 -19089 9846.5 -28935 -28935 3.6503 -0.040969 -1.4966 5.1846e+05 2024-05-18 13:13:44,812 INFO [main.py:798]
{rank 0/64} MD step = 259100 step time: 00:00:00.343660 Performance: 29.426 ns/day 0.816 hours/ns 1.703 steps/s 2024-05-18 13:13:51,434 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 90.316 -19126 9898.7 -29025 -29025 3.6517 -0.040774 -1.4959 5.1865e+05 2024-05-18 13:14:27,566 INFO [main.py:798]
{rank 0/64} MD step = 259200 step time: 00:00:00.376508 Performance: 29.429 ns/day 0.816 hours/ns 1.703 steps/s 2024-05-18 13:14:34,198 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 88.776 -19530 9729.9 -29260 -29260 3.6529 -0.041298 -1.4959 5.1882e+05 2024-05-18 13:15:08,676 INFO [main.py:798]
{rank 0/64} MD step = 259300 step time: 00:00:00.354043 Performance: 29.432 ns/day 0.815 hours/ns 1.703 steps/s 2024-05-18 13:15:13,322 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 89.054 -19525 9760.4 -29285 -29285 3.6536 -0.039031 -1.4966 5.1902e+05 2024-05-18 13:15:49,878 INFO [main.py:798]
{rank 0/64} MD step = 259400 step time: 00:00:00.371802 Performance: 29.436 ns/day 0.815 hours/ns 1.703 steps/s 2024-05-18 13:16:01,904 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 90.533 -19217 9922.5 -29140 -29140 3.6547 -0.039831 -1.4945 5.1923e+05 2024-05-18 13:16:36,237 INFO [main.py:798]
{rank 0/64} MD step = 259500 step time: 00:00:00.342513 Performance: 29.438 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 13:16:44,135 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 89.877 -19522 9850.7 -29373 -29373 3.6569 -0.037831 -1.4927 5.1941e+05 2024-05-18 13:17:19,628 INFO [main.py:798]
{rank 0/64} MD step = 259600 step time: 00:00:00.354607 Performance: 29.441 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 13:17:27,963 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 90.515 -19334 9920.5 -29254 -29254 3.6568 -0.038374 -1.4912 5.1965e+05 2024-05-18 13:18:02,851 INFO [main.py:798]
{rank 0/64} MD step = 259700 step time: 00:00:00.338181 Performance: 29.444 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 13:18:15,513 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 88.598 -19524 9710.4 -29234 -29234 3.6571 -0.038269 -1.492 5.1987e+05 2024-05-18 13:18:51,162 INFO [main.py:798]
{rank 0/64} MD step = 259800 step time: 00:00:00.363539 Performance: 29.446 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 13:18:59,205 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 92.496 -18829 10138 -28966 -28966 3.6578 -0.038478 -1.4916 5.2009e+05 2024-05-18 13:19:34,233 INFO [main.py:798]
{rank 0/64} MD step = 259900 step time: 00:00:00.343390 Performance: 29.449 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 13:19:40,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259900 51980 89.786 -19414 9840.6 -29254 -29254 3.6566 -0.037259 -1.4933 5.2027e+05 2024-05-18 13:20:15,511 INFO [main.py:798]
{rank 0/64} MD step = 260000 step time: 00:00:00.348156 Performance: 29.452 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 13:20:21,577 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 89.861 -19322 9848.9 -29171 -29171 3.6559 -0.036059 -1.4939 5.205e+05 2024-05-18 13:20:56,681 INFO [main.py:798]
{rank 0/64} MD step = 260100 step time: 00:00:00.367522 Performance: 29.456 ns/day 0.815 hours/ns 1.705 steps/s 2024-05-18 13:21:03,299 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 91.142 -19293 9989.2 -29283 -29283 3.6589 -0.034935 -1.4938 5.2064e+05 2024-05-18 13:21:38,924 INFO [main.py:798]
{rank 0/64} MD step = 260200 step time: 00:00:00.376993 Performance: 29.459 ns/day 0.815 hours/ns 1.705 steps/s 2024-05-18 13:21:45,868 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 90.64 -19116 9934.2 -29050 -29050 3.6603 -0.033992 -1.4935 5.2088e+05 2024-05-18 13:22:21,434 INFO [main.py:798]
{rank 0/64} MD step = 260300 step time: 00:00:00.362086 Performance: 29.462 ns/day 0.815 hours/ns 1.705 steps/s 2024-05-18 13:22:27,724 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 90.902 -19165 9963 -29128 -29128 3.6612 -0.033754 -1.4942 5.2108e+05 2024-05-18 13:23:03,178 INFO [main.py:798]
{rank 0/64} MD step = 260400 step time: 00:00:00.378489 Performance: 29.465 ns/day 0.815 hours/ns 1.705 steps/s 2024-05-18 13:23:10,834 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 89.137 -19517 9769.6 -29287 -29287 3.661 -0.032926 -1.4945 5.2126e+05 2024-05-18 13:23:46,297 INFO [main.py:798]
{rank 0/64} MD step = 260500 step time: 00:00:00.349631 Performance: 29.468 ns/day 0.814 hours/ns 1.705 steps/s 2024-05-18 13:23:52,952 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 89.761 -19258 9837.9 -29096 -29096 3.6618 -0.031449 -1.4928 5.2148e+05 2024-05-18 13:24:30,157 INFO [main.py:798]
{rank 0/64} MD step = 260600 step time: 00:00:00.348025 Performance: 29.471 ns/day 0.814 hours/ns 1.706 steps/s 2024-05-18 13:24:36,639 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 91.112 -19100 9986 -29086 -29086 3.6637 -0.030402 -1.4925 5.2168e+05 2024-05-18 13:25:12,739 INFO [main.py:798]
{rank 0/64} MD step = 260700 step time: 00:00:00.345853 Performance: 29.474 ns/day 0.814 hours/ns 1.706 steps/s 2024-05-18 13:25:18,654 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 89.102 -19367 9765.7 -29133 -29133 3.6636 -0.028383 -1.4906 5.219e+05 2024-05-18 13:25:54,506 INFO [main.py:798]
{rank 0/64} MD step = 260800 step time: 00:00:00.356029 Performance: 29.477 ns/day 0.814 hours/ns 1.706 steps/s 2024-05-18 13:26:00,098 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 91.749 -19339 10056 -29395 -29395 3.6633 -0.029411 -1.4905 5.2205e+05 2024-05-18 13:26:35,302 INFO [main.py:798]
{rank 0/64} MD step = 260900 step time: 00:00:00.351971 Performance: 29.481 ns/day 0.814 hours/ns 1.706 steps/s 2024-05-18 13:26:41,350 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 89.642 -19604 9824.9 -29428 -29428 3.6616 -0.027773 -1.4904 5.2226e+05 2024-05-18 13:27:18,271 INFO [main.py:798]
{rank 0/64} MD step = 261000 step time: 00:00:00.377396 Performance: 29.484 ns/day 0.814 hours/ns 1.706 steps/s 2024-05-18 13:27:25,658 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 89.35 -19403 9792.9 -29196 -29196 3.6629 -0.027697 -1.4908 5.2248e+05 2024-05-18 13:28:00,976 INFO [main.py:798]
{rank 0/64} MD step = 261100 step time: 00:00:00.347918 Performance: 29.487 ns/day 0.814 hours/ns 1.706 steps/s 2024-05-18 13:28:08,150 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 90.496 -19206 9918.5 -29124 -29124 3.6628 -0.026001 -1.4902 5.2271e+05 2024-05-18 13:28:42,912 INFO [main.py:798]
{rank 0/64} MD step = 261200 step time: 00:00:00.331901 Performance: 29.490 ns/day 0.814 hours/ns 1.707 steps/s 2024-05-18 13:28:50,621 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 89.79 -19349 9841 -29190 -29190 3.6622 -0.025182 -1.4895 5.2292e+05 2024-05-18 13:29:25,243 INFO [main.py:798]
{rank 0/64} MD step = 261300 step time: 00:00:00.368390 Performance: 29.493 ns/day 0.814 hours/ns 1.707 steps/s 2024-05-18 13:29:41,467 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 90.193 -19484 9885.3 -29369 -29369 3.6639 -0.025373 -1.4895 5.2314e+05 2024-05-18 13:30:17,613 INFO [main.py:798]
{rank 0/64} MD step = 261400 step time: 00:00:00.369123 Performance: 29.494 ns/day 0.814 hours/ns 1.707 steps/s 2024-05-18 13:30:24,583 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 90.524 -19364 9921.5 -29285 -29285 3.6643 -0.024839 -1.4872 5.2334e+05 2024-05-18 13:30:59,338 INFO [main.py:798]
{rank 0/64} MD step = 261500 step time: 00:00:00.330397 Performance: 29.498 ns/day 0.814 hours/ns 1.707 steps/s 2024-05-18 13:31:06,349 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 89.135 -19362 9769.3 -29131 -29131 3.6649 -0.022725 -1.4863 5.2353e+05 2024-05-18 13:31:40,312 INFO [main.py:798]
{rank 0/64} MD step = 261600 step time: 00:00:00.338841 Performance: 29.501 ns/day 0.814 hours/ns 1.707 steps/s 2024-05-18 13:31:46,651 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 89.501 -19362 9809.4 -29171 -29171 3.6653 -0.021468 -1.4882 5.2374e+05 2024-05-18 13:32:21,142 INFO [main.py:798]
{rank 0/64} MD step = 261700 step time: 00:00:00.346527 Performance: 29.505 ns/day 0.813 hours/ns 1.707 steps/s 2024-05-18 13:32:30,304 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 89.653 -19565 9826.1 -29391 -29391 3.6651 -0.022439 -1.487 5.2395e+05 2024-05-18 13:33:04,968 INFO [main.py:798]
{rank 0/64} MD step = 261800 step time: 00:00:00.354162 Performance: 29.507 ns/day 0.813 hours/ns 1.708 steps/s 2024-05-18 13:33:10,803 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 90.397 -19470 9907.7 -29378 -29378 3.6661 -0.02202 -1.4854 5.2408e+05 2024-05-18 13:33:45,016 INFO [main.py:798]
{rank 0/64} MD step = 261900 step time: 00:00:00.354605 Performance: 29.511 ns/day 0.813 hours/ns 1.708 steps/s 2024-05-18 13:33:51,754 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 91.125 -19213 9987.4 -29200 -29200 3.6652 -0.021751 -1.4857 5.2425e+05 2024-05-18 13:34:26,471 INFO [main.py:798]
{rank 0/64} MD step = 262000 step time: 00:00:00.354708 Performance: 29.514 ns/day 0.813 hours/ns 1.708 steps/s 2024-05-18 13:34:32,195 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 89.64 -19413 9824.7 -29238 -29238 3.6651 -0.020649 -1.4852 5.2447e+05 2024-05-18 13:35:06,582 INFO [main.py:798]
{rank 0/64} MD step = 262100 step time: 00:00:00.363964 Performance: 29.518 ns/day 0.813 hours/ns 1.708 steps/s 2024-05-18 13:35:14,097 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 89.745 -19404 9836.2 -29240 -29240 3.6651 -0.019634 -1.4844 5.2469e+05 2024-05-18 13:35:49,252 INFO [main.py:798]
{rank 0/64} MD step = 262200 step time: 00:00:00.353992 Performance: 29.521 ns/day 0.813 hours/ns 1.708 steps/s 2024-05-18 13:35:55,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262200 52440 90.862 -19355 9958.6 -29314 -29314 3.6652 -0.017563 -1.4845 5.2488e+05 2024-05-18 13:36:29,661 INFO [main.py:798]
{rank 0/64} MD step = 262300 step time: 00:00:00.348938 Performance: 29.524 ns/day 0.813 hours/ns 1.709 steps/s 2024-05-18 13:36:35,720 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 89.211 -19530 9777.7 -29308 -29308 3.6651 -0.015629 -1.484 5.2505e+05 2024-05-18 13:37:10,296 INFO [main.py:798]
{rank 0/64} MD step = 262400 step time: 00:00:00.348681 Performance: 29.528 ns/day 0.813 hours/ns 1.709 steps/s 2024-05-18 13:37:17,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262400 52480 89.662 -19610 9827 -29437 -29437 3.6636 -0.015125 -1.4844 5.2527e+05 2024-05-18 13:37:51,068 INFO [main.py:798]
{rank 0/64} MD step = 262500 step time: 00:00:00.351570 Performance: 29.531 ns/day 0.813 hours/ns 1.709 steps/s 2024-05-18 13:38:00,251 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 89.99 -19592 9863 -29455 -29455 3.6633 -0.013572 -1.4851 5.2545e+05 2024-05-18 13:38:34,323 INFO [main.py:798]
{rank 0/64} MD step = 262600 step time: 00:00:00.346854 Performance: 29.534 ns/day 0.813 hours/ns 1.709 steps/s 2024-05-18 13:38:42,752 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 90.014 -19431 9865.6 -29297 -29297 3.6641 -0.011448 -1.484 5.2566e+05 2024-05-18 13:39:17,126 INFO [main.py:798]
{rank 0/64} MD step = 262700 step time: 00:00:00.342125 Performance: 29.537 ns/day 0.813 hours/ns 1.709 steps/s 2024-05-18 13:39:23,200 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 89.409 -19344 9799.3 -29144 -29144 3.6655 -0.0094672 -1.4847 5.259e+05 2024-05-18 13:39:57,626 INFO [main.py:798]
{rank 0/64} MD step = 262800 step time: 00:00:00.342487 Performance: 29.541 ns/day 0.812 hours/ns 1.710 steps/s 2024-05-18 13:40:03,283 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 91.112 -19373 9985.9 -29359 -29359 3.666 -0.0079624 -1.4848 5.2609e+05 2024-05-18 13:40:38,131 INFO [main.py:798]
{rank 0/64} MD step = 262900 step time: 00:00:00.331939 Performance: 29.544 ns/day 0.812 hours/ns 1.710 steps/s 2024-05-18 13:40:43,397 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 88.929 -19567 9746.7 -29314 -29314 3.6677 -0.0091053 -1.4845 5.2632e+05 2024-05-18 13:41:18,286 INFO [main.py:798]
{rank 0/64} MD step = 263000 step time: 00:00:00.330638 Performance: 29.548 ns/day 0.812 hours/ns 1.710 steps/s 2024-05-18 13:41:24,049 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 88.635 -19669 9714.5 -29384 -29384 3.6689 -0.0074671 -1.4844 5.2651e+05 2024-05-18 13:41:58,646 INFO [main.py:798]
{rank 0/64} MD step = 263100 step time: 00:00:00.332820 Performance: 29.551 ns/day 0.812 hours/ns 1.710 steps/s 2024-05-18 13:42:04,373 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 89.527 -19454 9812.2 -29266 -29266 3.6719 -0.0059432 -1.484 5.2676e+05 2024-05-18 13:42:39,371 INFO [main.py:798]
{rank 0/64} MD step = 263200 step time: 00:00:00.333691 Performance: 29.554 ns/day 0.812 hours/ns 1.710 steps/s 2024-05-18 13:42:45,441 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 91.48 -19407 10026 -29433 -29433 3.6732 -0.0048574 -1.4816 5.2694e+05 2024-05-18 13:43:21,819 INFO [main.py:798]
{rank 0/64} MD step = 263300 step time: 00:00:00.329723 Performance: 29.558 ns/day 0.812 hours/ns 1.711 steps/s 2024-05-18 13:43:27,343 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 89.817 -19399 9844.1 -29243 -29243 3.6745 -0.0048098 -1.4796 5.2721e+05 2024-05-18 13:44:01,834 INFO [main.py:798]
{rank 0/64} MD step = 263400 step time: 00:00:00.333224 Performance: 29.561 ns/day 0.812 hours/ns 1.711 steps/s 2024-05-18 13:44:07,821 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 91.296 -19097 10006 -29103 -29103 3.6757 -0.0047241 -1.4794 5.2746e+05 2024-05-18 13:44:43,870 INFO [main.py:798]
{rank 0/64} MD step = 263500 step time: 00:00:00.328083 Performance: 29.564 ns/day 0.812 hours/ns 1.711 steps/s 2024-05-18 13:44:49,077 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 89.928 -19519 9856.3 -29375 -29375 3.6762 -0.005105 -1.4799 5.276e+05 2024-05-18 13:45:24,338 INFO [main.py:798]
{rank 0/64} MD step = 263600 step time: 00:00:00.339376 Performance: 29.568 ns/day 0.812 hours/ns 1.711 steps/s 2024-05-18 13:45:29,998 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 90.823 -19324 9954.3 -29278 -29278 3.6779 -0.0046479 -1.4803 5.2783e+05 2024-05-18 13:46:05,137 INFO [main.py:798]
{rank 0/64} MD step = 263700 step time: 00:00:00.347438 Performance: 29.571 ns/day 0.812 hours/ns 1.711 steps/s 2024-05-18 13:46:12,067 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 90.381 -19175 9905.8 -29081 -29081 3.6785 -0.0045717 -1.4797 5.2807e+05 2024-05-18 13:46:47,227 INFO [main.py:798]
{rank 0/64} MD step = 263800 step time: 00:00:00.333667 Performance: 29.574 ns/day 0.812 hours/ns 1.711 steps/s 2024-05-18 13:46:52,458 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 91.296 -19334 10006 -29340 -29340 3.6779 -0.004686 -1.4782 5.2825e+05 2024-05-18 13:47:27,350 INFO [main.py:798]
{rank 0/64} MD step = 263900 step time: 00:00:00.327832 Performance: 29.578 ns/day 0.811 hours/ns 1.712 steps/s 2024-05-18 13:47:32,032 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 89.552 -19228 9815 -29043 -29043 3.6783 -0.0050527 -1.4767 5.2848e+05 2024-05-18 13:48:06,795 INFO [main.py:798]
{rank 0/64} MD step = 264000 step time: 00:00:00.343302 Performance: 29.581 ns/day 0.811 hours/ns 1.712 steps/s 2024-05-18 13:48:11,784 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 89.633 -19443 9823.9 -29267 -29267 3.6766 -0.0033526 -1.4761 5.2865e+05 2024-05-18 13:48:46,446 INFO [main.py:798]
{rank 0/64} MD step = 264100 step time: 00:00:00.345664 Performance: 29.585 ns/day 0.811 hours/ns 1.712 steps/s 2024-05-18 13:48:51,971 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 90.694 -19309 9940.2 -29250 -29250 3.677 -0.0021144 -1.4752 5.2883e+05 2024-05-18 13:49:26,521 INFO [main.py:798]
{rank 0/64} MD step = 264200 step time: 00:00:00.344324 Performance: 29.588 ns/day 0.811 hours/ns 1.712 steps/s 2024-05-18 13:49:32,528 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 91.533 -19199 10032 -29231 -29231 3.6788 -0.0017144 -1.4748 5.2904e+05 2024-05-18 13:50:06,858 INFO [main.py:798]
{rank 0/64} MD step = 264300 step time: 00:00:00.366436 Performance: 29.592 ns/day 0.811 hours/ns 1.712 steps/s 2024-05-18 13:50:15,022 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 89.496 -19446 9808.9 -29255 -29255 3.6792 -0.00015715 -1.4747 5.2927e+05 2024-05-18 13:50:50,147 INFO [main.py:798]
{rank 0/64} MD step = 264400 step time: 00:00:00.353173 Performance: 29.595 ns/day 0.811 hours/ns 1.713 steps/s 2024-05-18 13:50:55,585 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 90.146 -19590 9880.1 -29471 -29471 3.6782 0.0019811 -1.473 5.2944e+05 2024-05-18 13:51:30,463 INFO [main.py:798]
{rank 0/64} MD step = 264500 step time: 00:00:00.341511 Performance: 29.598 ns/day 0.811 hours/ns 1.713 steps/s 2024-05-18 13:51:35,435 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 90.241 -19397 9890.5 -29288 -29288 3.6763 0.0040193 -1.4737 5.2967e+05 2024-05-18 13:52:10,185 INFO [main.py:798]
{rank 0/64} MD step = 264600 step time: 00:00:00.359462 Performance: 29.602 ns/day 0.811 hours/ns 1.713 steps/s 2024-05-18 13:52:15,773 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 89.059 -19374 9761 -29135 -29135 3.675 0.0042669 -1.4741 5.2985e+05 2024-05-18 13:52:50,419 INFO [main.py:798]
{rank 0/64} MD step = 264700 step time: 00:00:00.361573 Performance: 29.605 ns/day 0.811 hours/ns 1.713 steps/s 2024-05-18 13:52:55,323 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 90.302 -19252 9897.2 -29150 -29150 3.676 0.005467 -1.4735 5.3008e+05 2024-05-18 13:53:31,786 INFO [main.py:798]
{rank 0/64} MD step = 264800 step time: 00:00:00.376211 Performance: 29.609 ns/day 0.811 hours/ns 1.713 steps/s 2024-05-18 13:53:36,248 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 88.837 -19346 9736.6 -29083 -29083 3.6758 0.0066289 -1.4732 5.3024e+05 2024-05-18 13:54:14,749 INFO [main.py:798]
{rank 0/64} MD step = 264900 step time: 00:00:00.375035 Performance: 29.612 ns/day 0.810 hours/ns 1.714 steps/s 2024-05-18 13:54:20,049 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 88.238 -19314 9671 -28985 -28985 3.676 0.0075814 -1.4709 5.3048e+05 2024-05-18 13:54:56,986 INFO [main.py:798]
{rank 0/64} MD step = 265000 step time: 00:00:00.375711 Performance: 29.615 ns/day 0.810 hours/ns 1.714 steps/s 2024-05-18 13:55:03,577 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 89.483 -19219 9807.5 -29027 -29027 3.6763 0.0085719 -1.4714 5.3067e+05 2024-05-18 13:55:39,573 INFO [main.py:798]
{rank 0/64} MD step = 265100 step time: 00:00:00.374508 Performance: 29.618 ns/day 0.810 hours/ns 1.714 steps/s 2024-05-18 13:55:45,037 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 89.129 -19291 9768.6 -29060 -29060 3.6757 0.010515 -1.4712 5.3088e+05 2024-05-18 13:56:19,588 INFO [main.py:798]
{rank 0/64} MD step = 265200 step time: 00:00:00.340425 Performance: 29.621 ns/day 0.810 hours/ns 1.714 steps/s 2024-05-18 13:56:24,831 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 90.981 -19167 9971.6 -29138 -29138 3.6761 0.013105 -1.4691 5.3106e+05 2024-05-18 13:56:58,817 INFO [main.py:798]
{rank 0/64} MD step = 265300 step time: 00:00:00.339697 Performance: 29.625 ns/day 0.810 hours/ns 1.714 steps/s 2024-05-18 13:57:04,712 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 90.447 -19257 9913.1 -29170 -29170 3.6757 0.014344 -1.4695 5.3124e+05 2024-05-18 13:57:38,971 INFO [main.py:798]
{rank 0/64} MD step = 265400 step time: 00:00:00.344064 Performance: 29.628 ns/day 0.810 hours/ns 1.715 steps/s 2024-05-18 13:57:44,822 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 90.545 -19325 9923.9 -29249 -29249 3.6758 0.01541 -1.4707 5.3143e+05 2024-05-18 13:58:19,342 INFO [main.py:798]
{rank 0/64} MD step = 265500 step time: 00:00:00.352761 Performance: 29.632 ns/day 0.810 hours/ns 1.715 steps/s 2024-05-18 13:58:25,573 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 89.889 -19435 9851.9 -29287 -29287 3.6767 0.016458 -1.471 5.3161e+05 2024-05-18 13:58:59,882 INFO [main.py:798]
{rank 0/64} MD step = 265600 step time: 00:00:00.358729 Performance: 29.635 ns/day 0.810 hours/ns 1.715 steps/s 2024-05-18 13:59:13,017 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 90.6 -19291 9929.8 -29221 -29221 3.6763 0.017563 -1.4694 5.318e+05 2024-05-18 13:59:47,687 INFO [main.py:798]
{rank 0/64} MD step = 265700 step time: 00:00:00.333175 Performance: 29.637 ns/day 0.810 hours/ns 1.715 steps/s 2024-05-18 13:59:53,340 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 90.895 -19120 9962.2 -29082 -29082 3.6767 0.018649 -1.467 5.3198e+05 2024-05-18 14:00:30,717 INFO [main.py:798]
{rank 0/64} MD step = 265800 step time: 00:00:00.331425 Performance: 29.640 ns/day 0.810 hours/ns 1.715 steps/s 2024-05-18 14:00:35,897 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 90.01 -19535 9865.2 -29400 -29400 3.6754 0.019811 -1.4681 5.3214e+05 2024-05-18 14:01:10,510 INFO [main.py:798]
{rank 0/64} MD step = 265900 step time: 00:00:00.336441 Performance: 29.644 ns/day 0.810 hours/ns 1.715 steps/s 2024-05-18 14:01:26,966 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 90.432 -19373 9911.4 -29284 -29284 3.6751 0.02043 -1.4667 5.3238e+05 2024-05-18 14:02:01,859 INFO [main.py:798]
{rank 0/64} MD step = 266000 step time: 00:00:00.334598 Performance: 29.645 ns/day 0.810 hours/ns 1.716 steps/s 2024-05-18 14:02:09,873 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 89.065 -19278 9761.6 -29040 -29040 3.6744 0.02122 -1.4671 5.3262e+05 2024-05-18 14:02:44,831 INFO [main.py:798]
{rank 0/64} MD step = 266100 step time: 00:00:00.329982 Performance: 29.648 ns/day 0.810 hours/ns 1.716 steps/s 2024-05-18 14:02:50,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266100 53220 90.576 -19562 9927.2 -29489 -29489 3.6753 0.022277 -1.468 5.3275e+05 2024-05-18 14:03:24,576 INFO [main.py:798]
{rank 0/64} MD step = 266200 step time: 00:00:00.336238 Performance: 29.651 ns/day 0.809 hours/ns 1.716 steps/s 2024-05-18 14:03:32,863 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 89.788 -19459 9840.9 -29300 -29300 3.6754 0.023182 -1.4687 5.33e+05 2024-05-18 14:04:07,864 INFO [main.py:798]
{rank 0/64} MD step = 266300 step time: 00:00:00.331414 Performance: 29.654 ns/day 0.809 hours/ns 1.716 steps/s 2024-05-18 14:04:14,621 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 89.344 -19421 9792.2 -29214 -29214 3.6764 0.023925 -1.47 5.3322e+05 2024-05-18 14:04:49,519 INFO [main.py:798]
{rank 0/64} MD step = 266400 step time: 00:00:00.326848 Performance: 29.657 ns/day 0.809 hours/ns 1.716 steps/s 2024-05-18 14:04:56,253 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 89.6 -19643 9820.3 -29463 -29463 3.6756 0.024859 -1.4716 5.3341e+05 2024-05-18 14:05:31,584 INFO [main.py:798]
{rank 0/64} MD step = 266500 step time: 00:00:00.332020 Performance: 29.661 ns/day 0.809 hours/ns 1.716 steps/s 2024-05-18 14:05:38,243 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 90.112 -19554 9876.4 -29430 -29430 3.6764 0.025182 -1.4731 5.3361e+05 2024-05-18 14:06:13,342 INFO [main.py:798]
{rank 0/64} MD step = 266600 step time: 00:00:00.338426 Performance: 29.664 ns/day 0.809 hours/ns 1.717 steps/s 2024-05-18 14:06:20,294 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 90.336 -19446 9901 -29347 -29347 3.6782 0.025335 -1.4742 5.3387e+05 2024-05-18 14:06:55,564 INFO [main.py:798]
{rank 0/64} MD step = 266700 step time: 00:00:00.351248 Performance: 29.667 ns/day 0.809 hours/ns 1.717 steps/s 2024-05-18 14:07:02,500 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 89.162 -19527 9772.2 -29299 -29299 3.6778 0.025697 -1.4755 5.3406e+05 2024-05-18 14:07:37,330 INFO [main.py:798]
{rank 0/64} MD step = 266800 step time: 00:00:00.357540 Performance: 29.670 ns/day 0.809 hours/ns 1.717 steps/s 2024-05-18 14:07:43,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266800 53360 90.658 -19496 9936.2 -29432 -29432 3.6786 0.025754 -1.4751 5.3425e+05 2024-05-18 14:08:18,342 INFO [main.py:798]
{rank 0/64} MD step = 266900 step time: 00:00:00.369165 Performance: 29.673 ns/day 0.809 hours/ns 1.717 steps/s 2024-05-18 14:08:25,446 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 92.001 -19389 10083 -29472 -29472 3.6789 0.026306 -1.4745 5.3444e+05 2024-05-18 14:09:00,178 INFO [main.py:798]
{rank 0/64} MD step = 267000 step time: 00:00:00.376577 Performance: 29.676 ns/day 0.809 hours/ns 1.717 steps/s 2024-05-18 14:09:06,355 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 89.826 -19459 9845 -29304 -29304 3.6813 0.025468 -1.4753 5.3466e+05 2024-05-18 14:09:40,994 INFO [main.py:798]
{rank 0/64} MD step = 267100 step time: 00:00:00.350520 Performance: 29.680 ns/day 0.809 hours/ns 1.718 steps/s 2024-05-18 14:09:48,173 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 91.059 -19305 9980.2 -29286 -29286 3.6814 0.025954 -1.4773 5.3483e+05 2024-05-18 14:10:23,698 INFO [main.py:798]
{rank 0/64} MD step = 267200 step time: 00:00:00.354423 Performance: 29.683 ns/day 0.809 hours/ns 1.718 steps/s 2024-05-18 14:10:28,810 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 89.277 -19396 9784.9 -29181 -29181 3.6819 0.025373 -1.4799 5.3505e+05 2024-05-18 14:11:05,172 INFO [main.py:798]
{rank 0/64} MD step = 267300 step time: 00:00:00.351567 Performance: 29.686 ns/day 0.808 hours/ns 1.718 steps/s 2024-05-18 14:11:10,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267300 53460 90.078 -19366 9872.7 -29239 -29239 3.6824 0.026887 -1.48 5.3521e+05 2024-05-18 14:11:45,375 INFO [main.py:798]
{rank 0/64} MD step = 267400 step time: 00:00:00.352528 Performance: 29.689 ns/day 0.808 hours/ns 1.718 steps/s 2024-05-18 14:11:51,761 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 89.36 -19259 9794 -29053 -29053 3.6837 0.026449 -1.4816 5.3545e+05 2024-05-18 14:12:26,341 INFO [main.py:798]
{rank 0/64} MD step = 267500 step time: 00:00:00.349558 Performance: 29.692 ns/day 0.808 hours/ns 1.718 steps/s 2024-05-18 14:12:31,977 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 89.574 -19584 9817.4 -29401 -29401 3.683 0.026049 -1.4811 5.356e+05 2024-05-18 14:13:07,265 INFO [main.py:798]
{rank 0/64} MD step = 267600 step time: 00:00:00.366525 Performance: 29.696 ns/day 0.808 hours/ns 1.719 steps/s 2024-05-18 14:13:12,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267600 53520 90.589 -19158 9928.7 -29087 -29087 3.6843 0.028421 -1.4818 5.3587e+05 2024-05-18 14:13:49,068 INFO [main.py:798]
{rank 0/64} MD step = 267700 step time: 00:00:00.338938 Performance: 29.699 ns/day 0.808 hours/ns 1.719 steps/s 2024-05-18 14:13:53,811 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 89.08 -19497 9763.3 -29260 -29260 3.6838 0.026973 -1.4824 5.3603e+05 2024-05-18 14:14:29,719 INFO [main.py:798]
{rank 0/64} MD step = 267800 step time: 00:00:00.352020 Performance: 29.702 ns/day 0.808 hours/ns 1.719 steps/s 2024-05-18 14:14:34,839 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 89.125 -19328 9768.2 -29096 -29096 3.6842 0.025992 -1.4826 5.3624e+05 2024-05-18 14:15:09,447 INFO [main.py:798]
{rank 0/64} MD step = 267900 step time: 00:00:00.347318 Performance: 29.706 ns/day 0.808 hours/ns 1.719 steps/s 2024-05-18 14:15:14,666 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 90.429 -19179 9911.1 -29090 -29090 3.6835 0.026449 -1.4819 5.3644e+05 2024-05-18 14:15:49,539 INFO [main.py:798]
{rank 0/64} MD step = 268000 step time: 00:00:00.357024 Performance: 29.709 ns/day 0.808 hours/ns 1.719 steps/s 2024-05-18 14:15:54,665 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 90.887 -19239 9961.3 -29200 -29200 3.6838 0.026687 -1.4815 5.3661e+05 2024-05-18 14:16:29,085 INFO [main.py:798]
{rank 0/64} MD step = 268100 step time: 00:00:00.340530 Performance: 29.713 ns/day 0.808 hours/ns 1.719 steps/s 2024-05-18 14:16:34,081 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 89.305 -19327 9787.9 -29115 -29115 3.6844 0.028002 -1.4829 5.3682e+05 2024-05-18 14:17:08,526 INFO [main.py:798]
{rank 0/64} MD step = 268200 step time: 00:00:00.349473 Performance: 29.716 ns/day 0.808 hours/ns 1.720 steps/s 2024-05-18 14:17:14,311 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 91.643 -19166 10044 -29210 -29210 3.6844 0.028992 -1.484 5.3703e+05 2024-05-18 14:17:49,151 INFO [main.py:798]
{rank 0/64} MD step = 268300 step time: 00:00:00.345065 Performance: 29.720 ns/day 0.808 hours/ns 1.720 steps/s 2024-05-18 14:18:04,873 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 89.952 -19338 9858.8 -29197 -29197 3.6849 0.029144 -1.4851 5.3727e+05 2024-05-18 14:18:40,631 INFO [main.py:798]
{rank 0/64} MD step = 268400 step time: 00:00:00.344094 Performance: 29.721 ns/day 0.808 hours/ns 1.720 steps/s 2024-05-18 14:18:47,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268400 53680 89.988 -19097 9862.8 -28960 -28960 3.6854 0.031773 -1.4882 5.3746e+05 2024-05-18 14:19:22,555 INFO [main.py:798]
{rank 0/64} MD step = 268500 step time: 00:00:00.357196 Performance: 29.724 ns/day 0.807 hours/ns 1.720 steps/s 2024-05-18 14:19:28,942 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 90.157 -19036 9881.3 -28918 -28918 3.6856 0.030173 -1.489 5.3761e+05 2024-05-18 14:20:03,698 INFO [main.py:798]
{rank 0/64} MD step = 268600 step time: 00:00:00.346393 Performance: 29.727 ns/day 0.807 hours/ns 1.720 steps/s 2024-05-18 14:20:10,529 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 90.498 -19209 9918.7 -29128 -29128 3.6846 0.031773 -1.4897 5.3781e+05 2024-05-18 14:20:45,405 INFO [main.py:798]
{rank 0/64} MD step = 268700 step time: 00:00:00.349474 Performance: 29.730 ns/day 0.807 hours/ns 1.721 steps/s 2024-05-18 14:20:52,510 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 91.013 -19045 9975.2 -29020 -29020 3.6851 0.03124 -1.4898 5.3802e+05 2024-05-18 14:21:26,907 INFO [main.py:798]
{rank 0/64} MD step = 268800 step time: 00:00:00.363228 Performance: 29.734 ns/day 0.807 hours/ns 1.721 steps/s 2024-05-18 14:21:32,389 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 89.999 -19331 9864 -29195 -29195 3.6857 0.031126 -1.4904 5.382e+05 2024-05-18 14:22:06,777 INFO [main.py:798]
{rank 0/64} MD step = 268900 step time: 00:00:00.373713 Performance: 29.737 ns/day 0.807 hours/ns 1.721 steps/s 2024-05-18 14:22:15,490 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 90.828 -19107 9954.8 -29062 -29062 3.6859 0.029335 -1.4912 5.3845e+05 2024-05-18 14:22:49,623 INFO [main.py:798]
{rank 0/64} MD step = 269000 step time: 00:00:00.342170 Performance: 29.740 ns/day 0.807 hours/ns 1.721 steps/s 2024-05-18 14:22:55,018 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 89.171 -18992 9773.2 -28765 -28765 3.6844 0.028916 -1.4916 5.3868e+05 2024-05-18 14:23:30,786 INFO [main.py:798]
{rank 0/64} MD step = 269100 step time: 00:00:00.350449 Performance: 29.743 ns/day 0.807 hours/ns 1.721 steps/s 2024-05-18 14:23:36,639 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 91.792 -18913 10060 -28973 -28973 3.6846 0.027792 -1.4924 5.3883e+05 2024-05-18 14:24:11,019 INFO [main.py:798]
{rank 0/64} MD step = 269200 step time: 00:00:00.336447 Performance: 29.747 ns/day 0.807 hours/ns 1.721 steps/s 2024-05-18 14:24:17,762 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 91.024 -18949 9976.3 -28925 -28925 3.6856 0.027411 -1.4926 5.3902e+05 2024-05-18 14:24:51,630 INFO [main.py:798]
{rank 0/64} MD step = 269300 step time: 00:00:00.345094 Performance: 29.750 ns/day 0.807 hours/ns 1.722 steps/s 2024-05-18 14:24:58,559 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 89.719 -19131 9833.3 -28964 -28964 3.6846 0.027868 -1.4926 5.3925e+05 2024-05-18 14:25:34,250 INFO [main.py:798]
{rank 0/64} MD step = 269400 step time: 00:00:00.350517 Performance: 29.753 ns/day 0.807 hours/ns 1.722 steps/s 2024-05-18 14:25:39,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269400 53880 88.621 -19259 9713 -28972 -28972 3.6841 0.027297 -1.4922 5.3945e+05 2024-05-18 14:26:14,183 INFO [main.py:798]
{rank 0/64} MD step = 269500 step time: 00:00:00.351645 Performance: 29.756 ns/day 0.807 hours/ns 1.722 steps/s 2024-05-18 14:26:21,447 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 88.78 -19100 9730.4 -28831 -28831 3.6845 0.027621 -1.4941 5.3963e+05 2024-05-18 14:26:56,459 INFO [main.py:798]
{rank 0/64} MD step = 269600 step time: 00:00:00.359008 Performance: 29.759 ns/day 0.806 hours/ns 1.722 steps/s 2024-05-18 14:27:04,077 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 89.028 -19184 9757.5 -28941 -28941 3.685 0.02704 -1.4955 5.3984e+05 2024-05-18 14:27:38,667 INFO [main.py:798]
{rank 0/64} MD step = 269700 step time: 00:00:00.377218 Performance: 29.762 ns/day 0.806 hours/ns 1.722 steps/s 2024-05-18 14:27:44,461 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 89.864 -18930 9849.2 -28779 -28779 3.6858 0.027373 -1.4951 5.4002e+05 2024-05-18 14:28:19,155 INFO [main.py:798]
{rank 0/64} MD step = 269800 step time: 00:00:00.358712 Performance: 29.766 ns/day 0.806 hours/ns 1.723 steps/s 2024-05-18 14:28:26,362 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 89.815 -19151 9843.8 -28995 -28995 3.6859 0.026211 -1.4937 5.4024e+05 2024-05-18 14:29:01,003 INFO [main.py:798]
{rank 0/64} MD step = 269900 step time: 00:00:00.351780 Performance: 29.769 ns/day 0.806 hours/ns 1.723 steps/s 2024-05-18 14:29:07,558 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 90.86 -18953 9958.3 -28911 -28911 3.6853 0.024706 -1.4931 5.4045e+05 2024-05-18 14:29:42,856 INFO [main.py:798]
{rank 0/64} MD step = 270000 step time: 00:00:00.353236 Performance: 29.772 ns/day 0.806 hours/ns 1.723 steps/s 2024-05-18 14:29:49,500 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 89.891 -18992 9852.2 -28844 -28844 3.6835 0.023801 -1.4927 5.4065e+05 2024-05-18 14:30:24,594 INFO [main.py:798]
{rank 0/64} MD step = 270100 step time: 00:00:00.357412 Performance: 29.775 ns/day 0.806 hours/ns 1.723 steps/s 2024-05-18 14:30:31,015 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 89.729 -18895 9834.4 -28729 -28729 3.6842 0.023087 -1.493 5.4086e+05 2024-05-18 14:31:05,676 INFO [main.py:798]
{rank 0/64} MD step = 270200 step time: 00:00:00.354582 Performance: 29.778 ns/day 0.806 hours/ns 1.723 steps/s 2024-05-18 14:31:11,569 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 89.155 -19074 9771.5 -28845 -28845 3.6845 0.023297 -1.4954 5.41e+05 2024-05-18 14:31:46,338 INFO [main.py:798]
{rank 0/64} MD step = 270300 step time: 00:00:00.345398 Performance: 29.781 ns/day 0.806 hours/ns 1.723 steps/s 2024-05-18 14:31:52,031 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 91.026 -18659 9976.6 -28636 -28636 3.6852 0.022897 -1.4959 5.4123e+05 2024-05-18 14:32:27,413 INFO [main.py:798]
{rank 0/64} MD step = 270400 step time: 00:00:00.381712 Performance: 29.785 ns/day 0.806 hours/ns 1.724 steps/s 2024-05-18 14:32:32,905 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 91.421 -18722 10020 -28742 -28742 3.6852 0.024335 -1.4965 5.4141e+05 2024-05-18 14:33:07,366 INFO [main.py:798]
{rank 0/64} MD step = 270500 step time: 00:00:00.349881 Performance: 29.788 ns/day 0.806 hours/ns 1.724 steps/s 2024-05-18 14:33:14,010 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 89.848 -19024 9847.4 -28872 -28872 3.6837 0.024344 -1.4968 5.4163e+05 2024-05-18 14:33:48,444 INFO [main.py:798]
{rank 0/64} MD step = 270600 step time: 00:00:00.356370 Performance: 29.791 ns/day 0.806 hours/ns 1.724 steps/s 2024-05-18 14:33:54,457 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 89.379 -18814 9796 -28610 -28610 3.6828 0.024268 -1.4977 5.4186e+05 2024-05-18 14:34:29,225 INFO [main.py:798]
{rank 0/64} MD step = 270700 step time: 00:00:00.343485 Performance: 29.795 ns/day 0.806 hours/ns 1.724 steps/s 2024-05-18 14:34:37,937 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 89.32 -19124 9789.6 -28913 -28913 3.682 0.023954 -1.4984 5.4199e+05 2024-05-18 14:35:12,724 INFO [main.py:798]
{rank 0/64} MD step = 270800 step time: 00:00:00.342384 Performance: 29.797 ns/day 0.805 hours/ns 1.724 steps/s 2024-05-18 14:35:17,244 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 91.241 -18815 10000 -28815 -28815 3.6825 0.022806 -1.4997 5.4218e+05 2024-05-18 14:35:53,223 INFO [main.py:798]
{rank 0/64} MD step = 270900 step time: 00:00:00.345882 Performance: 29.801 ns/day 0.805 hours/ns 1.725 steps/s 2024-05-18 14:35:58,745 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 89.832 -19080 9845.7 -28926 -28926 3.681 0.02343 -1.4996 5.4238e+05 2024-05-18 14:36:34,866 INFO [main.py:798]
{rank 0/64} MD step = 271000 step time: 00:00:00.335537 Performance: 29.804 ns/day 0.805 hours/ns 1.725 steps/s 2024-05-18 14:36:40,843 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 89.727 -18733 9834.1 -28567 -28567 3.6811 0.022801 -1.4987 5.426e+05 2024-05-18 14:37:15,714 INFO [main.py:798]
{rank 0/64} MD step = 271100 step time: 00:00:00.369427 Performance: 29.807 ns/day 0.805 hours/ns 1.725 steps/s 2024-05-18 14:37:21,651 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 89.588 -18917 9818.9 -28736 -28736 3.6802 0.022973 -1.499 5.4278e+05 2024-05-18 14:37:56,762 INFO [main.py:798]
{rank 0/64} MD step = 271200 step time: 00:00:00.375782 Performance: 29.810 ns/day 0.805 hours/ns 1.725 steps/s 2024-05-18 14:38:02,280 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 89.099 -19294 9765.4 -29059 -29059 3.6793 0.022497 -1.4998 5.4296e+05 2024-05-18 14:38:37,048 INFO [main.py:798]
{rank 0/64} MD step = 271300 step time: 00:00:00.362165 Performance: 29.813 ns/day 0.805 hours/ns 1.725 steps/s 2024-05-18 14:38:44,963 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 88.938 -19122 9747.7 -28869 -28869 3.6773 0.021563 -1.5018 5.432e+05 2024-05-18 14:39:20,128 INFO [main.py:798]
{rank 0/64} MD step = 271400 step time: 00:00:00.352763 Performance: 29.816 ns/day 0.805 hours/ns 1.725 steps/s 2024-05-18 14:39:26,662 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 89.795 -19334 9841.7 -29175 -29175 3.6777 0.021287 -1.5048 5.433e+05 2024-05-18 14:40:01,547 INFO [main.py:798]
{rank 0/64} MD step = 271500 step time: 00:00:00.348730 Performance: 29.819 ns/day 0.805 hours/ns 1.726 steps/s 2024-05-18 14:40:07,921 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 89.98 -19227 9861.9 -29089 -29089 3.6775 0.020582 -1.5072 5.4351e+05 2024-05-18 14:40:44,155 INFO [main.py:798]
{rank 0/64} MD step = 271600 step time: 00:00:00.332310 Performance: 29.822 ns/day 0.805 hours/ns 1.726 steps/s 2024-05-18 14:40:50,289 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 89.282 -19162 9785.4 -28947 -28947 3.6766 0.02042 -1.5083 5.437e+05 2024-05-18 14:41:24,985 INFO [main.py:798]
{rank 0/64} MD step = 271700 step time: 00:00:00.333300 Performance: 29.826 ns/day 0.805 hours/ns 1.726 steps/s 2024-05-18 14:41:30,460 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 89.982 -19280 9862.1 -29142 -29142 3.6748 0.019353 -1.5086 5.4391e+05 2024-05-18 14:42:05,436 INFO [main.py:798]
{rank 0/64} MD step = 271800 step time: 00:00:00.334559 Performance: 29.829 ns/day 0.805 hours/ns 1.726 steps/s 2024-05-18 14:42:11,630 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 89.557 -19159 9815.5 -28974 -28974 3.6734 0.020058 -1.508 5.4414e+05 2024-05-18 14:42:46,236 INFO [main.py:798]
{rank 0/64} MD step = 271900 step time: 00:00:00.349375 Performance: 29.832 ns/day 0.805 hours/ns 1.726 steps/s 2024-05-18 14:42:51,984 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 91.677 -18922 10048 -28970 -28970 3.6723 0.019811 -1.5098 5.4435e+05 2024-05-18 14:43:26,776 INFO [main.py:798]
{rank 0/64} MD step = 272000 step time: 00:00:00.380200 Performance: 29.835 ns/day 0.804 hours/ns 1.727 steps/s 2024-05-18 14:43:33,477 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 89.409 -19330 9799.3 -29129 -29129 3.673 0.020877 -1.5114 5.4455e+05 2024-05-18 14:44:08,159 INFO [main.py:798]
{rank 0/64} MD step = 272100 step time: 00:00:00.354632 Performance: 29.839 ns/day 0.804 hours/ns 1.727 steps/s 2024-05-18 14:44:14,144 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 89.334 -19445 9791.1 -29236 -29236 3.6712 0.020496 -1.5132 5.4469e+05 2024-05-18 14:44:48,773 INFO [main.py:798]
{rank 0/64} MD step = 272200 step time: 00:00:00.350268 Performance: 29.842 ns/day 0.804 hours/ns 1.727 steps/s 2024-05-18 14:44:55,219 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 90.057 -19253 9870.3 -29123 -29123 3.6698 0.020154 -1.5147 5.449e+05 2024-05-18 14:45:31,898 INFO [main.py:798]
{rank 0/64} MD step = 272300 step time: 00:00:00.355152 Performance: 29.845 ns/day 0.804 hours/ns 1.727 steps/s 2024-05-18 14:45:40,652 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 90.822 -19262 9954.2 -29216 -29216 3.6678 0.019734 -1.5155 5.4508e+05 2024-05-18 14:46:17,441 INFO [main.py:798]
{rank 0/64} MD step = 272400 step time: 00:00:00.338954 Performance: 29.847 ns/day 0.804 hours/ns 1.727 steps/s 2024-05-18 14:46:23,189 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 90.324 -19298 9899.6 -29197 -29197 3.6669 0.019506 -1.5173 5.4529e+05 2024-05-18 14:46:58,928 INFO [main.py:798]
{rank 0/64} MD step = 272500 step time: 00:00:00.333309 Performance: 29.850 ns/day 0.804 hours/ns 1.727 steps/s 2024-05-18 14:47:05,304 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 89.484 -19309 9807.6 -29116 -29116 3.6646 0.019058 -1.5166 5.4551e+05 2024-05-18 14:47:39,712 INFO [main.py:798]
{rank 0/64} MD step = 272600 step time: 00:00:00.335798 Performance: 29.853 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-18 14:47:45,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272600 54520 90.957 -19170 9969 -29139 -29139 3.6649 0.018744 -1.5197 5.457e+05 2024-05-18 14:48:20,072 INFO [main.py:798]
{rank 0/64} MD step = 272700 step time: 00:00:00.337843 Performance: 29.857 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-18 14:48:29,038 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 90.724 -19043 9943.5 -28987 -28987 3.6647 0.01783 -1.5206 5.4592e+05 2024-05-18 14:49:11,142 INFO [main.py:798]
{rank 0/64} MD step = 272800 step time: 00:00:00.339051 Performance: 29.858 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-18 14:49:17,666 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 89.426 -19247 9801.2 -29048 -29048 3.6647 0.017715 -1.5215 5.4612e+05 2024-05-18 14:49:52,031 INFO [main.py:798]
{rank 0/64} MD step = 272900 step time: 00:00:00.350828 Performance: 29.861 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-18 14:49:57,108 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 90.063 -19185 9871 -29056 -29056 3.6636 0.017334 -1.5209 5.4628e+05 2024-05-18 14:50:32,613 INFO [main.py:798]
{rank 0/64} MD step = 273000 step time: 00:00:00.348597 Performance: 29.864 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-18 14:50:39,465 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 90.512 -19135 9920.3 -29055 -29055 3.6628 0.017487 -1.5209 5.4651e+05 2024-05-18 14:51:13,853 INFO [main.py:798]
{rank 0/64} MD step = 273100 step time: 00:00:00.342743 Performance: 29.868 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-18 14:51:18,823 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 91.383 -18996 10016 -29011 -29011 3.663 0.018268 -1.5226 5.4667e+05 2024-05-18 14:51:53,687 INFO [main.py:798]
{rank 0/64} MD step = 273200 step time: 00:00:00.329823 Performance: 29.871 ns/day 0.803 hours/ns 1.729 steps/s 2024-05-18 14:52:01,879 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 90.699 -18944 9940.7 -28885 -28885 3.6637 0.017963 -1.5248 5.469e+05 2024-05-18 14:52:36,526 INFO [main.py:798]
{rank 0/64} MD step = 273300 step time: 00:00:00.343317 Performance: 29.874 ns/day 0.803 hours/ns 1.729 steps/s 2024-05-18 14:52:41,865 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 89.847 -19036 9847.3 -28884 -28884 3.6628 0.016534 -1.5263 5.4706e+05 2024-05-18 14:53:17,579 INFO [main.py:798]
{rank 0/64} MD step = 273400 step time: 00:00:00.334058 Performance: 29.877 ns/day 0.803 hours/ns 1.729 steps/s 2024-05-18 14:53:23,031 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 91.147 -18915 9989.8 -28905 -28905 3.6616 0.016287 -1.5296 5.4729e+05 2024-05-18 14:53:57,667 INFO [main.py:798]
{rank 0/64} MD step = 273500 step time: 00:00:00.331255 Performance: 29.880 ns/day 0.803 hours/ns 1.729 steps/s 2024-05-18 14:54:03,301 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 88.949 -19258 9748.9 -29007 -29007 3.6623 0.014829 -1.5292 5.4743e+05 2024-05-18 14:54:39,497 INFO [main.py:798]
{rank 0/64} MD step = 273600 step time: 00:00:00.334370 Performance: 29.883 ns/day 0.803 hours/ns 1.729 steps/s 2024-05-18 14:54:45,003 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 90.48 -18895 9916.7 -28811 -28811 3.6615 0.013877 -1.5307 5.4765e+05 2024-05-18 14:55:19,740 INFO [main.py:798]
{rank 0/64} MD step = 273700 step time: 00:00:00.334211 Performance: 29.887 ns/day 0.803 hours/ns 1.730 steps/s 2024-05-18 14:55:24,896 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 90.634 -18971 9933.6 -28905 -28905 3.661 0.012891 -1.5313 5.4783e+05 2024-05-18 14:55:59,309 INFO [main.py:798]
{rank 0/64} MD step = 273800 step time: 00:00:00.331013 Performance: 29.890 ns/day 0.803 hours/ns 1.730 steps/s 2024-05-18 14:56:04,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273800 54760 89.739 -19105 9835.5 -28941 -28941 3.6586 0.014287 -1.5314 5.48e+05 2024-05-18 14:56:39,359 INFO [main.py:798]
{rank 0/64} MD step = 273900 step time: 00:00:00.331655 Performance: 29.893 ns/day 0.803 hours/ns 1.730 steps/s 2024-05-18 14:56:44,266 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 90.493 -19015 9918.2 -28933 -28933 3.6587 0.01302 -1.5323 5.4817e+05 2024-05-18 14:57:19,282 INFO [main.py:798]
{rank 0/64} MD step = 274000 step time: 00:00:00.341754 Performance: 29.897 ns/day 0.803 hours/ns 1.730 steps/s 2024-05-18 14:57:24,724 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 90.156 -19074 9881.2 -28955 -28955 3.6592 0.01242 -1.534 5.4837e+05 2024-05-18 14:57:59,595 INFO [main.py:798]
{rank 0/64} MD step = 274100 step time: 00:00:00.345241 Performance: 29.900 ns/day 0.803 hours/ns 1.730 steps/s 2024-05-18 14:58:05,102 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 89.466 -18977 9805.6 -28783 -28783 3.659 0.010362 -1.5349 5.4859e+05 2024-05-18 14:58:40,229 INFO [main.py:798]
{rank 0/64} MD step = 274200 step time: 00:00:00.375202 Performance: 29.903 ns/day 0.803 hours/ns 1.731 steps/s 2024-05-18 14:58:46,031 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 90.229 -19154 9889.2 -29043 -29043 3.6578 0.0099053 -1.5367 5.4876e+05 2024-05-18 14:59:20,978 INFO [main.py:798]
{rank 0/64} MD step = 274300 step time: 00:00:00.331393 Performance: 29.907 ns/day 0.802 hours/ns 1.731 steps/s 2024-05-18 14:59:26,500 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 90.603 -19130 9930.2 -29060 -29060 3.6573 0.011067 -1.5379 5.4897e+05 2024-05-18 15:00:01,686 INFO [main.py:798]
{rank 0/64} MD step = 274400 step time: 00:00:00.342388 Performance: 29.910 ns/day 0.802 hours/ns 1.731 steps/s 2024-05-18 15:00:07,124 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 89.265 -19414 9783.5 -29198 -29198 3.6581 0.012015 -1.5372 5.4915e+05 2024-05-18 15:00:42,038 INFO [main.py:798]
{rank 0/64} MD step = 274500 step time: 00:00:00.347045 Performance: 29.913 ns/day 0.802 hours/ns 1.731 steps/s 2024-05-18 15:00:47,445 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 89.535 -19362 9813.2 -29175 -29175 3.6588 0.010705 -1.5386 5.4936e+05 2024-05-18 15:01:22,647 INFO [main.py:798]
{rank 0/64} MD step = 274600 step time: 00:00:00.333356 Performance: 29.916 ns/day 0.802 hours/ns 1.731 steps/s 2024-05-18 15:01:27,963 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 90.415 -19193 9909.6 -29103 -29103 3.6603 0.010701 -1.5399 5.4954e+05 2024-05-18 15:02:03,074 INFO [main.py:798]
{rank 0/64} MD step = 274700 step time: 00:00:00.347427 Performance: 29.920 ns/day 0.802 hours/ns 1.731 steps/s 2024-05-18 15:02:09,710 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 89.872 -19299 9850.1 -29149 -29149 3.661 0.010401 -1.541 5.4973e+05 2024-05-18 15:02:44,550 INFO [main.py:798]
{rank 0/64} MD step = 274800 step time: 00:00:00.347672 Performance: 29.923 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 15:03:04,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274800 54960 91.372 -19220 10014 -29234 -29234 3.661 0.011734 -1.5428 5.4991e+05 2024-05-18 15:03:39,834 INFO [main.py:798]
{rank 0/64} MD step = 274900 step time: 00:00:00.330781 Performance: 29.923 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 15:03:47,026 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 91.039 -19291 9977.9 -29269 -29269 3.6604 0.011372 -1.5427 5.5005e+05 2024-05-18 15:04:23,009 INFO [main.py:798]
{rank 0/64} MD step = 275000 step time: 00:00:00.330176 Performance: 29.926 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 15:04:30,152 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 91.452 -19331 10023 -29354 -29354 3.6625 0.010191 -1.5455 5.5028e+05 2024-05-18 15:05:04,573 INFO [main.py:798]
{rank 0/64} MD step = 275100 step time: 00:00:00.334953 Performance: 29.929 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 15:05:12,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275100 55020 91.128 -19124 9987.7 -29112 -29112 3.6637 0.011048 -1.5472 5.505e+05 2024-05-18 15:05:46,930 INFO [main.py:798]
{rank 0/64} MD step = 275200 step time: 00:00:00.335998 Performance: 29.932 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 15:05:53,798 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 89.979 -19418 9861.9 -29280 -29280 3.6629 0.012325 -1.548 5.5071e+05 2024-05-18 15:06:29,318 INFO [main.py:798]
{rank 0/64} MD step = 275300 step time: 00:00:00.328924 Performance: 29.935 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 15:06:43,017 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 90.266 -19355 9893.3 -29248 -29248 3.6614 0.012572 -1.549 5.5093e+05 2024-05-18 15:07:18,339 INFO [main.py:798]
{rank 0/64} MD step = 275400 step time: 00:00:00.329717 Performance: 29.936 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 15:07:24,832 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 90.936 -19316 9966.7 -29283 -29283 3.6613 0.013315 -1.5484 5.5112e+05 2024-05-18 15:07:59,658 INFO [main.py:798]
{rank 0/64} MD step = 275500 step time: 00:00:00.342129 Performance: 29.939 ns/day 0.802 hours/ns 1.733 steps/s 2024-05-18 15:08:18,983 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 88.95 -19483 9749.1 -29232 -29232 3.6615 0.012248 -1.5476 5.5135e+05 2024-05-18 15:08:54,047 INFO [main.py:798]
{rank 0/64} MD step = 275600 step time: 00:00:00.353618 Performance: 29.940 ns/day 0.802 hours/ns 1.733 steps/s 2024-05-18 15:08:59,290 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 89.736 -19365 9835.2 -29200 -29200 3.6595 0.012629 -1.548 5.5152e+05 2024-05-18 15:09:33,556 INFO [main.py:798]
{rank 0/64} MD step = 275700 step time: 00:00:00.333294 Performance: 29.943 ns/day 0.802 hours/ns 1.733 steps/s 2024-05-18 15:09:40,610 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 91.869 -19375 10069 -29444 -29444 3.6594 0.012839 -1.5486 5.5175e+05 2024-05-18 15:10:15,250 INFO [main.py:798]
{rank 0/64} MD step = 275800 step time: 00:00:00.338303 Performance: 29.946 ns/day 0.801 hours/ns 1.733 steps/s 2024-05-18 15:10:19,931 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 89.9 -19401 9853.2 -29254 -29254 3.6575 0.014629 -1.5505 5.5196e+05 2024-05-18 15:10:53,831 INFO [main.py:798]
{rank 0/64} MD step = 275900 step time: 00:00:00.355728 Performance: 29.950 ns/day 0.801 hours/ns 1.733 steps/s 2024-05-18 15:11:09,160 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 89.404 -19346 9798.8 -29145 -29145 3.6566 0.013506 -1.5525 5.5219e+05 2024-05-18 15:11:44,074 INFO [main.py:798]
{rank 0/64} MD step = 276000 step time: 00:00:00.338763 Performance: 29.951 ns/day 0.801 hours/ns 1.733 steps/s 2024-05-18 15:11:50,708 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 89.936 -19141 9857.1 -28999 -28999 3.655 0.014325 -1.5548 5.5239e+05 2024-05-18 15:12:25,508 INFO [main.py:798]
{rank 0/64} MD step = 276100 step time: 00:00:00.354007 Performance: 29.955 ns/day 0.801 hours/ns 1.733 steps/s 2024-05-18 15:12:39,686 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 90.885 -19148 9961.1 -29109 -29109 3.6544 0.01442 -1.5569 5.5256e+05 2024-05-18 15:13:14,671 INFO [main.py:798]
{rank 0/64} MD step = 276200 step time: 00:00:00.340268 Performance: 29.956 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-18 15:13:20,314 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 88.745 -19501 9726.6 -29228 -29228 3.6545 0.014039 -1.5588 5.5276e+05 2024-05-18 15:13:55,096 INFO [main.py:798]
{rank 0/64} MD step = 276300 step time: 00:00:00.341234 Performance: 29.959 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-18 15:14:00,365 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 89.36 -19454 9794 -29248 -29248 3.6541 0.016458 -1.5576 5.5297e+05 2024-05-18 15:14:34,952 INFO [main.py:798]
{rank 0/64} MD step = 276400 step time: 00:00:00.344762 Performance: 29.963 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-18 15:14:41,098 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 89.522 -19380 9811.7 -29192 -29192 3.6543 0.016744 -1.5582 5.5316e+05 2024-05-18 15:15:16,624 INFO [main.py:798]
{rank 0/64} MD step = 276500 step time: 00:00:00.359679 Performance: 29.966 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-18 15:15:24,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276500 55300 89.01 -19414 9755.6 -29170 -29170 3.6535 0.015791 -1.5599 5.5334e+05 2024-05-18 15:15:59,162 INFO [main.py:798]
{rank 0/64} MD step = 276600 step time: 00:00:00.354542 Performance: 29.969 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-18 15:16:05,386 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 90.307 -19169 9897.7 -29067 -29067 3.6543 0.015553 -1.56 5.5352e+05 2024-05-18 15:16:40,754 INFO [main.py:798]
{rank 0/64} MD step = 276700 step time: 00:00:00.374760 Performance: 29.972 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-18 15:16:47,018 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 89.344 -19408 9792.2 -29200 -29200 3.6526 0.01701 -1.5616 5.5372e+05 2024-05-18 15:17:21,891 INFO [main.py:798]
{rank 0/64} MD step = 276800 step time: 00:00:00.353725 Performance: 29.975 ns/day 0.801 hours/ns 1.735 steps/s 2024-05-18 15:17:27,291 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 90.547 -19127 9924 -29051 -29051 3.6519 0.01501 -1.5609 5.5397e+05 2024-05-18 15:18:01,866 INFO [main.py:798]
{rank 0/64} MD step = 276900 step time: 00:00:00.366092 Performance: 29.978 ns/day 0.801 hours/ns 1.735 steps/s 2024-05-18 15:18:07,435 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 90.75 -19198 9946.3 -29145 -29145 3.6508 0.014172 -1.5607 5.5412e+05 2024-05-18 15:18:42,403 INFO [main.py:798]
{rank 0/64} MD step = 277000 step time: 00:00:00.353140 Performance: 29.981 ns/day 0.801 hours/ns 1.735 steps/s 2024-05-18 15:18:47,998 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 89.431 -19292 9801.7 -29094 -29094 3.6514 0.013525 -1.5608 5.5434e+05 2024-05-18 15:19:22,596 INFO [main.py:798]
{rank 0/64} MD step = 277100 step time: 00:00:00.342713 Performance: 29.985 ns/day 0.800 hours/ns 1.735 steps/s 2024-05-18 15:19:27,984 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 89.923 -19124 9855.7 -28980 -28980 3.6501 0.015506 -1.5616 5.5455e+05 2024-05-18 15:20:02,625 INFO [main.py:798]
{rank 0/64} MD step = 277200 step time: 00:00:00.361696 Performance: 29.988 ns/day 0.800 hours/ns 1.735 steps/s 2024-05-18 15:20:07,813 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 89.667 -19467 9827.6 -29295 -29295 3.6478 0.015658 -1.5618 5.5472e+05 2024-05-18 15:20:43,709 INFO [main.py:798]
{rank 0/64} MD step = 277300 step time: 00:00:00.379290 Performance: 29.991 ns/day 0.800 hours/ns 1.736 steps/s 2024-05-18 15:20:51,201 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 89.984 -19431 9862.4 -29294 -29294 3.6453 0.015487 -1.5642 5.5492e+05 2024-05-18 15:21:27,139 INFO [main.py:798]
{rank 0/64} MD step = 277400 step time: 00:00:00.345122 Performance: 29.994 ns/day 0.800 hours/ns 1.736 steps/s 2024-05-18 15:21:30,770 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 91.936 -18836 10076 -28913 -28913 3.6439 0.01402 -1.5658 5.5513e+05 2024-05-18 15:22:07,580 INFO [main.py:798]
{rank 0/64} MD step = 277500 step time: 00:00:00.345263 Performance: 29.997 ns/day 0.800 hours/ns 1.736 steps/s 2024-05-18 15:22:13,420 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 88.963 -19395 9750.5 -29145 -29145 3.641 0.012915 -1.5663 5.5534e+05 2024-05-18 15:22:47,841 INFO [main.py:798]
{rank 0/64} MD step = 277600 step time: 00:00:00.355972 Performance: 30.000 ns/day 0.800 hours/ns 1.736 steps/s 2024-05-18 15:22:54,440 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 90.567 -19466 9926.3 -29392 -29392 3.6392 0.012496 -1.5673 5.5552e+05 2024-05-18 15:23:28,933 INFO [main.py:798]
{rank 0/64} MD step = 277700 step time: 00:00:00.341302 Performance: 30.003 ns/day 0.800 hours/ns 1.736 steps/s 2024-05-18 15:23:34,361 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 89.951 -19261 9858.7 -29120 -29120 3.6365 0.012229 -1.568 5.5576e+05 2024-05-18 15:24:09,377 INFO [main.py:798]
{rank 0/64} MD step = 277800 step time: 00:00:00.337761 Performance: 30.006 ns/day 0.800 hours/ns 1.736 steps/s 2024-05-18 15:24:14,518 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 89.711 -19332 9832.4 -29165 -29165 3.6357 0.0099434 -1.5689 5.5592e+05 2024-05-18 15:24:49,212 INFO [main.py:798]
{rank 0/64} MD step = 277900 step time: 00:00:00.353415 Performance: 30.010 ns/day 0.800 hours/ns 1.737 steps/s 2024-05-18 15:24:54,318 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 89.476 -19038 9806.6 -28845 -28845 3.6346 0.0097863 -1.5702 5.5615e+05 2024-05-18 15:25:28,862 INFO [main.py:798]
{rank 0/64} MD step = 278000 step time: 00:00:00.352872 Performance: 30.013 ns/day 0.800 hours/ns 1.737 steps/s 2024-05-18 15:25:34,233 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 90.896 -19100 9962.4 -29062 -29062 3.6337 0.0091624 -1.5695 5.5636e+05 2024-05-18 15:26:08,433 INFO [main.py:798]
{rank 0/64} MD step = 278100 step time: 00:00:00.343678 Performance: 30.016 ns/day 0.800 hours/ns 1.737 steps/s 2024-05-18 15:26:13,706 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 89.614 -19326 9821.8 -29148 -29148 3.6316 0.0091243 -1.5696 5.5658e+05 2024-05-18 15:26:47,798 INFO [main.py:798]
{rank 0/64} MD step = 278200 step time: 00:00:00.352297 Performance: 30.020 ns/day 0.799 hours/ns 1.737 steps/s 2024-05-18 15:26:56,357 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 89.724 -19267 9833.9 -29101 -29101 3.6305 0.0064718 -1.5695 5.5678e+05 2024-05-18 15:27:31,049 INFO [main.py:798]
{rank 0/64} MD step = 278300 step time: 00:00:00.351970 Performance: 30.023 ns/day 0.799 hours/ns 1.737 steps/s 2024-05-18 15:27:36,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278300 55660 89.024 -19395 9757.1 -29152 -29152 3.6295 0.0067623 -1.5716 5.5698e+05 2024-05-18 15:28:11,168 INFO [main.py:798]
{rank 0/64} MD step = 278400 step time: 00:00:00.351179 Performance: 30.026 ns/day 0.799 hours/ns 1.738 steps/s 2024-05-18 15:28:16,094 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 89.625 -19046 9823.1 -28869 -28869 3.6293 0.0056575 -1.5726 5.5719e+05 2024-05-18 15:28:51,218 INFO [main.py:798]
{rank 0/64} MD step = 278500 step time: 00:00:00.343435 Performance: 30.029 ns/day 0.799 hours/ns 1.738 steps/s 2024-05-18 15:28:57,146 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 89.636 -19134 9824.2 -28958 -28958 3.6298 0.0055051 -1.5728 5.574e+05 2024-05-18 15:29:31,415 INFO [main.py:798]
{rank 0/64} MD step = 278600 step time: 00:00:00.353174 Performance: 30.032 ns/day 0.799 hours/ns 1.738 steps/s 2024-05-18 15:29:36,845 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 89.869 -19391 9849.8 -29240 -29240 3.6303 0.0034716 -1.574 5.576e+05 2024-05-18 15:30:11,622 INFO [main.py:798]
{rank 0/64} MD step = 278700 step time: 00:00:00.353374 Performance: 30.036 ns/day 0.799 hours/ns 1.738 steps/s 2024-05-18 15:30:17,196 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 91.274 -19249 10004 -29253 -29253 3.6282 0.0034002 -1.5762 5.5777e+05 2024-05-18 15:30:52,544 INFO [main.py:798]
{rank 0/64} MD step = 278800 step time: 00:00:00.371100 Performance: 30.039 ns/day 0.799 hours/ns 1.738 steps/s 2024-05-18 15:30:57,874 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 90.135 -19193 9878.9 -29072 -29072 3.6272 0.002362 -1.5775 5.5802e+05 2024-05-18 15:31:32,714 INFO [main.py:798]
{rank 0/64} MD step = 278900 step time: 00:00:00.333092 Performance: 30.042 ns/day 0.799 hours/ns 1.739 steps/s 2024-05-18 15:31:38,807 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 90.922 -19168 9965.2 -29133 -29133 3.6254 0.0016572 -1.5773 5.5825e+05 2024-05-18 15:32:13,396 INFO [main.py:798]
{rank 0/64} MD step = 279000 step time: 00:00:00.342955 Performance: 30.045 ns/day 0.799 hours/ns 1.739 steps/s 2024-05-18 15:32:18,812 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 89.688 -19340 9829.9 -29170 -29170 3.6236 0.0022763 -1.5771 5.5841e+05 2024-05-18 15:32:53,141 INFO [main.py:798]
{rank 0/64} MD step = 279100 step time: 00:00:00.353664 Performance: 30.048 ns/day 0.799 hours/ns 1.739 steps/s 2024-05-18 15:33:00,221 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 88.185 -19295 9665.2 -28960 -28960 3.6229 0.0031145 -1.5783 5.5868e+05 2024-05-18 15:33:34,819 INFO [main.py:798]
{rank 0/64} MD step = 279200 step time: 00:00:00.360513 Performance: 30.051 ns/day 0.799 hours/ns 1.739 steps/s 2024-05-18 15:33:40,537 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 89.077 -19540 9762.9 -29303 -29303 3.6193 0.0027621 -1.5785 5.5882e+05 2024-05-18 15:34:16,081 INFO [main.py:798]
{rank 0/64} MD step = 279300 step time: 00:00:00.374262 Performance: 30.054 ns/day 0.799 hours/ns 1.739 steps/s 2024-05-18 15:34:22,330 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 89.238 -19122 9780.6 -28902 -28902 3.6177 0.0024382 -1.5792 5.5903e+05 2024-05-18 15:34:56,945 INFO [main.py:798]
{rank 0/64} MD step = 279400 step time: 00:00:00.358609 Performance: 30.058 ns/day 0.798 hours/ns 1.739 steps/s 2024-05-18 15:35:12,480 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 90.232 -18979 9889.6 -28868 -28868 3.6162 0.001562 -1.5787 5.5923e+05 2024-05-18 15:35:46,991 INFO [main.py:798]
{rank 0/64} MD step = 279500 step time: 00:00:00.348386 Performance: 30.059 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:35:52,318 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 90.382 -18997 9906 -28903 -28903 3.6141 -0.00061432 -1.5787 5.5942e+05 2024-05-18 15:36:27,128 INFO [main.py:798]
{rank 0/64} MD step = 279600 step time: 00:00:00.343962 Performance: 30.062 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:36:40,224 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 90.581 -19004 9927.8 -28932 -28932 3.6128 -0.00076195 -1.5794 5.5964e+05 2024-05-18 15:37:14,855 INFO [main.py:798]
{rank 0/64} MD step = 279700 step time: 00:00:00.352629 Performance: 30.064 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:37:29,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279700 55940 89.206 -19172 9777.1 -28949 -28949 3.6115 -0.0020001 -1.5792 5.5983e+05 2024-05-18 15:38:03,896 INFO [main.py:798]
{rank 0/64} MD step = 279800 step time: 00:00:00.351446 Performance: 30.066 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:38:17,335 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 90.986 -19101 9972.2 -29073 -29073 3.611 -0.0038097 -1.5791 5.5999e+05 2024-05-18 15:38:51,780 INFO [main.py:798]
{rank 0/64} MD step = 279900 step time: 00:00:00.352052 Performance: 30.067 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:39:00,735 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 91.338 -19075 10011 -29086 -29086 3.6099 -0.0070861 -1.5795 5.602e+05 2024-05-18 15:39:38,076 INFO [main.py:798]
{rank 0/64} MD step = 280000 step time: 00:00:00.339316 Performance: 30.069 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:39:45,858 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 89.922 -19095 9855.5 -28951 -28951 3.6079 -0.0091338 -1.5802 5.6042e+05 2024-05-18 15:40:20,403 INFO [main.py:798]
{rank 0/64} MD step = 280100 step time: 00:00:00.357453 Performance: 30.072 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:40:55,392 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 89.097 -19186 9765.1 -28952 -28952 3.6071 -0.011334 -1.5797 5.6062e+05 2024-05-18 15:41:29,920 INFO [main.py:798]
{rank 0/64} MD step = 280200 step time: 00:00:00.361290 Performance: 30.070 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:41:36,207 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 90.301 -19024 9897.1 -28921 -28921 3.6058 -0.012053 -1.5805 5.6082e+05 2024-05-18 15:42:12,964 INFO [main.py:798]
{rank 0/64} MD step = 280300 step time: 00:00:00.386576 Performance: 30.073 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:42:20,619 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 90.515 -18951 9920.5 -28871 -28871 3.6041 -0.013201 -1.5836 5.6101e+05 2024-05-18 15:42:55,616 INFO [main.py:798]
{rank 0/64} MD step = 280400 step time: 00:00:00.351114 Performance: 30.075 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 15:43:02,761 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 92.457 -18757 10133 -28890 -28890 3.6033 -0.01421 -1.5839 5.6123e+05 2024-05-18 15:43:37,590 INFO [main.py:798]
{rank 0/64} MD step = 280500 step time: 00:00:00.347487 Performance: 30.078 ns/day 0.798 hours/ns 1.741 steps/s 2024-05-18 15:43:44,862 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 89.754 -19073 9837.1 -28910 -28910 3.6021 -0.014667 -1.5845 5.6139e+05 2024-05-18 15:44:21,446 INFO [main.py:798]
{rank 0/64} MD step = 280600 step time: 00:00:00.344192 Performance: 30.081 ns/day 0.798 hours/ns 1.741 steps/s 2024-05-18 15:44:26,618 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 89.807 -18963 9843 -28806 -28806 3.6014 -0.014315 -1.5849 5.6161e+05 2024-05-18 15:45:01,396 INFO [main.py:798]
{rank 0/64} MD step = 280700 step time: 00:00:00.364281 Performance: 30.084 ns/day 0.798 hours/ns 1.741 steps/s 2024-05-18 15:45:07,685 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 90.571 -18905 9926.7 -28832 -28832 3.599 -0.014287 -1.5877 5.6184e+05 2024-05-18 15:45:42,163 INFO [main.py:798]
{rank 0/64} MD step = 280800 step time: 00:00:00.359567 Performance: 30.087 ns/day 0.798 hours/ns 1.741 steps/s 2024-05-18 15:45:48,399 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 89.574 -18868 9817.4 -28686 -28686 3.5998 -0.013867 -1.586 5.6207e+05 2024-05-18 15:46:22,834 INFO [main.py:798]
{rank 0/64} MD step = 280900 step time: 00:00:00.375237 Performance: 30.090 ns/day 0.798 hours/ns 1.741 steps/s 2024-05-18 15:46:31,902 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 88.937 -19115 9747.6 -28863 -28863 3.5982 -0.014287 -1.5875 5.6222e+05 2024-05-18 15:47:07,051 INFO [main.py:798]
{rank 0/64} MD step = 281000 step time: 00:00:00.364602 Performance: 30.093 ns/day 0.798 hours/ns 1.741 steps/s 2024-05-18 15:47:13,747 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 89.768 -19013 9838.7 -28851 -28851 3.5966 -0.013591 -1.5871 5.624e+05 2024-05-18 15:47:48,200 INFO [main.py:798]
{rank 0/64} MD step = 281100 step time: 00:00:00.354312 Performance: 30.096 ns/day 0.797 hours/ns 1.742 steps/s 2024-05-18 15:47:55,401 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 89.874 -18936 9850.3 -28787 -28787 3.595 -0.015353 -1.5883 5.6264e+05 2024-05-18 15:48:30,005 INFO [main.py:798]
{rank 0/64} MD step = 281200 step time: 00:00:00.352227 Performance: 30.099 ns/day 0.797 hours/ns 1.742 steps/s 2024-05-18 15:48:36,118 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 91.521 -18894 10031 -28925 -28925 3.5934 -0.016963 -1.5897 5.6282e+05 2024-05-18 15:49:10,325 INFO [main.py:798]
{rank 0/64} MD step = 281300 step time: 00:00:00.349685 Performance: 30.102 ns/day 0.797 hours/ns 1.742 steps/s 2024-05-18 15:49:24,371 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 90.43 -19015 9911.2 -28926 -28926 3.5909 -0.019806 -1.5889 5.6304e+05 2024-05-18 15:49:59,172 INFO [main.py:798]
{rank 0/64} MD step = 281400 step time: 00:00:00.353075 Performance: 30.104 ns/day 0.797 hours/ns 1.742 steps/s 2024-05-18 15:50:06,701 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 90.255 -19041 9892 -28933 -28933 3.5902 -0.019601 -1.5898 5.6325e+05 2024-05-18 15:50:41,377 INFO [main.py:798]
{rank 0/64} MD step = 281500 step time: 00:00:00.355531 Performance: 30.106 ns/day 0.797 hours/ns 1.742 steps/s 2024-05-18 15:50:50,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281500 56300 89.666 -19090 9827.5 -28918 -28918 3.5876 -0.021258 -1.5902 5.6344e+05 2024-05-18 15:51:25,671 INFO [main.py:798]
{rank 0/64} MD step = 281600 step time: 00:00:00.384534 Performance: 30.109 ns/day 0.797 hours/ns 1.742 steps/s 2024-05-18 15:51:30,396 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 88.033 -19415 9648.5 -29064 -29064 3.586 -0.023839 -1.5909 5.6365e+05 2024-05-18 15:52:06,836 INFO [main.py:798]
{rank 0/64} MD step = 281700 step time: 00:00:00.358851 Performance: 30.112 ns/day 0.797 hours/ns 1.743 steps/s 2024-05-18 15:52:14,188 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 89.1 -19182 9765.5 -28947 -28947 3.5821 -0.024987 -1.591 5.6385e+05 2024-05-18 15:52:48,649 INFO [main.py:798]
{rank 0/64} MD step = 281800 step time: 00:00:00.346609 Performance: 30.115 ns/day 0.797 hours/ns 1.743 steps/s 2024-05-18 15:52:57,921 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 90.513 -19102 9920.3 -29022 -29022 3.5804 -0.026906 -1.5904 5.6406e+05 2024-05-18 15:53:31,754 INFO [main.py:798]
{rank 0/64} MD step = 281900 step time: 00:00:00.352242 Performance: 30.117 ns/day 0.797 hours/ns 1.743 steps/s 2024-05-18 15:53:39,724 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 89.347 -19008 9792.5 -28800 -28800 3.5785 -0.027068 -1.5909 5.6432e+05 2024-05-18 15:54:15,849 INFO [main.py:798]
{rank 0/64} MD step = 282000 step time: 00:00:00.355981 Performance: 30.120 ns/day 0.797 hours/ns 1.743 steps/s 2024-05-18 15:54:24,149 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 89.611 -19124 9821.5 -28946 -28946 3.5784 -0.030592 -1.5902 5.6449e+05 2024-05-18 15:54:58,850 INFO [main.py:798]
{rank 0/64} MD step = 282100 step time: 00:00:00.355040 Performance: 30.123 ns/day 0.797 hours/ns 1.743 steps/s 2024-05-18 15:55:05,832 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 90.251 -19101 9891.6 -28993 -28993 3.576 -0.030935 -1.5907 5.6467e+05 2024-05-18 15:55:41,338 INFO [main.py:798]
{rank 0/64} MD step = 282200 step time: 00:00:00.352408 Performance: 30.125 ns/day 0.797 hours/ns 1.743 steps/s 2024-05-18 15:55:45,983 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 90.429 -18988 9911.2 -28899 -28899 3.5753 -0.032535 -1.5899 5.6491e+05 2024-05-18 15:56:22,140 INFO [main.py:798]
{rank 0/64} MD step = 282300 step time: 00:00:00.334731 Performance: 30.128 ns/day 0.797 hours/ns 1.744 steps/s 2024-05-18 15:56:27,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282300 56460 89.666 -19206 9827.5 -29034 -29034 3.5723 -0.034383 -1.5905 5.651e+05 2024-05-18 15:57:02,600 INFO [main.py:798]
{rank 0/64} MD step = 282400 step time: 00:00:00.344685 Performance: 30.132 ns/day 0.797 hours/ns 1.744 steps/s 2024-05-18 15:57:08,130 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 89.259 -19136 9782.9 -28919 -28919 3.5714 -0.035831 -1.5911 5.6527e+05 2024-05-18 15:57:43,223 INFO [main.py:798]
{rank 0/64} MD step = 282500 step time: 00:00:00.363679 Performance: 30.135 ns/day 0.796 hours/ns 1.744 steps/s 2024-05-18 15:57:50,961 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 89.948 -19063 9858.4 -28921 -28921 3.5704 -0.038345 -1.5917 5.6546e+05 2024-05-18 15:58:25,652 INFO [main.py:798]
{rank 0/64} MD step = 282600 step time: 00:00:00.363572 Performance: 30.137 ns/day 0.796 hours/ns 1.744 steps/s 2024-05-18 15:58:32,919 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 90.461 -19049 9914.6 -28963 -28963 3.5692 -0.037469 -1.5917 5.6568e+05 2024-05-18 15:59:07,541 INFO [main.py:798]
{rank 0/64} MD step = 282700 step time: 00:00:00.351731 Performance: 30.140 ns/day 0.796 hours/ns 1.744 steps/s 2024-05-18 15:59:13,540 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 89.979 -19192 9861.8 -29054 -29054 3.5676 -0.036364 -1.5919 5.6585e+05 2024-05-18 15:59:48,397 INFO [main.py:798]
{rank 0/64} MD step = 282800 step time: 00:00:00.356858 Performance: 30.143 ns/day 0.796 hours/ns 1.744 steps/s 2024-05-18 15:59:57,389 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 90.264 -19075 9893.1 -28968 -28968 3.5672 -0.035888 -1.5936 5.6607e+05 2024-05-18 16:00:31,594 INFO [main.py:798]
{rank 0/64} MD step = 282900 step time: 00:00:00.339936 Performance: 30.146 ns/day 0.796 hours/ns 1.745 steps/s 2024-05-18 16:00:38,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282900 56580 89.265 -19339 9783.6 -29122 -29122 3.5665 -0.036764 -1.5963 5.6623e+05 2024-05-18 16:01:13,258 INFO [main.py:798]
{rank 0/64} MD step = 283000 step time: 00:00:00.362636 Performance: 30.149 ns/day 0.796 hours/ns 1.745 steps/s 2024-05-18 16:01:18,883 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 89.15 -19120 9770.9 -28891 -28891 3.5652 -0.036974 -1.5988 5.6643e+05 2024-05-18 16:01:53,379 INFO [main.py:798]
{rank 0/64} MD step = 283100 step time: 00:00:00.333795 Performance: 30.152 ns/day 0.796 hours/ns 1.745 steps/s 2024-05-18 16:01:58,639 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 89.625 -19233 9823 -29056 -29056 3.5645 -0.035621 -1.6001 5.6661e+05 2024-05-18 16:02:33,649 INFO [main.py:798]
{rank 0/64} MD step = 283200 step time: 00:00:00.329299 Performance: 30.155 ns/day 0.796 hours/ns 1.745 steps/s 2024-05-18 16:02:41,077 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 90.024 -19385 9866.8 -29252 -29252 3.562 -0.036126 -1.6016 5.6677e+05 2024-05-18 16:03:15,764 INFO [main.py:798]
{rank 0/64} MD step = 283300 step time: 00:00:00.334081 Performance: 30.158 ns/day 0.796 hours/ns 1.745 steps/s 2024-05-18 16:03:21,291 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 90.465 -19053 9915.1 -28968 -28968 3.5609 -0.036245 -1.6025 5.6699e+05 2024-05-18 16:03:56,011 INFO [main.py:798]
{rank 0/64} MD step = 283400 step time: 00:00:00.331586 Performance: 30.161 ns/day 0.796 hours/ns 1.745 steps/s 2024-05-18 16:04:02,115 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 89.967 -19369 9860.5 -29230 -29230 3.5591 -0.037659 -1.6037 5.672e+05 2024-05-18 16:04:38,627 INFO [main.py:798]
{rank 0/64} MD step = 283500 step time: 00:00:00.327842 Performance: 30.164 ns/day 0.796 hours/ns 1.746 steps/s 2024-05-18 16:04:48,655 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 90.934 -19046 9966.5 -29012 -29012 3.5563 -0.038497 -1.6037 5.6744e+05 2024-05-18 16:05:24,348 INFO [main.py:798]
{rank 0/64} MD step = 283600 step time: 00:00:00.331732 Performance: 30.166 ns/day 0.796 hours/ns 1.746 steps/s 2024-05-18 16:05:28,695 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 89.461 -19416 9805.1 -29221 -29221 3.5543 -0.039755 -1.6049 5.676e+05 2024-05-18 16:06:05,330 INFO [main.py:798]
{rank 0/64} MD step = 283700 step time: 00:00:00.328556 Performance: 30.169 ns/day 0.796 hours/ns 1.746 steps/s 2024-05-18 16:06:11,520 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 89.639 -19447 9824.6 -29272 -29272 3.554 -0.040078 -1.6066 5.6779e+05 2024-05-18 16:06:46,441 INFO [main.py:798]
{rank 0/64} MD step = 283800 step time: 00:00:00.357087 Performance: 30.172 ns/day 0.795 hours/ns 1.746 steps/s 2024-05-18 16:06:52,494 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 89.37 -19205 9795.1 -29000 -29000 3.5537 -0.040936 -1.6078 5.6799e+05 2024-05-18 16:07:29,844 INFO [main.py:798]
{rank 0/64} MD step = 283900 step time: 00:00:00.370462 Performance: 30.175 ns/day 0.795 hours/ns 1.746 steps/s 2024-05-18 16:07:35,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283900 56780 90.885 -19138 9961.1 -29099 -29099 3.5524 -0.04286 -1.6081 5.6821e+05 2024-05-18 16:08:10,277 INFO [main.py:798]
{rank 0/64} MD step = 284000 step time: 00:00:00.336030 Performance: 30.178 ns/day 0.795 hours/ns 1.746 steps/s 2024-05-18 16:08:16,581 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 90.167 -19280 9882.4 -29162 -29162 3.55 -0.043279 -1.6081 5.6837e+05 2024-05-18 16:08:51,121 INFO [main.py:798]
{rank 0/64} MD step = 284100 step time: 00:00:00.345918 Performance: 30.181 ns/day 0.795 hours/ns 1.747 steps/s 2024-05-18 16:08:56,218 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 90.219 -19200 9888.2 -29088 -29088 3.5492 -0.043679 -1.6086 5.686e+05 2024-05-18 16:09:31,164 INFO [main.py:798]
{rank 0/64} MD step = 284200 step time: 00:00:00.359506 Performance: 30.184 ns/day 0.795 hours/ns 1.747 steps/s 2024-05-18 16:09:37,322 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 92.379 -18947 10125 -29072 -29072 3.5459 -0.042593 -1.6096 5.6876e+05 2024-05-18 16:10:13,339 INFO [main.py:798]
{rank 0/64} MD step = 284300 step time: 00:00:00.383248 Performance: 30.187 ns/day 0.795 hours/ns 1.747 steps/s 2024-05-18 16:10:19,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284300 56860 90.444 -19063 9912.8 -28976 -28976 3.5442 -0.042593 -1.6099 5.6895e+05 2024-05-18 16:10:53,568 INFO [main.py:798]
{rank 0/64} MD step = 284400 step time: 00:00:00.361522 Performance: 30.190 ns/day 0.795 hours/ns 1.747 steps/s 2024-05-18 16:10:58,875 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 89.34 -19432 9791.7 -29224 -29224 3.5439 -0.043717 -1.6112 5.6911e+05 2024-05-18 16:11:33,683 INFO [main.py:798]
{rank 0/64} MD step = 284500 step time: 00:00:00.356129 Performance: 30.193 ns/day 0.795 hours/ns 1.747 steps/s 2024-05-18 16:11:43,772 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 89.43 -19269 9801.7 -29070 -29070 3.5416 -0.044612 -1.6115 5.6935e+05 2024-05-18 16:12:18,152 INFO [main.py:798]
{rank 0/64} MD step = 284600 step time: 00:00:00.329065 Performance: 30.196 ns/day 0.795 hours/ns 1.747 steps/s 2024-05-18 16:12:23,076 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 88.315 -19441 9679.4 -29121 -29121 3.5402 -0.045241 -1.6121 5.6953e+05 2024-05-18 16:12:59,442 INFO [main.py:798]
{rank 0/64} MD step = 284700 step time: 00:00:00.352482 Performance: 30.199 ns/day 0.795 hours/ns 1.748 steps/s 2024-05-18 16:13:04,332 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 91.403 -19166 10018 -29184 -29184 3.5392 -0.045584 -1.6118 5.6973e+05 2024-05-18 16:13:39,471 INFO [main.py:798]
{rank 0/64} MD step = 284800 step time: 00:00:00.355179 Performance: 30.202 ns/day 0.795 hours/ns 1.748 steps/s 2024-05-18 16:13:45,070 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 89.223 -19453 9779 -29232 -29232 3.5383 -0.046707 -1.6117 5.6989e+05 2024-05-18 16:14:20,411 INFO [main.py:798]
{rank 0/64} MD step = 284900 step time: 00:00:00.352066 Performance: 30.205 ns/day 0.795 hours/ns 1.748 steps/s 2024-05-18 16:14:25,258 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 89.717 -19203 9833.1 -29036 -29036 3.539 -0.046631 -1.613 5.7016e+05 2024-05-18 16:14:59,990 INFO [main.py:798]
{rank 0/64} MD step = 285000 step time: 00:00:00.365166 Performance: 30.208 ns/day 0.794 hours/ns 1.748 steps/s 2024-05-18 16:15:06,455 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 91.186 -19259 9994.1 -29253 -29253 3.5381 -0.047622 -1.6139 5.7036e+05 2024-05-18 16:15:42,733 INFO [main.py:798]
{rank 0/64} MD step = 285100 step time: 00:00:00.376625 Performance: 30.211 ns/day 0.794 hours/ns 1.748 steps/s 2024-05-18 16:15:48,120 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 89.641 -19540 9824.7 -29365 -29365 3.5367 -0.049384 -1.6135 5.7056e+05 2024-05-18 16:16:22,681 INFO [main.py:798]
{rank 0/64} MD step = 285200 step time: 00:00:00.352663 Performance: 30.214 ns/day 0.794 hours/ns 1.748 steps/s 2024-05-18 16:16:28,498 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 89.674 -19295 9828.4 -29124 -29124 3.5365 -0.052512 -1.6144 5.7078e+05 2024-05-18 16:17:03,361 INFO [main.py:798]
{rank 0/64} MD step = 285300 step time: 00:00:00.346882 Performance: 30.217 ns/day 0.794 hours/ns 1.749 steps/s 2024-05-18 16:17:09,286 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 89.577 -19462 9817.7 -29280 -29280 3.5363 -0.052308 -1.6138 5.7098e+05 2024-05-18 16:17:43,865 INFO [main.py:798]
{rank 0/64} MD step = 285400 step time: 00:00:00.338377 Performance: 30.220 ns/day 0.794 hours/ns 1.749 steps/s 2024-05-18 16:17:49,102 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 89.411 -19482 9799.6 -29282 -29282 3.5356 -0.05326 -1.6162 5.7119e+05 2024-05-18 16:18:23,692 INFO [main.py:798]
{rank 0/64} MD step = 285500 step time: 00:00:00.349167 Performance: 30.223 ns/day 0.794 hours/ns 1.749 steps/s 2024-05-18 16:18:37,902 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 91.069 -19303 9981.3 -29284 -29284 3.5329 -0.053051 -1.6177 5.7137e+05 2024-05-18 16:19:15,387 INFO [main.py:798]
{rank 0/64} MD step = 285600 step time: 00:00:00.374722 Performance: 30.224 ns/day 0.794 hours/ns 1.749 steps/s 2024-05-18 16:19:20,485 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 89.973 -19432 9861.1 -29293 -29293 3.5321 -0.053946 -1.6168 5.7159e+05 2024-05-18 16:19:55,404 INFO [main.py:798]
{rank 0/64} MD step = 285700 step time: 00:00:00.355639 Performance: 30.227 ns/day 0.794 hours/ns 1.749 steps/s 2024-05-18 16:20:01,889 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 90.038 -19197 9868.3 -29066 -29066 3.5318 -0.054689 -1.6182 5.7181e+05 2024-05-18 16:20:36,775 INFO [main.py:798]
{rank 0/64} MD step = 285800 step time: 00:00:00.360971 Performance: 30.230 ns/day 0.794 hours/ns 1.749 steps/s 2024-05-18 16:20:41,967 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 89.963 -19499 9860.1 -29359 -29359 3.53 -0.054708 -1.6172 5.7198e+05 2024-05-18 16:21:17,861 INFO [main.py:798]
{rank 0/64} MD step = 285900 step time: 00:00:00.343326 Performance: 30.233 ns/day 0.794 hours/ns 1.750 steps/s 2024-05-18 16:21:24,147 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 90.203 -19461 9886.3 -29347 -29347 3.5264 -0.053679 -1.6198 5.722e+05 2024-05-18 16:21:59,863 INFO [main.py:798]
{rank 0/64} MD step = 286000 step time: 00:00:00.353328 Performance: 30.236 ns/day 0.794 hours/ns 1.750 steps/s 2024-05-18 16:22:06,144 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 90.257 -19418 9892.2 -29311 -29311 3.5252 -0.053308 -1.6207 5.7237e+05 2024-05-18 16:22:41,330 INFO [main.py:798]
{rank 0/64} MD step = 286100 step time: 00:00:00.352898 Performance: 30.239 ns/day 0.794 hours/ns 1.750 steps/s 2024-05-18 16:22:46,598 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 89.916 -19459 9854.9 -29314 -29314 3.5229 -0.055636 -1.6205 5.7262e+05 2024-05-18 16:23:22,650 INFO [main.py:798]
{rank 0/64} MD step = 286200 step time: 00:00:00.375613 Performance: 30.242 ns/day 0.794 hours/ns 1.750 steps/s 2024-05-18 16:23:28,322 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 90.39 -19283 9906.8 -29189 -29189 3.5217 -0.057432 -1.6204 5.7284e+05 2024-05-18 16:24:05,383 INFO [main.py:798]
{rank 0/64} MD step = 286300 step time: 00:00:00.359996 Performance: 30.245 ns/day 0.794 hours/ns 1.750 steps/s 2024-05-18 16:24:13,491 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 90.701 -19189 9940.9 -29130 -29130 3.5209 -0.057565 -1.621 5.7299e+05 2024-05-18 16:24:47,280 INFO [main.py:798]
{rank 0/64} MD step = 286400 step time: 00:00:00.344188 Performance: 30.247 ns/day 0.793 hours/ns 1.750 steps/s 2024-05-18 16:24:52,639 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 90.11 -19401 9876.2 -29277 -29277 3.5198 -0.058708 -1.6218 5.7319e+05 2024-05-18 16:25:28,079 INFO [main.py:798]
{rank 0/64} MD step = 286500 step time: 00:00:00.349293 Performance: 30.250 ns/day 0.793 hours/ns 1.751 steps/s 2024-05-18 16:25:33,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286500 57300 91.549 -19356 10034 -29390 -29390 3.5196 -0.061099 -1.6218 5.734e+05 2024-05-18 16:26:10,277 INFO [main.py:798]
{rank 0/64} MD step = 286600 step time: 00:00:00.351694 Performance: 30.253 ns/day 0.793 hours/ns 1.751 steps/s 2024-05-18 16:26:15,902 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 89.296 -19465 9787 -29252 -29252 3.5178 -0.060194 -1.6236 5.7358e+05 2024-05-18 16:26:50,422 INFO [main.py:798]
{rank 0/64} MD step = 286700 step time: 00:00:00.357350 Performance: 30.256 ns/day 0.793 hours/ns 1.751 steps/s 2024-05-18 16:26:57,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286700 57340 87.977 -19712 9642.3 -29354 -29354 3.5163 -0.061565 -1.624 5.7379e+05 2024-05-18 16:27:31,377 INFO [main.py:798]
{rank 0/64} MD step = 286800 step time: 00:00:00.356808 Performance: 30.259 ns/day 0.793 hours/ns 1.751 steps/s 2024-05-18 16:27:37,887 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 89.536 -19446 9813.2 -29259 -29259 3.5167 -0.062727 -1.6239 5.7399e+05 2024-05-18 16:28:13,008 INFO [main.py:798]
{rank 0/64} MD step = 286900 step time: 00:00:00.354163 Performance: 30.262 ns/day 0.793 hours/ns 1.751 steps/s 2024-05-18 16:28:20,379 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 89.464 -19374 9805.4 -29179 -29179 3.5161 -0.063642 -1.6259 5.7415e+05 2024-05-18 16:28:55,700 INFO [main.py:798]
{rank 0/64} MD step = 287000 step time: 00:00:00.385235 Performance: 30.265 ns/day 0.793 hours/ns 1.751 steps/s 2024-05-18 16:29:01,879 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 89.674 -19282 9828.4 -29110 -29110 3.5164 -0.065527 -1.6264 5.744e+05 2024-05-18 16:29:36,523 INFO [main.py:798]
{rank 0/64} MD step = 287100 step time: 00:00:00.361547 Performance: 30.268 ns/day 0.793 hours/ns 1.752 steps/s 2024-05-18 16:29:42,439 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 90.846 -18944 9956.8 -28900 -28900 3.5163 -0.06648 -1.6281 5.7459e+05 2024-05-18 16:30:17,251 INFO [main.py:798]
{rank 0/64} MD step = 287200 step time: 00:00:00.356141 Performance: 30.271 ns/day 0.793 hours/ns 1.752 steps/s 2024-05-18 16:30:21,640 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 89.94 -19260 9857.5 -29118 -29118 3.5147 -0.068537 -1.6285 5.7477e+05 2024-05-18 16:30:57,878 INFO [main.py:798]
{rank 0/64} MD step = 287300 step time: 00:00:00.386314 Performance: 30.274 ns/day 0.793 hours/ns 1.752 steps/s 2024-05-18 16:31:03,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287300 57460 89.774 -19111 9839.4 -28950 -28950 3.5142 -0.070975 -1.629 5.7502e+05 2024-05-18 16:31:37,835 INFO [main.py:798]
{rank 0/64} MD step = 287400 step time: 00:00:00.351275 Performance: 30.277 ns/day 0.793 hours/ns 1.752 steps/s 2024-05-18 16:31:42,636 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 88.898 -19070 9743.3 -28814 -28814 3.513 -0.070928 -1.63 5.7523e+05 2024-05-18 16:32:19,125 INFO [main.py:798]
{rank 0/64} MD step = 287500 step time: 00:00:00.352618 Performance: 30.280 ns/day 0.793 hours/ns 1.752 steps/s 2024-05-18 16:32:24,192 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 90.013 -18943 9865.6 -28809 -28809 3.5131 -0.072766 -1.6284 5.7542e+05 2024-05-18 16:32:59,420 INFO [main.py:798]
{rank 0/64} MD step = 287600 step time: 00:00:00.349933 Performance: 30.283 ns/day 0.793 hours/ns 1.752 steps/s 2024-05-18 16:33:05,925 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 89.17 -19111 9773.2 -28884 -28884 3.5154 -0.074766 -1.6291 5.7559e+05 2024-05-18 16:33:40,269 INFO [main.py:798]
{rank 0/64} MD step = 287700 step time: 00:00:00.347250 Performance: 30.286 ns/day 0.792 hours/ns 1.753 steps/s 2024-05-18 16:33:45,854 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 90.763 -18849 9947.7 -28797 -28797 3.5152 -0.077204 -1.6294 5.758e+05 2024-05-18 16:34:20,090 INFO [main.py:798]
{rank 0/64} MD step = 287800 step time: 00:00:00.348575 Performance: 30.289 ns/day 0.792 hours/ns 1.753 steps/s 2024-05-18 16:34:25,927 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 91.006 -18628 9974.3 -28602 -28602 3.5159 -0.07829 -1.6305 5.7607e+05 2024-05-18 16:35:01,138 INFO [main.py:798]
{rank 0/64} MD step = 287900 step time: 00:00:00.373577 Performance: 30.292 ns/day 0.792 hours/ns 1.753 steps/s 2024-05-18 16:35:14,405 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 88.955 -18868 9749.5 -28618 -28618 3.5165 -0.080405 -1.6326 5.7625e+05 2024-05-18 16:35:49,700 INFO [main.py:798]
{rank 0/64} MD step = 288000 step time: 00:00:00.384863 Performance: 30.294 ns/day 0.792 hours/ns 1.753 steps/s 2024-05-18 16:35:56,246 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 90.379 -18825 9905.7 -28731 -28731 3.5214 -0.082247 -1.633 5.7644e+05 2024-05-18 16:36:31,048 INFO [main.py:798]
{rank 0/64} MD step = 288100 step time: 00:00:00.355466 Performance: 30.297 ns/day 0.792 hours/ns 1.753 steps/s 2024-05-18 16:36:36,896 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 90.873 -18917 9959.8 -28876 -28876 3.5225 -0.082024 -1.6336 5.7656e+05 2024-05-18 16:37:11,293 INFO [main.py:798]
{rank 0/64} MD step = 288200 step time: 00:00:00.348667 Performance: 30.300 ns/day 0.792 hours/ns 1.753 steps/s 2024-05-18 16:37:16,398 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 90.296 -18998 9896.6 -28894 -28894 3.522 -0.084843 -1.6346 5.7675e+05 2024-05-18 16:37:50,749 INFO [main.py:798]
{rank 0/64} MD step = 288300 step time: 00:00:00.343955 Performance: 30.303 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 16:37:57,811 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 90.992 -18941 9972.9 -28914 -28914 3.5219 -0.086729 -1.6349 5.7695e+05 2024-05-18 16:38:33,858 INFO [main.py:798]
{rank 0/64} MD step = 288400 step time: 00:00:00.352687 Performance: 30.306 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 16:38:39,192 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 89.989 -19199 9862.9 -29062 -29062 3.5225 -0.087186 -1.6359 5.7713e+05 2024-05-18 16:39:13,839 INFO [main.py:798]
{rank 0/64} MD step = 288500 step time: 00:00:00.342324 Performance: 30.309 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 16:39:19,709 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 92.108 -18879 10095 -28974 -28974 3.5233 -0.089491 -1.6374 5.7734e+05 2024-05-18 16:39:54,212 INFO [main.py:798]
{rank 0/64} MD step = 288600 step time: 00:00:00.336877 Performance: 30.312 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 16:40:00,836 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 90.15 -19107 9880.5 -28987 -28987 3.5253 -0.088729 -1.6376 5.7755e+05 2024-05-18 16:40:36,629 INFO [main.py:798]
{rank 0/64} MD step = 288700 step time: 00:00:00.351644 Performance: 30.314 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 16:40:43,584 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 90.231 -19231 9889.4 -29121 -29121 3.526 -0.089424 -1.6369 5.7773e+05 2024-05-18 16:41:18,097 INFO [main.py:798]
{rank 0/64} MD step = 288800 step time: 00:00:00.337858 Performance: 30.317 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 16:41:22,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288800 57760 88.596 -19271 9710.2 -28981 -28981 3.5261 -0.088543 -1.638 5.7791e+05 2024-05-18 16:41:57,430 INFO [main.py:798]
{rank 0/64} MD step = 288900 step time: 00:00:00.355342 Performance: 30.321 ns/day 0.792 hours/ns 1.755 steps/s 2024-05-18 16:42:03,617 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 89.065 -19265 9761.7 -29027 -29027 3.5271 -0.090157 -1.638 5.7814e+05 2024-05-18 16:42:38,240 INFO [main.py:798]
{rank 0/64} MD step = 289000 step time: 00:00:00.353401 Performance: 30.324 ns/day 0.791 hours/ns 1.755 steps/s 2024-05-18 16:42:43,826 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 90.659 -18958 9936.4 -28894 -28894 3.5279 -0.090862 -1.6393 5.7832e+05 2024-05-18 16:43:18,519 INFO [main.py:798]
{rank 0/64} MD step = 289100 step time: 00:00:00.338775 Performance: 30.327 ns/day 0.791 hours/ns 1.755 steps/s 2024-05-18 16:43:24,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289100 57820 89.862 -19111 9849 -28960 -28960 3.5306 -0.093662 -1.6404 5.785e+05 2024-05-18 16:43:59,477 INFO [main.py:798]
{rank 0/64} MD step = 289200 step time: 00:00:00.328880 Performance: 30.330 ns/day 0.791 hours/ns 1.755 steps/s 2024-05-18 16:44:04,474 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 89.956 -19297 9859.3 -29156 -29156 3.5313 -0.092119 -1.6418 5.7866e+05 2024-05-18 16:44:38,750 INFO [main.py:798]
{rank 0/64} MD step = 289300 step time: 00:00:00.337139 Performance: 30.333 ns/day 0.791 hours/ns 1.755 steps/s 2024-05-18 16:44:42,793 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 89.467 -19181 9805.7 -28987 -28987 3.5339 -0.09511 -1.6436 5.7893e+05 2024-05-18 16:45:19,141 INFO [main.py:798]
{rank 0/64} MD step = 289400 step time: 00:00:00.332580 Performance: 30.336 ns/day 0.791 hours/ns 1.756 steps/s 2024-05-18 16:45:24,655 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 91.129 -19058 9987.9 -29046 -29046 3.5363 -0.096377 -1.645 5.7907e+05 2024-05-18 16:45:59,444 INFO [main.py:798]
{rank 0/64} MD step = 289500 step time: 00:00:00.340665 Performance: 30.339 ns/day 0.791 hours/ns 1.756 steps/s 2024-05-18 16:46:06,100 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 89.826 -19317 9845 -29162 -29162 3.5373 -0.096139 -1.6462 5.7922e+05 2024-05-18 16:46:40,350 INFO [main.py:798]
{rank 0/64} MD step = 289600 step time: 00:00:00.354309 Performance: 30.342 ns/day 0.791 hours/ns 1.756 steps/s 2024-05-18 16:46:45,696 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 90.069 -19175 9871.7 -29046 -29046 3.539 -0.099396 -1.6466 5.7946e+05 2024-05-18 16:47:20,172 INFO [main.py:798]
{rank 0/64} MD step = 289700 step time: 00:00:00.353030 Performance: 30.345 ns/day 0.791 hours/ns 1.756 steps/s 2024-05-18 16:47:25,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289700 57940 90.601 -18983 9930 -28913 -28913 3.5405 -0.10058 -1.6479 5.7966e+05 2024-05-18 16:48:01,083 INFO [main.py:798]
{rank 0/64} MD step = 289800 step time: 00:00:00.374919 Performance: 30.348 ns/day 0.791 hours/ns 1.756 steps/s 2024-05-18 16:48:06,854 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 89.494 -19403 9808.6 -29211 -29211 3.5425 -0.10062 -1.6476 5.7983e+05 2024-05-18 16:48:40,690 INFO [main.py:798]
{rank 0/64} MD step = 289900 step time: 00:00:00.331586 Performance: 30.351 ns/day 0.791 hours/ns 1.756 steps/s 2024-05-18 16:48:54,306 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 89.793 -19178 9841.4 -29019 -29019 3.5435 -0.099625 -1.6476 5.8008e+05 2024-05-18 16:49:29,516 INFO [main.py:798]
{rank 0/64} MD step = 290000 step time: 00:00:00.326311 Performance: 30.353 ns/day 0.791 hours/ns 1.757 steps/s 2024-05-18 16:49:34,793 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 89.249 -19263 9781.8 -29045 -29045 3.544 -0.10025 -1.6473 5.803e+05 2024-05-18 16:50:09,510 INFO [main.py:798]
{rank 0/64} MD step = 290100 step time: 00:00:00.341442 Performance: 30.356 ns/day 0.791 hours/ns 1.757 steps/s 2024-05-18 16:50:18,782 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 89.753 -19460 9837 -29297 -29297 3.5466 -0.10077 -1.6493 5.8048e+05 2024-05-18 16:50:56,445 INFO [main.py:798]
{rank 0/64} MD step = 290200 step time: 00:00:00.368005 Performance: 30.358 ns/day 0.791 hours/ns 1.757 steps/s 2024-05-18 16:51:02,532 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 89.664 -19378 9827.3 -29205 -29205 3.5493 -0.10233 -1.65 5.8069e+05 2024-05-18 16:51:38,782 INFO [main.py:798]
{rank 0/64} MD step = 290300 step time: 00:00:00.349969 Performance: 30.360 ns/day 0.791 hours/ns 1.757 steps/s 2024-05-18 16:51:45,233 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 90.257 -19372 9892.3 -29265 -29265 3.5501 -0.10433 -1.6512 5.8085e+05 2024-05-18 16:52:20,352 INFO [main.py:798]
{rank 0/64} MD step = 290400 step time: 00:00:00.345268 Performance: 30.363 ns/day 0.790 hours/ns 1.757 steps/s 2024-05-18 16:52:44,708 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 88.532 -19290 9703.2 -28994 -28994 3.5503 -0.1052 -1.6521 5.8107e+05 2024-05-18 16:53:19,024 INFO [main.py:798]
{rank 0/64} MD step = 290500 step time: 00:00:00.380259 Performance: 30.363 ns/day 0.790 hours/ns 1.757 steps/s 2024-05-18 16:53:25,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290500 58100 89.861 -19248 9848.9 -29097 -29097 3.5498 -0.1061 -1.6515 5.8128e+05 2024-05-18 16:53:59,833 INFO [main.py:798]
{rank 0/64} MD step = 290600 step time: 00:00:00.333525 Performance: 30.366 ns/day 0.790 hours/ns 1.757 steps/s 2024-05-18 16:54:11,215 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 91.022 -19137 9976.1 -29113 -29113 3.5483 -0.10753 -1.6532 5.8151e+05 2024-05-18 16:54:46,262 INFO [main.py:798]
{rank 0/64} MD step = 290700 step time: 00:00:00.370956 Performance: 30.368 ns/day 0.790 hours/ns 1.757 steps/s 2024-05-18 16:55:27,208 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 90.411 -19163 9909.2 -29072 -29072 3.5504 -0.10827 -1.6534 5.8167e+05 2024-05-18 16:56:02,292 INFO [main.py:798]
{rank 0/64} MD step = 290800 step time: 00:00:00.344992 Performance: 30.364 ns/day 0.790 hours/ns 1.757 steps/s 2024-05-18 16:56:08,994 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 89.275 -19174 9784.6 -28958 -28958 3.5511 -0.11079 -1.6525 5.819e+05 2024-05-18 16:56:43,611 INFO [main.py:798]
{rank 0/64} MD step = 290900 step time: 00:00:00.348962 Performance: 30.367 ns/day 0.790 hours/ns 1.757 steps/s 2024-05-18 16:56:52,034 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 89.924 -19055 9855.8 -28911 -28911 3.552 -0.11111 -1.6525 5.8208e+05 2024-05-18 16:57:26,939 INFO [main.py:798]
{rank 0/64} MD step = 291000 step time: 00:00:00.361584 Performance: 30.370 ns/day 0.790 hours/ns 1.757 steps/s 2024-05-18 16:57:34,075 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 90.165 -19182 9882.2 -29064 -29064 3.5566 -0.11256 -1.6526 5.8229e+05 2024-05-18 16:58:11,443 INFO [main.py:798]
{rank 0/64} MD step = 291100 step time: 00:00:00.327947 Performance: 30.372 ns/day 0.790 hours/ns 1.758 steps/s 2024-05-18 16:58:19,797 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 90.368 -19153 9904.5 -29058 -29058 3.5576 -0.11341 -1.6538 5.8247e+05 2024-05-18 16:58:55,943 INFO [main.py:798]
{rank 0/64} MD step = 291200 step time: 00:00:00.331180 Performance: 30.374 ns/day 0.790 hours/ns 1.758 steps/s 2024-05-18 16:59:01,474 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 89.916 -19269 9854.9 -29124 -29124 3.5581 -0.11563 -1.6556 5.8263e+05 2024-05-18 16:59:36,155 INFO [main.py:798]
{rank 0/64} MD step = 291300 step time: 00:00:00.356541 Performance: 30.377 ns/day 0.790 hours/ns 1.758 steps/s 2024-05-18 16:59:40,810 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 88.861 -19277 9739.3 -29017 -29017 3.5577 -0.11913 -1.6556 5.8287e+05 2024-05-18 17:00:17,423 INFO [main.py:798]
{rank 0/64} MD step = 291400 step time: 00:00:00.334217 Performance: 30.380 ns/day 0.790 hours/ns 1.758 steps/s 2024-05-18 17:00:22,725 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 89.886 -19188 9851.6 -29040 -29040 3.5595 -0.12071 -1.657 5.8307e+05 2024-05-18 17:00:57,540 INFO [main.py:798]
{rank 0/64} MD step = 291500 step time: 00:00:00.339453 Performance: 30.383 ns/day 0.790 hours/ns 1.758 steps/s 2024-05-18 17:01:03,328 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 90.502 -19192 9919.1 -29111 -29111 3.5596 -0.12157 -1.6578 5.8326e+05 2024-05-18 17:01:40,382 INFO [main.py:798]
{rank 0/64} MD step = 291600 step time: 00:00:00.372878 Performance: 30.386 ns/day 0.790 hours/ns 1.758 steps/s 2024-05-18 17:01:46,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291600 58320 89.966 -19148 9860.4 -29008 -29008 3.5614 -0.12252 -1.6589 5.8344e+05 2024-05-18 17:02:21,255 INFO [main.py:798]
{rank 0/64} MD step = 291700 step time: 00:00:00.341378 Performance: 30.389 ns/day 0.790 hours/ns 1.759 steps/s 2024-05-18 17:02:26,103 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 91.349 -19012 10012 -29024 -29024 3.5601 -0.12519 -1.658 5.8366e+05 2024-05-18 17:03:02,470 INFO [main.py:798]
{rank 0/64} MD step = 291800 step time: 00:00:00.331032 Performance: 30.391 ns/day 0.790 hours/ns 1.759 steps/s 2024-05-18 17:03:08,196 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 89.2 -19188 9776.4 -28964 -28964 3.5611 -0.12794 -1.6585 5.8386e+05 2024-05-18 17:03:43,092 INFO [main.py:798]
{rank 0/64} MD step = 291900 step time: 00:00:00.345904 Performance: 30.394 ns/day 0.790 hours/ns 1.759 steps/s 2024-05-18 17:03:49,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291900 58380 89.183 -19395 9774.6 -29170 -29170 3.5644 -0.12812 -1.6602 5.8404e+05 2024-05-18 17:04:24,544 INFO [main.py:798]
{rank 0/64} MD step = 292000 step time: 00:00:00.336699 Performance: 30.397 ns/day 0.790 hours/ns 1.759 steps/s 2024-05-18 17:04:29,874 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 88.574 -19293 9707.8 -29001 -29001 3.5655 -0.13037 -1.663 5.8426e+05 2024-05-18 17:05:04,763 INFO [main.py:798]
{rank 0/64} MD step = 292100 step time: 00:00:00.351802 Performance: 30.400 ns/day 0.789 hours/ns 1.759 steps/s 2024-05-18 17:05:09,514 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 90.458 -19135 9914.3 -29049 -29049 3.5671 -0.13062 -1.6638 5.8445e+05 2024-05-18 17:05:45,996 INFO [main.py:798]
{rank 0/64} MD step = 292200 step time: 00:00:00.355519 Performance: 30.403 ns/day 0.789 hours/ns 1.759 steps/s 2024-05-18 17:05:52,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292200 58440 89.59 -19303 9819.1 -29122 -29122 3.5689 -0.13149 -1.6646 5.8463e+05 2024-05-18 17:06:27,142 INFO [main.py:798]
{rank 0/64} MD step = 292300 step time: 00:00:00.330564 Performance: 30.406 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-18 17:06:34,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292300 58460 91.306 -19093 10007 -29100 -29100 3.569 -0.13441 -1.666 5.8482e+05 2024-05-18 17:07:09,185 INFO [main.py:798]
{rank 0/64} MD step = 292400 step time: 00:00:00.334977 Performance: 30.409 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-18 17:07:17,415 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 90.395 -19080 9907.4 -28988 -28988 3.5702 -0.13528 -1.6656 5.8503e+05 2024-05-18 17:07:54,481 INFO [main.py:798]
{rank 0/64} MD step = 292500 step time: 00:00:00.377021 Performance: 30.411 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-18 17:08:01,009 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 90.415 -19073 9909.6 -28983 -28983 3.573 -0.13595 -1.665 5.8524e+05 2024-05-18 17:08:35,500 INFO [main.py:798]
{rank 0/64} MD step = 292600 step time: 00:00:00.346458 Performance: 30.414 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-18 17:08:41,710 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 89.812 -19358 9843.5 -29202 -29202 3.5744 -0.13845 -1.664 5.8545e+05 2024-05-18 17:09:17,198 INFO [main.py:798]
{rank 0/64} MD step = 292700 step time: 00:00:00.337721 Performance: 30.416 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-18 17:09:23,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292700 58540 89.062 -19395 9761.3 -29156 -29156 3.5768 -0.14096 -1.6643 5.8562e+05 2024-05-18 17:09:57,819 INFO [main.py:798]
{rank 0/64} MD step = 292800 step time: 00:00:00.352708 Performance: 30.419 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-18 17:10:04,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292800 58560 90.479 -19194 9916.6 -29111 -29111 3.5785 -0.14166 -1.6663 5.8586e+05 2024-05-18 17:10:40,536 INFO [main.py:798]
{rank 0/64} MD step = 292900 step time: 00:00:00.374529 Performance: 30.422 ns/day 0.789 hours/ns 1.761 steps/s 2024-05-18 17:10:46,647 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 89.39 -19384 9797.2 -29182 -29182 3.5787 -0.14146 -1.6662 5.8605e+05 2024-05-18 17:11:21,286 INFO [main.py:798]
{rank 0/64} MD step = 293000 step time: 00:00:00.356047 Performance: 30.425 ns/day 0.789 hours/ns 1.761 steps/s 2024-05-18 17:11:26,166 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 89.064 -19386 9761.5 -29148 -29148 3.5797 -0.14325 -1.6663 5.8629e+05 2024-05-18 17:12:02,447 INFO [main.py:798]
{rank 0/64} MD step = 293100 step time: 00:00:00.381207 Performance: 30.428 ns/day 0.789 hours/ns 1.761 steps/s 2024-05-18 17:12:08,425 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 91.43 -19212 10021 -29233 -29233 3.582 -0.14507 -1.6666 5.8647e+05 2024-05-18 17:12:42,652 INFO [main.py:798]
{rank 0/64} MD step = 293200 step time: 00:00:00.338958 Performance: 30.431 ns/day 0.789 hours/ns 1.761 steps/s 2024-05-18 17:12:49,614 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 89.955 -19198 9859.2 -29057 -29057 3.5815 -0.1458 -1.6675 5.8669e+05 2024-05-18 17:13:24,104 INFO [main.py:798]
{rank 0/64} MD step = 293300 step time: 00:00:00.346668 Performance: 30.434 ns/day 0.789 hours/ns 1.761 steps/s 2024-05-18 17:13:30,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293300 58660 89.967 -19245 9860.4 -29105 -29105 3.5831 -0.14908 -1.669 5.8687e+05 2024-05-18 17:14:05,374 INFO [main.py:798]
{rank 0/64} MD step = 293400 step time: 00:00:00.360663 Performance: 30.436 ns/day 0.789 hours/ns 1.761 steps/s 2024-05-18 17:14:11,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293400 58680 88.395 -19439 9688.1 -29127 -29127 3.5858 -0.15161 -1.6693 5.8712e+05 2024-05-18 17:14:46,350 INFO [main.py:798]
{rank 0/64} MD step = 293500 step time: 00:00:00.357113 Performance: 30.439 ns/day 0.788 hours/ns 1.762 steps/s 2024-05-18 17:14:55,075 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 90.154 -19323 9881 -29204 -29204 3.5846 -0.15317 -1.6693 5.8728e+05 2024-05-18 17:15:30,341 INFO [main.py:798]
{rank 0/64} MD step = 293600 step time: 00:00:00.338480 Performance: 30.442 ns/day 0.788 hours/ns 1.762 steps/s 2024-05-18 17:15:35,585 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 89.76 -19425 9837.8 -29263 -29263 3.584 -0.15501 -1.6713 5.8747e+05 2024-05-18 17:16:10,107 INFO [main.py:798]
{rank 0/64} MD step = 293700 step time: 00:00:00.351425 Performance: 30.445 ns/day 0.788 hours/ns 1.762 steps/s 2024-05-18 17:16:16,264 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 88.071 -19643 9652.7 -29296 -29296 3.5865 -0.1546 -1.6709 5.877e+05 2024-05-18 17:16:50,413 INFO [main.py:798]
{rank 0/64} MD step = 293800 step time: 00:00:00.347878 Performance: 30.448 ns/day 0.788 hours/ns 1.762 steps/s 2024-05-18 17:16:55,675 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 89.62 -19115 9822.4 -28937 -28937 3.5867 -0.15521 -1.6737 5.8793e+05 2024-05-18 17:17:30,376 INFO [main.py:798]
{rank 0/64} MD step = 293900 step time: 00:00:00.343326 Performance: 30.451 ns/day 0.788 hours/ns 1.762 steps/s 2024-05-18 17:17:35,992 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 89.411 -19104 9799.6 -28903 -28903 3.5878 -0.15582 -1.6775 5.8814e+05 2024-05-18 17:18:11,619 INFO [main.py:798]
{rank 0/64} MD step = 294000 step time: 00:00:00.380648 Performance: 30.454 ns/day 0.788 hours/ns 1.762 steps/s 2024-05-18 17:18:17,193 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 89.553 -19138 9815.2 -28953 -28953 3.5905 -0.15696 -1.678 5.8831e+05 2024-05-18 17:18:52,972 INFO [main.py:798]
{rank 0/64} MD step = 294100 step time: 00:00:00.378894 Performance: 30.457 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 17:18:59,374 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 89.591 -19130 9819.3 -28950 -28950 3.5899 -0.15955 -1.6771 5.8853e+05 2024-05-18 17:19:33,417 INFO [main.py:798]
{rank 0/64} MD step = 294200 step time: 00:00:00.337564 Performance: 30.459 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 17:19:38,670 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 88.272 -19406 9674.7 -29080 -29080 3.5911 -0.16012 -1.6771 5.8873e+05 2024-05-18 17:20:13,330 INFO [main.py:798]
{rank 0/64} MD step = 294300 step time: 00:00:00.340713 Performance: 30.463 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 17:20:19,034 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 89.141 -18888 9770 -28658 -28658 3.5917 -0.16001 -1.6775 5.8895e+05 2024-05-18 17:20:53,627 INFO [main.py:798]
{rank 0/64} MD step = 294400 step time: 00:00:00.344889 Performance: 30.466 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 17:20:57,352 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 89.793 -19088 9841.4 -28929 -28929 3.5926 -0.15925 -1.6788 5.8916e+05 2024-05-18 17:21:33,425 INFO [main.py:798]
{rank 0/64} MD step = 294500 step time: 00:00:00.373365 Performance: 30.469 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 17:21:51,607 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 91.215 -18956 9997.3 -28953 -28953 3.5948 -0.16077 -1.6793 5.8933e+05 2024-05-18 17:22:26,280 INFO [main.py:798]
{rank 0/64} MD step = 294600 step time: 00:00:00.356953 Performance: 30.469 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 17:22:31,605 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 90.656 -19056 9936 -28992 -28992 3.5947 -0.16085 -1.6795 5.8959e+05 2024-05-18 17:23:06,444 INFO [main.py:798]
{rank 0/64} MD step = 294700 step time: 00:00:00.355191 Performance: 30.472 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 17:23:16,153 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 90.489 -19183 9917.7 -29100 -29100 3.5942 -0.16123 -1.6805 5.8974e+05 2024-05-18 17:23:50,748 INFO [main.py:798]
{rank 0/64} MD step = 294800 step time: 00:00:00.356081 Performance: 30.475 ns/day 0.788 hours/ns 1.764 steps/s 2024-05-18 17:23:57,864 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 90.946 -19115 9967.7 -29083 -29083 3.5932 -0.16372 -1.6806 5.8991e+05 2024-05-18 17:24:32,748 INFO [main.py:798]
{rank 0/64} MD step = 294900 step time: 00:00:00.348154 Performance: 30.477 ns/day 0.787 hours/ns 1.764 steps/s 2024-05-18 17:24:38,686 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 90.406 -18934 9908.6 -28843 -28843 3.5928 -0.16372 -1.6809 5.9015e+05 2024-05-18 17:25:14,922 INFO [main.py:798]
{rank 0/64} MD step = 295000 step time: 00:00:00.356337 Performance: 30.480 ns/day 0.787 hours/ns 1.764 steps/s 2024-05-18 17:25:22,560 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 88.65 -19271 9716.1 -28987 -28987 3.5907 -0.16405 -1.6803 5.9031e+05 2024-05-18 17:25:58,961 INFO [main.py:798]
{rank 0/64} MD step = 295100 step time: 00:00:00.375481 Performance: 30.482 ns/day 0.787 hours/ns 1.764 steps/s 2024-05-18 17:26:07,406 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 91.417 -18790 10019 -28810 -28810 3.5894 -0.1653 -1.6794 5.9056e+05 2024-05-18 17:26:43,244 INFO [main.py:798]
{rank 0/64} MD step = 295200 step time: 00:00:00.376632 Performance: 30.485 ns/day 0.787 hours/ns 1.764 steps/s 2024-05-18 17:26:50,222 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 89.37 -19015 9795.1 -28810 -28810 3.5889 -0.16679 -1.6781 5.9069e+05 2024-05-18 17:27:26,383 INFO [main.py:798]
{rank 0/64} MD step = 295300 step time: 00:00:00.353133 Performance: 30.487 ns/day 0.787 hours/ns 1.764 steps/s 2024-05-18 17:27:33,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295300 59060 89.628 -19079 9823.4 -28903 -28903 3.5872 -0.16923 -1.6789 5.9086e+05 2024-05-18 17:28:08,214 INFO [main.py:798]
{rank 0/64} MD step = 295400 step time: 00:00:00.358284 Performance: 30.490 ns/day 0.787 hours/ns 1.764 steps/s 2024-05-18 17:28:14,212 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 89.885 -19239 9851.5 -29091 -29091 3.5882 -0.17049 -1.6789 5.9105e+05 2024-05-18 17:28:48,885 INFO [main.py:798]
{rank 0/64} MD step = 295500 step time: 00:00:00.351059 Performance: 30.493 ns/day 0.787 hours/ns 1.765 steps/s 2024-05-18 17:28:54,070 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 88.955 -19040 9749.6 -28789 -28789 3.5893 -0.17115 -1.6786 5.9127e+05 2024-05-18 17:29:31,649 INFO [main.py:798]
{rank 0/64} MD step = 295600 step time: 00:00:00.381243 Performance: 30.495 ns/day 0.787 hours/ns 1.765 steps/s 2024-05-18 17:29:37,701 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 90.175 -18986 9883.3 -28869 -28869 3.5886 -0.1732 -1.6805 5.9148e+05 2024-05-18 17:30:12,562 INFO [main.py:798]
{rank 0/64} MD step = 295700 step time: 00:00:00.342551 Performance: 30.498 ns/day 0.787 hours/ns 1.765 steps/s 2024-05-18 17:30:22,451 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 89.085 -19114 9763.8 -28877 -28877 3.589 -0.17502 -1.6819 5.9172e+05 2024-05-18 17:30:57,619 INFO [main.py:798]
{rank 0/64} MD step = 295800 step time: 00:00:00.404661 Performance: 30.500 ns/day 0.787 hours/ns 1.765 steps/s 2024-05-18 17:31:03,247 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 89.215 -19003 9778.1 -28782 -28782 3.5904 -0.17864 -1.6827 5.9197e+05 2024-05-18 17:31:40,394 INFO [main.py:798]
{rank 0/64} MD step = 295900 step time: 00:00:00.359938 Performance: 30.503 ns/day 0.787 hours/ns 1.765 steps/s 2024-05-18 17:31:45,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295900 59180 90.419 -18756 9910.1 -28666 -28666 3.5927 -0.17991 -1.6832 5.9219e+05 2024-05-18 17:32:22,386 INFO [main.py:798]
{rank 0/64} MD step = 296000 step time: 00:00:00.377916 Performance: 30.505 ns/day 0.787 hours/ns 1.765 steps/s 2024-05-18 17:32:27,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296000 59200 89.099 -19262 9765.4 -29028 -29028 3.5929 -0.18189 -1.682 5.9236e+05 2024-05-18 17:33:02,339 INFO [main.py:798]
{rank 0/64} MD step = 296100 step time: 00:00:00.346873 Performance: 30.508 ns/day 0.787 hours/ns 1.766 steps/s 2024-05-18 17:33:07,708 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 90.358 -19139 9903.4 -29043 -29043 3.5914 -0.18479 -1.6817 5.9258e+05 2024-05-18 17:33:42,385 INFO [main.py:798]
{rank 0/64} MD step = 296200 step time: 00:00:00.351424 Performance: 30.511 ns/day 0.787 hours/ns 1.766 steps/s 2024-05-18 17:33:47,604 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 90.354 -18965 9902.9 -28868 -28868 3.5919 -0.18614 -1.6797 5.9284e+05 2024-05-18 17:34:22,613 INFO [main.py:798]
{rank 0/64} MD step = 296300 step time: 00:00:00.352141 Performance: 30.514 ns/day 0.787 hours/ns 1.766 steps/s 2024-05-18 17:34:28,867 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 91.1 -19063 9984.7 -29047 -29047 3.593 -0.18845 -1.6792 5.9299e+05 2024-05-18 17:35:04,105 INFO [main.py:798]
{rank 0/64} MD step = 296400 step time: 00:00:00.363733 Performance: 30.517 ns/day 0.786 hours/ns 1.766 steps/s 2024-05-18 17:35:11,573 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 90.743 -19259 9945.6 -29205 -29205 3.5935 -0.18936 -1.6812 5.9322e+05 2024-05-18 17:35:46,759 INFO [main.py:798]
{rank 0/64} MD step = 296500 step time: 00:00:00.366722 Performance: 30.520 ns/day 0.786 hours/ns 1.766 steps/s 2024-05-18 17:36:03,589 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 89.582 -19115 9818.3 -28933 -28933 3.5935 -0.19136 -1.6822 5.9343e+05 2024-05-18 17:36:38,346 INFO [main.py:798]
{rank 0/64} MD step = 296600 step time: 00:00:00.342350 Performance: 30.521 ns/day 0.786 hours/ns 1.766 steps/s 2024-05-18 17:36:55,481 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 89.822 -18909 9844.6 -28754 -28754 3.5927 -0.19357 -1.6835 5.9365e+05 2024-05-18 17:37:31,617 INFO [main.py:798]
{rank 0/64} MD step = 296700 step time: 00:00:00.374731 Performance: 30.521 ns/day 0.786 hours/ns 1.766 steps/s 2024-05-18 17:37:38,967 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 90.087 -19143 9873.6 -29017 -29017 3.5925 -0.19555 -1.6843 5.938e+05 2024-05-18 17:38:14,002 INFO [main.py:798]
{rank 0/64} MD step = 296800 step time: 00:00:00.336136 Performance: 30.524 ns/day 0.786 hours/ns 1.766 steps/s 2024-05-18 17:38:20,343 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 90.468 -19067 9915.5 -28982 -28982 3.5919 -0.19817 -1.6846 5.9402e+05 2024-05-18 17:38:55,237 INFO [main.py:798]
{rank 0/64} MD step = 296900 step time: 00:00:00.351814 Performance: 30.527 ns/day 0.786 hours/ns 1.767 steps/s 2024-05-18 17:39:03,486 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 89.506 -19278 9810 -29088 -29088 3.5909 -0.19902 -1.6856 5.9425e+05 2024-05-18 17:39:38,113 INFO [main.py:798]
{rank 0/64} MD step = 297000 step time: 00:00:00.344049 Performance: 30.529 ns/day 0.786 hours/ns 1.767 steps/s 2024-05-18 17:39:42,452 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 88.604 -19276 9711.1 -28987 -28987 3.5872 -0.19979 -1.6876 5.9443e+05 2024-05-18 17:40:18,126 INFO [main.py:798]
{rank 0/64} MD step = 297100 step time: 00:00:00.358324 Performance: 30.532 ns/day 0.786 hours/ns 1.767 steps/s 2024-05-18 17:40:26,485 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 90.662 -19132 9936.6 -29069 -29069 3.5853 -0.1999 -1.6878 5.9464e+05 2024-05-18 17:41:01,181 INFO [main.py:798]
{rank 0/64} MD step = 297200 step time: 00:00:00.344661 Performance: 30.534 ns/day 0.786 hours/ns 1.767 steps/s 2024-05-18 17:41:07,364 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 90.604 -19084 9930.3 -29014 -29014 3.5829 -0.20027 -1.6877 5.9483e+05 2024-05-18 17:41:42,115 INFO [main.py:798]
{rank 0/64} MD step = 297300 step time: 00:00:00.347639 Performance: 30.537 ns/day 0.786 hours/ns 1.767 steps/s 2024-05-18 17:41:47,118 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 91.592 -18971 10039 -29009 -29009 3.5824 -0.20199 -1.6881 5.9504e+05 2024-05-18 17:42:23,898 INFO [main.py:798]
{rank 0/64} MD step = 297400 step time: 00:00:00.375605 Performance: 30.540 ns/day 0.786 hours/ns 1.767 steps/s 2024-05-18 17:42:30,567 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 90.355 -19306 9903 -29209 -29209 3.582 -0.20199 -1.688 5.952e+05 2024-05-18 17:43:05,571 INFO [main.py:798]
{rank 0/64} MD step = 297500 step time: 00:00:00.354875 Performance: 30.543 ns/day 0.786 hours/ns 1.768 steps/s 2024-05-18 17:43:12,099 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 90.651 -18987 9935.4 -28923 -28923 3.5789 -0.20256 -1.6881 5.9542e+05 2024-05-18 17:43:47,032 INFO [main.py:798]
{rank 0/64} MD step = 297600 step time: 00:00:00.365774 Performance: 30.545 ns/day 0.786 hours/ns 1.768 steps/s 2024-05-18 17:43:50,797 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 87.644 -19381 9605.9 -28986 -28986 3.5775 -0.20481 -1.688 5.9558e+05 2024-05-18 17:44:28,474 INFO [main.py:798]
{rank 0/64} MD step = 297700 step time: 00:00:00.380286 Performance: 30.548 ns/day 0.786 hours/ns 1.768 steps/s 2024-05-18 17:44:38,813 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 90.604 -18972 9930.3 -28902 -28902 3.5762 -0.20424 -1.69 5.9579e+05 2024-05-18 17:45:13,723 INFO [main.py:798]
{rank 0/64} MD step = 297800 step time: 00:00:00.344357 Performance: 30.550 ns/day 0.786 hours/ns 1.768 steps/s 2024-05-18 17:45:20,875 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 89.84 -19275 9846.6 -29122 -29122 3.5774 -0.2063 -1.6921 5.9599e+05 2024-05-18 17:45:55,206 INFO [main.py:798]
{rank 0/64} MD step = 297900 step time: 00:00:00.340566 Performance: 30.553 ns/day 0.786 hours/ns 1.768 steps/s 2024-05-18 17:46:01,482 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 90.259 -19038 9892.5 -28930 -28930 3.5776 -0.2074 -1.6924 5.962e+05 2024-05-18 17:46:35,917 INFO [main.py:798]
{rank 0/64} MD step = 298000 step time: 00:00:00.336632 Performance: 30.556 ns/day 0.785 hours/ns 1.768 steps/s 2024-05-18 17:46:41,739 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 90.429 -18845 9911.1 -28756 -28756 3.5781 -0.20879 -1.6946 5.9638e+05 2024-05-18 17:47:16,092 INFO [main.py:798]
{rank 0/64} MD step = 298100 step time: 00:00:00.344749 Performance: 30.559 ns/day 0.785 hours/ns 1.768 steps/s 2024-05-18 17:47:22,672 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 90.669 -18669 9937.5 -28606 -28606 3.5769 -0.21102 -1.6954 5.9655e+05 2024-05-18 17:47:57,519 INFO [main.py:798]
{rank 0/64} MD step = 298200 step time: 00:00:00.353554 Performance: 30.562 ns/day 0.785 hours/ns 1.769 steps/s 2024-05-18 17:48:03,166 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 90.857 -18994 9958.1 -28952 -28952 3.576 -0.21239 -1.6949 5.9674e+05 2024-05-18 17:48:37,840 INFO [main.py:798]
{rank 0/64} MD step = 298300 step time: 00:00:00.339288 Performance: 30.565 ns/day 0.785 hours/ns 1.769 steps/s 2024-05-18 17:48:44,739 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 90.3 -18696 9897 -28593 -28593 3.575 -0.21274 -1.6948 5.9698e+05 2024-05-18 17:49:20,456 INFO [main.py:798]
{rank 0/64} MD step = 298400 step time: 00:00:00.347042 Performance: 30.567 ns/day 0.785 hours/ns 1.769 steps/s 2024-05-18 17:49:27,337 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 89.941 -18791 9857.7 -28649 -28649 3.5744 -0.21262 -1.6944 5.9717e+05 2024-05-18 17:50:02,587 INFO [main.py:798]
{rank 0/64} MD step = 298500 step time: 00:00:00.346621 Performance: 30.570 ns/day 0.785 hours/ns 1.769 steps/s 2024-05-18 17:50:08,144 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 90.821 -18750 9954.1 -28704 -28704 3.573 -0.21388 -1.6945 5.9737e+05 2024-05-18 17:50:42,879 INFO [main.py:798]
{rank 0/64} MD step = 298600 step time: 00:00:00.352354 Performance: 30.573 ns/day 0.785 hours/ns 1.769 steps/s 2024-05-18 17:50:48,801 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 91.11 -18758 9985.8 -28744 -28744 3.5711 -0.21453 -1.6947 5.9756e+05 2024-05-18 17:51:23,335 INFO [main.py:798]
{rank 0/64} MD step = 298700 step time: 00:00:00.353568 Performance: 30.576 ns/day 0.785 hours/ns 1.769 steps/s 2024-05-18 17:51:31,313 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 90.404 -18872 9908.4 -28780 -28780 3.5698 -0.21475 -1.6939 5.9776e+05 2024-05-18 17:52:07,519 INFO [main.py:798]
{rank 0/64} MD step = 298800 step time: 00:00:00.371162 Performance: 30.578 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 17:52:22,331 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 90.688 -18918 9939.5 -28858 -28858 3.5684 -0.2143 -1.6941 5.9797e+05 2024-05-18 17:52:57,686 INFO [main.py:798]
{rank 0/64} MD step = 298900 step time: 00:00:00.376159 Performance: 30.579 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 17:53:05,658 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 91.301 -18615 10007 -28622 -28622 3.5688 -0.21475 -1.6949 5.982e+05 2024-05-18 17:53:40,738 INFO [main.py:798]
{rank 0/64} MD step = 299000 step time: 00:00:00.359198 Performance: 30.581 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 17:53:56,865 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 90.897 -18618 9962.5 -28580 -28580 3.5685 -0.21324 -1.6961 5.9838e+05 2024-05-18 17:54:30,190 INFO [main.py:798]
{rank 0/64} MD step = 299100 step time: 00:00:00.350863 Performance: 30.583 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 17:54:36,315 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 89.907 -18716 9854 -28570 -28570 3.5674 -0.21356 -1.6986 5.9856e+05 2024-05-18 17:55:11,401 INFO [main.py:798]
{rank 0/64} MD step = 299200 step time: 00:00:00.328668 Performance: 30.585 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 17:55:18,154 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 90.724 -18829 9943.5 -28773 -28773 3.5691 -0.21322 -1.6991 5.9877e+05 2024-05-18 17:55:54,332 INFO [main.py:798]
{rank 0/64} MD step = 299300 step time: 00:00:00.331990 Performance: 30.588 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 17:56:01,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299300 59860 88.084 -18929 9654.1 -28584 -28584 3.5685 -0.21315 -1.7008 5.9896e+05 2024-05-18 17:56:38,786 INFO [main.py:798]
{rank 0/64} MD step = 299400 step time: 00:00:00.328699 Performance: 30.590 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 17:56:47,324 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 90.828 -18670 9954.9 -28625 -28625 3.5661 -0.21434 -1.7027 5.9917e+05 2024-05-18 17:57:22,376 INFO [main.py:798]
{rank 0/64} MD step = 299500 step time: 00:00:00.334103 Performance: 30.592 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 17:57:29,593 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 89.273 -18693 9784.4 -28477 -28477 3.5648 -0.21601 -1.7032 5.994e+05 2024-05-18 17:58:04,566 INFO [main.py:798]
{rank 0/64} MD step = 299600 step time: 00:00:00.356744 Performance: 30.595 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 17:58:11,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299600 59920 89.516 -18893 9811.1 -28704 -28704 3.5642 -0.217 -1.7045 5.9954e+05 2024-05-18 17:58:46,146 INFO [main.py:798]
{rank 0/64} MD step = 299700 step time: 00:00:00.343132 Performance: 30.598 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 17:58:52,600 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 89.544 -18756 9814.2 -28570 -28570 3.562 -0.21856 -1.7054 5.9972e+05 2024-05-18 17:59:27,326 INFO [main.py:798]
{rank 0/64} MD step = 299800 step time: 00:00:00.369828 Performance: 30.600 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 17:59:35,365 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 88.633 -18888 9714.3 -28602 -28602 3.562 -0.21824 -1.706 5.9993e+05 2024-05-18 18:00:10,206 INFO [main.py:798]
{rank 0/64} MD step = 299900 step time: 00:00:00.345517 Performance: 30.603 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 18:00:17,416 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 91.243 -18415 10000 -28415 -28415 3.5641 -0.21552 -1.706 6.002e+05 2024-05-18 18:00:52,794 INFO [main.py:798]
{rank 0/64} MD step = 300000 step time: 00:00:00.383054 Performance: 30.605 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 18:00:59,174 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 89.907 -18765 9853.9 -28619 -28619 3.5632 -0.21687 -1.7071 6.0038e+05 2024-05-18 18:01:33,268 INFO [main.py:798]
{rank 0/64} MD step = 300100 step time: 00:00:00.345492 Performance: 30.608 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 18:01:39,886 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 88.711 -18531 9722.8 -28254 -28254 3.562 -0.2156 -1.7059 6.0062e+05 2024-05-18 18:02:14,631 INFO [main.py:798]
{rank 0/64} MD step = 300200 step time: 00:00:00.354461 Performance: 30.611 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 18:02:20,263 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 88.727 -18834 9724.6 -28559 -28559 3.5596 -0.21578 -1.7076 6.0076e+05 2024-05-18 18:02:54,843 INFO [main.py:798]
{rank 0/64} MD step = 300300 step time: 00:00:00.343087 Performance: 30.614 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-18 18:03:00,785 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 90.106 -18712 9875.7 -28587 -28587 3.5594 -0.21649 -1.708 6.0097e+05 2024-05-18 18:03:35,502 INFO [main.py:798]
{rank 0/64} MD step = 300400 step time: 00:00:00.348015 Performance: 30.617 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-18 18:03:40,560 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 89.662 -18746 9827.1 -28573 -28573 3.5615 -0.21607 -1.7103 6.0117e+05 2024-05-18 18:04:15,359 INFO [main.py:798]
{rank 0/64} MD step = 300500 step time: 00:00:00.347682 Performance: 30.620 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-18 18:04:22,390 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 89.276 -18929 9784.8 -28713 -28713 3.5643 -0.21738 -1.7115 6.0138e+05 2024-05-18 18:04:57,925 INFO [main.py:798]
{rank 0/64} MD step = 300600 step time: 00:00:00.349760 Performance: 30.622 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-18 18:05:05,230 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 90.174 -19053 9883.1 -28936 -28936 3.5668 -0.21895 -1.7119 6.0159e+05 2024-05-18 18:05:40,003 INFO [main.py:798]
{rank 0/64} MD step = 300700 step time: 00:00:00.362628 Performance: 30.625 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-18 18:05:47,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300700 60140 88.984 -19067 9752.8 -28820 -28820 3.5681 -0.22163 -1.7119 6.0182e+05 2024-05-18 18:06:22,049 INFO [main.py:798]
{rank 0/64} MD step = 300800 step time: 00:00:00.349522 Performance: 30.627 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-18 18:06:30,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300800 60160 90.639 -18760 9934.2 -28694 -28694 3.5681 -0.22123 -1.7133 6.0208e+05 2024-05-18 18:07:05,279 INFO [main.py:798]
{rank 0/64} MD step = 300900 step time: 00:00:00.382203 Performance: 30.630 ns/day 0.784 hours/ns 1.773 steps/s 2024-05-18 18:07:13,736 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 90.936 -18797 9966.7 -28764 -28764 3.5683 -0.22069 -1.7149 6.0225e+05 2024-05-18 18:07:49,128 INFO [main.py:798]
{rank 0/64} MD step = 301000 step time: 00:00:00.353687 Performance: 30.632 ns/day 0.783 hours/ns 1.773 steps/s 2024-05-18 18:07:56,966 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 90.545 -18590 9923.8 -28514 -28514 3.5683 -0.22138 -1.7183 6.0251e+05 2024-05-18 18:08:31,913 INFO [main.py:798]
{rank 0/64} MD step = 301100 step time: 00:00:00.368627 Performance: 30.635 ns/day 0.783 hours/ns 1.773 steps/s 2024-05-18 18:08:51,848 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 89.568 -18856 9816.8 -28673 -28673 3.5679 -0.22298 -1.7188 6.0264e+05 2024-05-18 18:09:26,893 INFO [main.py:798]
{rank 0/64} MD step = 301200 step time: 00:00:00.356490 Performance: 30.635 ns/day 0.783 hours/ns 1.773 steps/s 2024-05-18 18:09:32,770 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 90.124 -18767 9877.7 -28645 -28645 3.5693 -0.22383 -1.7212 6.0288e+05 2024-05-18 18:10:07,206 INFO [main.py:798]
{rank 0/64} MD step = 301300 step time: 00:00:00.358251 Performance: 30.638 ns/day 0.783 hours/ns 1.773 steps/s 2024-05-18 18:10:15,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301300 60260 89.99 -18811 9863 -28674 -28674 3.569 -0.22588 -1.7204 6.0304e+05 2024-05-18 18:10:50,803 INFO [main.py:798]
{rank 0/64} MD step = 301400 step time: 00:00:00.381090 Performance: 30.640 ns/day 0.783 hours/ns 1.773 steps/s 2024-05-18 18:10:56,589 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 90.832 -18765 9955.3 -28720 -28720 3.5691 -0.22647 -1.7216 6.0321e+05 2024-05-18 18:11:31,236 INFO [main.py:798]
{rank 0/64} MD step = 301500 step time: 00:00:00.344179 Performance: 30.643 ns/day 0.783 hours/ns 1.773 steps/s 2024-05-18 18:11:40,724 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 89.025 -18888 9757.3 -28645 -28645 3.5665 -0.22794 -1.7205 6.0341e+05 2024-05-18 18:12:15,315 INFO [main.py:798]
{rank 0/64} MD step = 301600 step time: 00:00:00.348828 Performance: 30.645 ns/day 0.783 hours/ns 1.773 steps/s 2024-05-18 18:12:20,715 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 91.297 -18582 10006 -28589 -28589 3.5677 -0.22989 -1.7214 6.0365e+05 2024-05-18 18:12:54,775 INFO [main.py:798]
{rank 0/64} MD step = 301700 step time: 00:00:00.343543 Performance: 30.648 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 18:12:59,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301700 60340 89.314 -19074 9788.9 -28863 -28863 3.5672 -0.23232 -1.7212 6.0379e+05 2024-05-18 18:13:35,143 INFO [main.py:798]
{rank 0/64} MD step = 301800 step time: 00:00:00.351656 Performance: 30.651 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 18:13:41,173 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 89.975 -18837 9861.4 -28699 -28699 3.5695 -0.23392 -1.7219 6.0402e+05 2024-05-18 18:14:15,262 INFO [main.py:798]
{rank 0/64} MD step = 301900 step time: 00:00:00.327872 Performance: 30.654 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 18:14:22,167 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 89.856 -19016 9848.3 -28865 -28865 3.5697 -0.23727 -1.7215 6.042e+05 2024-05-18 18:14:56,924 INFO [main.py:798]
{rank 0/64} MD step = 302000 step time: 00:00:00.339450 Performance: 30.657 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 18:15:03,258 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 90.012 -19137 9865.5 -29003 -29003 3.5717 -0.23876 -1.7218 6.0441e+05 2024-05-18 18:15:40,662 INFO [main.py:798]
{rank 0/64} MD step = 302100 step time: 00:00:00.335673 Performance: 30.659 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 18:15:46,361 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 89.657 -19208 9826.5 -29034 -29034 3.5736 -0.23935 -1.7234 6.0459e+05 2024-05-18 18:16:20,890 INFO [main.py:798]
{rank 0/64} MD step = 302200 step time: 00:00:00.328519 Performance: 30.662 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 18:16:27,866 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 89.439 -19165 9802.6 -28968 -28968 3.5757 -0.23918 -1.725 6.0482e+05 2024-05-18 18:17:03,645 INFO [main.py:798]
{rank 0/64} MD step = 302300 step time: 00:00:00.327177 Performance: 30.664 ns/day 0.783 hours/ns 1.775 steps/s 2024-05-18 18:17:27,841 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 90.409 -19069 9908.9 -28978 -28978 3.5764 -0.24028 -1.7248 6.0497e+05 2024-05-18 18:18:02,008 INFO [main.py:798]
{rank 0/64} MD step = 302400 step time: 00:00:00.343475 Performance: 30.664 ns/day 0.783 hours/ns 1.775 steps/s 2024-05-18 18:18:11,056 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 89.535 -19305 9813.2 -29118 -29118 3.5771 -0.24223 -1.7257 6.0515e+05 2024-05-18 18:18:46,257 INFO [main.py:798]
{rank 0/64} MD step = 302500 step time: 00:00:00.376460 Performance: 30.666 ns/day 0.783 hours/ns 1.775 steps/s 2024-05-18 18:18:55,091 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 89.037 -19192 9758.6 -28951 -28951 3.577 -0.24241 -1.7268 6.0535e+05 2024-05-18 18:19:29,894 INFO [main.py:798]
{rank 0/64} MD step = 302600 step time: 00:00:00.352392 Performance: 30.668 ns/day 0.783 hours/ns 1.775 steps/s 2024-05-18 18:19:36,292 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 90.378 -19285 9905.5 -29190 -29190 3.5768 -0.24297 -1.7283 6.055e+05 2024-05-18 18:20:10,653 INFO [main.py:798]
{rank 0/64} MD step = 302700 step time: 00:00:00.352414 Performance: 30.671 ns/day 0.782 hours/ns 1.775 steps/s 2024-05-18 18:20:16,848 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 91.224 -19135 9998.3 -29133 -29133 3.5774 -0.24409 -1.7301 6.057e+05 2024-05-18 18:20:51,389 INFO [main.py:798]
{rank 0/64} MD step = 302800 step time: 00:00:00.356165 Performance: 30.674 ns/day 0.782 hours/ns 1.775 steps/s 2024-05-18 18:20:58,771 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 90.522 -19160 9921.3 -29081 -29081 3.5766 -0.2443 -1.7311 6.0596e+05 2024-05-18 18:21:33,379 INFO [main.py:798]
{rank 0/64} MD step = 302900 step time: 00:00:00.366804 Performance: 30.677 ns/day 0.782 hours/ns 1.775 steps/s 2024-05-18 18:21:40,774 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 89.824 -19246 9844.8 -29091 -29091 3.576 -0.24441 -1.732 6.0611e+05 2024-05-18 18:22:16,011 INFO [main.py:798]
{rank 0/64} MD step = 303000 step time: 00:00:00.338560 Performance: 30.679 ns/day 0.782 hours/ns 1.775 steps/s 2024-05-18 18:22:23,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303000 60600 88.502 -19395 9700 -29095 -29095 3.5728 -0.24378 -1.7331 6.0633e+05 2024-05-18 18:22:57,860 INFO [main.py:798]
{rank 0/64} MD step = 303100 step time: 00:00:00.349073 Performance: 30.682 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 18:23:09,530 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 90.51 -19178 9920 -29098 -29098 3.5717 -0.24439 -1.7331 6.0654e+05 2024-05-18 18:23:45,233 INFO [main.py:798]
{rank 0/64} MD step = 303200 step time: 00:00:00.345554 Performance: 30.683 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 18:23:51,130 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 89.163 -19460 9772.4 -29232 -29232 3.5708 -0.24632 -1.7346 6.0676e+05 2024-05-18 18:24:25,724 INFO [main.py:798]
{rank 0/64} MD step = 303300 step time: 00:00:00.359273 Performance: 30.686 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 18:24:32,775 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 90.358 -19122 9903.3 -29025 -29025 3.5695 -0.24645 -1.7357 6.0696e+05 2024-05-18 18:25:07,095 INFO [main.py:798]
{rank 0/64} MD step = 303400 step time: 00:00:00.334057 Performance: 30.689 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 18:25:15,621 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 89.209 -19197 9777.4 -28974 -28974 3.5694 -0.24428 -1.738 6.0716e+05 2024-05-18 18:25:55,560 INFO [main.py:798]
{rank 0/64} MD step = 303500 step time: 00:00:00.374174 Performance: 30.690 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 18:26:02,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303500 60700 89.441 -19022 9802.9 -28824 -28824 3.5701 -0.24415 -1.7373 6.0738e+05 2024-05-18 18:26:37,337 INFO [main.py:798]
{rank 0/64} MD step = 303600 step time: 00:00:00.357942 Performance: 30.693 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 18:26:43,909 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 90.873 -19311 9959.8 -29270 -29270 3.5705 -0.24343 -1.7377 6.075e+05 2024-05-18 18:27:18,423 INFO [main.py:798]
{rank 0/64} MD step = 303700 step time: 00:00:00.340856 Performance: 30.695 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 18:27:25,612 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 88.037 -19239 9649 -28888 -28888 3.5694 -0.24253 -1.7386 6.0778e+05 2024-05-18 18:28:00,043 INFO [main.py:798]
{rank 0/64} MD step = 303800 step time: 00:00:00.384379 Performance: 30.698 ns/day 0.782 hours/ns 1.777 steps/s 2024-05-18 18:28:06,146 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 89.679 -19054 9828.9 -28883 -28883 3.5674 -0.24123 -1.7381 6.0795e+05 2024-05-18 18:28:40,481 INFO [main.py:798]
{rank 0/64} MD step = 303900 step time: 00:00:00.371077 Performance: 30.701 ns/day 0.782 hours/ns 1.777 steps/s 2024-05-18 18:28:47,108 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 90.178 -19158 9883.6 -29041 -29041 3.5658 -0.24234 -1.7375 6.0813e+05 2024-05-18 18:29:21,575 INFO [main.py:798]
{rank 0/64} MD step = 304000 step time: 00:00:00.345109 Performance: 30.704 ns/day 0.782 hours/ns 1.777 steps/s 2024-05-18 18:29:26,027 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 90.059 -19054 9870.5 -28925 -28925 3.5647 -0.24051 -1.7364 6.0834e+05 2024-05-18 18:30:02,083 INFO [main.py:798]
{rank 0/64} MD step = 304100 step time: 00:00:00.336347 Performance: 30.706 ns/day 0.782 hours/ns 1.777 steps/s 2024-05-18 18:30:08,224 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 89.646 -19230 9825.3 -29055 -29055 3.5638 -0.24078 -1.7363 6.0855e+05 2024-05-18 18:30:42,752 INFO [main.py:798]
{rank 0/64} MD step = 304200 step time: 00:00:00.351633 Performance: 30.709 ns/day 0.782 hours/ns 1.777 steps/s 2024-05-18 18:30:48,387 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 90.86 -19241 9958.4 -29199 -29199 3.5657 -0.23925 -1.7365 6.0871e+05 2024-05-18 18:31:22,853 INFO [main.py:798]
{rank 0/64} MD step = 304300 step time: 00:00:00.344559 Performance: 30.712 ns/day 0.781 hours/ns 1.777 steps/s 2024-05-18 18:31:28,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304300 60860 89.707 -19368 9832 -29200 -29200 3.5655 -0.24003 -1.7381 6.0893e+05 2024-05-18 18:32:03,679 INFO [main.py:798]
{rank 0/64} MD step = 304400 step time: 00:00:00.360673 Performance: 30.715 ns/day 0.781 hours/ns 1.777 steps/s 2024-05-18 18:32:09,627 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 91.807 -18998 10062 -29060 -29060 3.5647 -0.24009 -1.7384 6.0916e+05 2024-05-18 18:32:44,470 INFO [main.py:798]
{rank 0/64} MD step = 304500 step time: 00:00:00.358190 Performance: 30.718 ns/day 0.781 hours/ns 1.778 steps/s 2024-05-18 18:32:49,981 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 89.842 -19349 9846.8 -29196 -29196 3.5671 -0.24079 -1.7378 6.0931e+05 2024-05-18 18:33:25,330 INFO [main.py:798]
{rank 0/64} MD step = 304600 step time: 00:00:00.374356 Performance: 30.720 ns/day 0.781 hours/ns 1.778 steps/s 2024-05-18 18:33:31,219 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 89.187 -19331 9775 -29106 -29106 3.5665 -0.24199 -1.7384 6.0956e+05 2024-05-18 18:34:05,723 INFO [main.py:798]
{rank 0/64} MD step = 304700 step time: 00:00:00.351994 Performance: 30.723 ns/day 0.781 hours/ns 1.778 steps/s 2024-05-18 18:34:12,854 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 89.717 -19132 9833.1 -28965 -28965 3.5667 -0.24348 -1.7394 6.0974e+05 2024-05-18 18:34:47,445 INFO [main.py:798]
{rank 0/64} MD step = 304800 step time: 00:00:00.351393 Performance: 30.726 ns/day 0.781 hours/ns 1.778 steps/s 2024-05-18 18:34:53,622 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 91.133 -18999 9988.3 -28987 -28987 3.5679 -0.24394 -1.7407 6.0997e+05 2024-05-18 18:35:28,898 INFO [main.py:798]
{rank 0/64} MD step = 304900 step time: 00:00:00.348420 Performance: 30.729 ns/day 0.781 hours/ns 1.778 steps/s 2024-05-18 18:35:36,668 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 89.449 -19216 9803.8 -29020 -29020 3.5702 -0.24379 -1.7411 6.1017e+05 2024-05-18 18:36:11,278 INFO [main.py:798]
{rank 0/64} MD step = 305000 step time: 00:00:00.351693 Performance: 30.731 ns/day 0.781 hours/ns 1.778 steps/s 2024-05-18 18:36:16,960 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 91.276 -19069 10004 -29073 -29073 3.5722 -0.2414 -1.7407 6.1033e+05 2024-05-18 18:36:52,088 INFO [main.py:798]
{rank 0/64} MD step = 305100 step time: 00:00:00.356482 Performance: 30.734 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:36:57,609 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 91.442 -18815 10022 -28837 -28837 3.5733 -0.24114 -1.7412 6.1059e+05 2024-05-18 18:37:33,452 INFO [main.py:798]
{rank 0/64} MD step = 305200 step time: 00:00:00.377977 Performance: 30.736 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:37:57,963 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 90.064 -19009 9871.1 -28880 -28880 3.5735 -0.24014 -1.7418 6.1078e+05 2024-05-18 18:38:32,959 INFO [main.py:798]
{rank 0/64} MD step = 305300 step time: 00:00:00.343370 Performance: 30.736 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:38:40,318 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 90.401 -18861 9908 -28770 -28770 3.5724 -0.23788 -1.7417 6.1101e+05 2024-05-18 18:39:16,708 INFO [main.py:798]
{rank 0/64} MD step = 305400 step time: 00:00:00.394693 Performance: 30.738 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:39:28,501 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 90.008 -19109 9865 -28974 -28974 3.5709 -0.23628 -1.7422 6.1115e+05 2024-05-18 18:40:03,483 INFO [main.py:798]
{rank 0/64} MD step = 305500 step time: 00:00:00.358892 Performance: 30.740 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:40:09,929 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 90.251 -19224 9891.6 -29115 -29115 3.5715 -0.23593 -1.7421 6.1137e+05 2024-05-18 18:40:44,373 INFO [main.py:798]
{rank 0/64} MD step = 305600 step time: 00:00:00.340497 Performance: 30.743 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:40:55,221 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 89.712 -19203 9832.5 -29035 -29035 3.569 -0.23498 -1.7411 6.1157e+05 2024-05-18 18:41:30,194 INFO [main.py:798]
{rank 0/64} MD step = 305700 step time: 00:00:00.341182 Performance: 30.744 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:41:39,239 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 90.386 -19101 9906.4 -29007 -29007 3.5689 -0.23255 -1.7434 6.1182e+05 2024-05-18 18:42:14,165 INFO [main.py:798]
{rank 0/64} MD step = 305800 step time: 00:00:00.336340 Performance: 30.747 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:42:20,995 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 89.116 -19054 9767.2 -28821 -28821 3.5684 -0.23127 -1.7462 6.1203e+05 2024-05-18 18:42:55,886 INFO [main.py:798]
{rank 0/64} MD step = 305900 step time: 00:00:00.373366 Performance: 30.749 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 18:43:01,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305900 61180 89.091 -18901 9764.5 -28666 -28666 3.5679 -0.23018 -1.7474 6.1228e+05 2024-05-18 18:43:36,833 INFO [main.py:798]
{rank 0/64} MD step = 306000 step time: 00:00:00.359002 Performance: 30.752 ns/day 0.780 hours/ns 1.780 steps/s 2024-05-18 18:43:43,055 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 89.898 -18850 9852.9 -28703 -28703 3.5679 -0.22938 -1.7466 6.1242e+05 2024-05-18 18:44:17,840 INFO [main.py:798]
{rank 0/64} MD step = 306100 step time: 00:00:00.353359 Performance: 30.755 ns/day 0.780 hours/ns 1.780 steps/s 2024-05-18 18:44:25,377 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 91.828 -18763 10064 -28828 -28828 3.5682 -0.22891 -1.7503 6.1263e+05 2024-05-18 18:45:01,370 INFO [main.py:798]
{rank 0/64} MD step = 306200 step time: 00:00:00.355143 Performance: 30.757 ns/day 0.780 hours/ns 1.780 steps/s 2024-05-18 18:45:06,882 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 89.54 -19123 9813.7 -28937 -28937 3.5692 -0.22845 -1.7494 6.1279e+05 2024-05-18 18:45:41,789 INFO [main.py:798]
{rank 0/64} MD step = 306300 step time: 00:00:00.356084 Performance: 30.760 ns/day 0.780 hours/ns 1.780 steps/s 2024-05-18 18:45:49,717 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 90.154 -18995 9881 -28876 -28876 3.5684 -0.22576 -1.7504 6.1299e+05 2024-05-18 18:46:24,044 INFO [main.py:798]
{rank 0/64} MD step = 306400 step time: 00:00:00.355407 Performance: 30.762 ns/day 0.780 hours/ns 1.780 steps/s 2024-05-18 18:46:30,695 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 89.849 -19099 9847.6 -28947 -28947 3.5681 -0.22409 -1.7523 6.1319e+05 2024-05-18 18:47:04,818 INFO [main.py:798]
{rank 0/64} MD step = 306500 step time: 00:00:00.353086 Performance: 30.765 ns/day 0.780 hours/ns 1.780 steps/s 2024-05-18 18:47:14,338 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 89.927 -19011 9856.2 -28867 -28867 3.5695 -0.22104 -1.7524 6.134e+05 2024-05-18 18:47:49,037 INFO [main.py:798]
{rank 0/64} MD step = 306600 step time: 00:00:00.341873 Performance: 30.767 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 18:47:54,717 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 91.042 -18816 9978.3 -28794 -28794 3.57 -0.21972 -1.7526 6.1361e+05 2024-05-18 18:48:29,570 INFO [main.py:798]
{rank 0/64} MD step = 306700 step time: 00:00:00.351117 Performance: 30.770 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 18:48:38,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306700 61340 89.11 -19193 9766.6 -28959 -28959 3.5691 -0.21917 -1.7533 6.138e+05 2024-05-18 18:49:13,759 INFO [main.py:798]
{rank 0/64} MD step = 306800 step time: 00:00:00.350566 Performance: 30.772 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 18:49:19,855 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 90.36 -18965 9903.5 -28868 -28868 3.5687 -0.21891 -1.7547 6.14e+05 2024-05-18 18:49:54,443 INFO [main.py:798]
{rank 0/64} MD step = 306900 step time: 00:00:00.351969 Performance: 30.775 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 18:50:00,348 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 90.78 -18803 9949.6 -28752 -28752 3.5692 -0.21858 -1.7563 6.1426e+05 2024-05-18 18:50:37,178 INFO [main.py:798]
{rank 0/64} MD step = 307000 step time: 00:00:00.371329 Performance: 30.777 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 18:50:41,758 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 90.074 -18927 9872.2 -28799 -28799 3.5694 -0.22106 -1.7556 6.1446e+05 2024-05-18 18:51:17,116 INFO [main.py:798]
{rank 0/64} MD step = 307100 step time: 00:00:00.342892 Performance: 30.780 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 18:51:25,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307100 61420 89.073 -19072 9762.5 -28835 -28835 3.5696 -0.22232 -1.756 6.1463e+05 2024-05-18 18:52:01,031 INFO [main.py:798]
{rank 0/64} MD step = 307200 step time: 00:00:00.347837 Performance: 30.782 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 18:52:06,061 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 90.264 -18958 9893 -28851 -28851 3.5691 -0.22308 -1.7563 6.1486e+05 2024-05-18 18:52:40,833 INFO [main.py:798]
{rank 0/64} MD step = 307300 step time: 00:00:00.351506 Performance: 30.785 ns/day 0.780 hours/ns 1.782 steps/s 2024-05-18 18:52:46,598 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 89.31 -18980 9788.5 -28768 -28768 3.5666 -0.22084 -1.7581 6.1507e+05 2024-05-18 18:53:20,780 INFO [main.py:798]
{rank 0/64} MD step = 307400 step time: 00:00:00.360786 Performance: 30.788 ns/day 0.780 hours/ns 1.782 steps/s 2024-05-18 18:53:27,829 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 90.108 -18876 9876 -28752 -28752 3.5685 -0.21998 -1.7595 6.1526e+05 2024-05-18 18:54:02,890 INFO [main.py:798]
{rank 0/64} MD step = 307500 step time: 00:00:00.345820 Performance: 30.791 ns/day 0.779 hours/ns 1.782 steps/s 2024-05-18 18:54:10,525 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 89.107 -19191 9766.2 -28957 -28957 3.5666 -0.21796 -1.7607 6.1544e+05 2024-05-18 18:54:45,250 INFO [main.py:798]
{rank 0/64} MD step = 307600 step time: 00:00:00.352404 Performance: 30.793 ns/day 0.779 hours/ns 1.782 steps/s 2024-05-18 18:54:57,888 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 89.013 -19070 9755.9 -28826 -28826 3.5662 -0.21862 -1.7627 6.1568e+05 2024-05-18 18:55:33,063 INFO [main.py:798]
{rank 0/64} MD step = 307700 step time: 00:00:00.357581 Performance: 30.795 ns/day 0.779 hours/ns 1.782 steps/s 2024-05-18 18:55:38,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307700 61540 89.104 -19150 9765.9 -28916 -28916 3.5674 -0.21738 -1.7618 6.1587e+05 2024-05-18 18:56:13,338 INFO [main.py:798]
{rank 0/64} MD step = 307800 step time: 00:00:00.352831 Performance: 30.797 ns/day 0.779 hours/ns 1.782 steps/s 2024-05-18 18:56:20,832 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 89.238 -18932 9780.6 -28712 -28712 3.5673 -0.2163 -1.762 6.1609e+05 2024-05-18 18:56:55,981 INFO [main.py:798]
{rank 0/64} MD step = 307900 step time: 00:00:00.362066 Performance: 30.800 ns/day 0.779 hours/ns 1.782 steps/s 2024-05-18 18:57:05,814 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 90.426 -19078 9910.8 -28989 -28989 3.5653 -0.21426 -1.7627 6.1626e+05 2024-05-18 18:57:40,671 INFO [main.py:798]
{rank 0/64} MD step = 308000 step time: 00:00:00.358575 Performance: 30.802 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 18:57:46,826 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 90.789 -19131 9950.5 -29081 -29081 3.5651 -0.21237 -1.7631 6.1642e+05 2024-05-18 18:58:22,592 INFO [main.py:798]
{rank 0/64} MD step = 308100 step time: 00:00:00.375626 Performance: 30.804 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 18:58:28,988 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 90.465 -18882 9915.1 -28797 -28797 3.5655 -0.21159 -1.7635 6.1664e+05 2024-05-18 18:59:03,380 INFO [main.py:798]
{rank 0/64} MD step = 308200 step time: 00:00:00.341092 Performance: 30.807 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 18:59:09,199 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 90.833 -18805 9955.4 -28760 -28760 3.5637 -0.21211 -1.7638 6.1687e+05 2024-05-18 18:59:43,156 INFO [main.py:798]
{rank 0/64} MD step = 308300 step time: 00:00:00.351998 Performance: 30.810 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 18:59:49,575 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 89.142 -19233 9770.1 -29003 -29003 3.5657 -0.21272 -1.7652 6.1704e+05 2024-05-18 19:00:24,477 INFO [main.py:798]
{rank 0/64} MD step = 308400 step time: 00:00:00.350324 Performance: 30.813 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 19:00:30,923 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 91.998 -18923 10083 -29007 -29007 3.5677 -0.21074 -1.7669 6.1725e+05 2024-05-18 19:01:05,599 INFO [main.py:798]
{rank 0/64} MD step = 308500 step time: 00:00:00.339133 Performance: 30.815 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 19:01:12,446 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 89.802 -19017 9842.4 -28860 -28860 3.569 -0.20694 -1.7676 6.1745e+05 2024-05-18 19:01:47,530 INFO [main.py:798]
{rank 0/64} MD step = 308600 step time: 00:00:00.340289 Performance: 30.818 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 19:01:53,379 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 90.445 -18769 9912.9 -28682 -28682 3.5696 -0.20439 -1.7691 6.1762e+05 2024-05-18 19:02:28,238 INFO [main.py:798]
{rank 0/64} MD step = 308700 step time: 00:00:00.351957 Performance: 30.820 ns/day 0.779 hours/ns 1.784 steps/s 2024-05-18 19:02:34,066 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 90.353 -19010 9902.8 -28913 -28913 3.571 -0.2026 -1.7711 6.1782e+05 2024-05-18 19:03:08,464 INFO [main.py:798]
{rank 0/64} MD step = 308800 step time: 00:00:00.352847 Performance: 30.823 ns/day 0.779 hours/ns 1.784 steps/s 2024-05-18 19:03:15,509 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 90.31 -18912 9898.1 -28810 -28810 3.5727 -0.20169 -1.7749 6.18e+05 2024-05-18 19:03:50,335 INFO [main.py:798]
{rank 0/64} MD step = 308900 step time: 00:00:00.346582 Performance: 30.826 ns/day 0.779 hours/ns 1.784 steps/s 2024-05-18 19:03:59,253 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 90.1 -19138 9875 -29013 -29013 3.5769 -0.20359 -1.7754 6.1821e+05 2024-05-18 19:04:33,588 INFO [main.py:798]
{rank 0/64} MD step = 309000 step time: 00:00:00.369881 Performance: 30.828 ns/day 0.779 hours/ns 1.784 steps/s 2024-05-18 19:04:41,295 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 88.614 -19234 9712.2 -28946 -28946 3.5809 -0.20374 -1.7772 6.184e+05 2024-05-18 19:05:16,241 INFO [main.py:798]
{rank 0/64} MD step = 309100 step time: 00:00:00.376476 Performance: 30.830 ns/day 0.778 hours/ns 1.784 steps/s 2024-05-18 19:05:37,258 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 90.473 -19036 9915.9 -28952 -28952 3.5819 -0.20369 -1.7768 6.1864e+05 2024-05-18 19:06:12,466 INFO [main.py:798]
{rank 0/64} MD step = 309200 step time: 00:00:00.380997 Performance: 30.830 ns/day 0.778 hours/ns 1.784 steps/s 2024-05-18 19:06:19,190 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 91.112 -18937 9986 -28923 -28923 3.585 -0.20407 -1.7776 6.1886e+05 2024-05-18 19:06:53,550 INFO [main.py:798]
{rank 0/64} MD step = 309300 step time: 00:00:00.352844 Performance: 30.833 ns/day 0.778 hours/ns 1.784 steps/s 2024-05-18 19:07:00,165 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 89.256 -19160 9782.6 -28943 -28943 3.5843 -0.20386 -1.7783 6.1908e+05 2024-05-18 19:07:34,933 INFO [main.py:798]
{rank 0/64} MD step = 309400 step time: 00:00:00.346595 Performance: 30.836 ns/day 0.778 hours/ns 1.784 steps/s 2024-05-18 19:07:41,475 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 90.892 -18994 9961.9 -28956 -28956 3.5836 -0.20327 -1.78 6.1928e+05 2024-05-18 19:08:16,197 INFO [main.py:798]
{rank 0/64} MD step = 309500 step time: 00:00:00.348664 Performance: 30.838 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:08:30,833 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 90.413 -19168 9909.4 -29077 -29077 3.5851 -0.20022 -1.7806 6.1953e+05 2024-05-18 19:09:06,751 INFO [main.py:798]
{rank 0/64} MD step = 309600 step time: 00:00:00.365849 Performance: 30.839 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:09:14,253 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 91.934 -18934 10076 -29010 -29010 3.5857 -0.19684 -1.7809 6.1973e+05 2024-05-18 19:09:49,093 INFO [main.py:798]
{rank 0/64} MD step = 309700 step time: 00:00:00.356679 Performance: 30.842 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:10:13,785 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 90.087 -19031 9873.6 -28905 -28905 3.5864 -0.19376 -1.7817 6.1993e+05 2024-05-18 19:10:48,890 INFO [main.py:798]
{rank 0/64} MD step = 309800 step time: 00:00:00.353394 Performance: 30.841 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:11:03,751 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 89.844 -19154 9847 -29001 -29001 3.5868 -0.19075 -1.7822 6.201e+05 2024-05-18 19:11:38,573 INFO [main.py:798]
{rank 0/64} MD step = 309900 step time: 00:00:00.327111 Performance: 30.842 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:11:59,729 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 89.725 -19289 9834 -29123 -29123 3.5869 -0.18896 -1.782 6.2028e+05 2024-05-18 19:12:34,341 INFO [main.py:798]
{rank 0/64} MD step = 310000 step time: 00:00:00.331005 Performance: 30.842 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:12:47,888 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 90.978 -19143 9971.3 -29114 -29114 3.5907 -0.18993 -1.7817 6.2049e+05 2024-05-18 19:13:22,915 INFO [main.py:798]
{rank 0/64} MD step = 310100 step time: 00:00:00.328662 Performance: 30.844 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:13:33,071 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 91.483 -18882 10027 -28909 -28909 3.5941 -0.18873 -1.7825 6.2068e+05 2024-05-18 19:14:08,035 INFO [main.py:798]
{rank 0/64} MD step = 310200 step time: 00:00:00.328281 Performance: 30.846 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:14:19,912 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 89.246 -19232 9781.4 -29014 -29014 3.5969 -0.18835 -1.7828 6.2087e+05 2024-05-18 19:14:53,997 INFO [main.py:798]
{rank 0/64} MD step = 310300 step time: 00:00:00.349841 Performance: 30.847 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:14:59,997 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 90.124 -19207 9877.7 -29085 -29085 3.6017 -0.18969 -1.7843 6.2106e+05 2024-05-18 19:15:34,573 INFO [main.py:798]
{rank 0/64} MD step = 310400 step time: 00:00:00.331633 Performance: 30.850 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:15:43,345 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 89.204 -19116 9776.9 -28893 -28893 3.6063 -0.1886 -1.7845 6.2128e+05 2024-05-18 19:16:18,390 INFO [main.py:798]
{rank 0/64} MD step = 310500 step time: 00:00:00.327760 Performance: 30.852 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 19:16:29,656 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 90.498 -18972 9918.7 -28890 -28890 3.6118 -0.18685 -1.7856 6.2149e+05 2024-05-18 19:17:06,471 INFO [main.py:798]
{rank 0/64} MD step = 310600 step time: 00:00:00.330345 Performance: 30.854 ns/day 0.778 hours/ns 1.786 steps/s 2024-05-18 19:17:13,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310600 62120 90.979 -18938 9971.4 -28909 -28909 3.6151 -0.18404 -1.7871 6.217e+05 2024-05-18 19:17:48,384 INFO [main.py:798]
{rank 0/64} MD step = 310700 step time: 00:00:00.332874 Performance: 30.856 ns/day 0.778 hours/ns 1.786 steps/s 2024-05-18 19:17:55,451 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 90.25 -19221 9891.5 -29113 -29113 3.6183 -0.18222 -1.7883 6.219e+05 2024-05-18 19:18:30,145 INFO [main.py:798]
{rank 0/64} MD step = 310800 step time: 00:00:00.330175 Performance: 30.859 ns/day 0.778 hours/ns 1.786 steps/s 2024-05-18 19:18:35,179 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 90.603 -18880 9930.2 -28810 -28810 3.621 -0.17955 -1.7901 6.2215e+05 2024-05-18 19:19:09,388 INFO [main.py:798]
{rank 0/64} MD step = 310900 step time: 00:00:00.343794 Performance: 30.862 ns/day 0.778 hours/ns 1.786 steps/s 2024-05-18 19:19:15,337 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 91.195 -18808 9995.1 -28803 -28803 3.6224 -0.17543 -1.791 6.2237e+05 2024-05-18 19:19:49,780 INFO [main.py:798]
{rank 0/64} MD step = 311000 step time: 00:00:00.341506 Performance: 30.864 ns/day 0.778 hours/ns 1.786 steps/s 2024-05-18 19:19:56,115 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 91.135 -18927 9988.5 -28915 -28915 3.6239 -0.17241 -1.7923 6.2255e+05 2024-05-18 19:20:32,156 INFO [main.py:798]
{rank 0/64} MD step = 311100 step time: 00:00:00.374581 Performance: 30.867 ns/day 0.778 hours/ns 1.786 steps/s 2024-05-18 19:20:38,573 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 88.896 -19164 9743.1 -28907 -28907 3.6251 -0.17125 -1.7916 6.2274e+05 2024-05-18 19:21:12,880 INFO [main.py:798]
{rank 0/64} MD step = 311200 step time: 00:00:00.351961 Performance: 30.869 ns/day 0.777 hours/ns 1.786 steps/s 2024-05-18 19:21:20,141 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 89.089 -19119 9764.2 -28883 -28883 3.6255 -0.16744 -1.7916 6.2295e+05 2024-05-18 19:21:54,780 INFO [main.py:798]
{rank 0/64} MD step = 311300 step time: 00:00:00.347600 Performance: 30.872 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 19:22:02,771 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 89.593 -19124 9819.5 -28944 -28944 3.6278 -0.16424 -1.7933 6.2315e+05 2024-05-18 19:22:36,843 INFO [main.py:798]
{rank 0/64} MD step = 311400 step time: 00:00:00.357445 Performance: 30.874 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 19:22:43,728 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 90.044 -19089 9868.9 -28958 -28958 3.632 -0.16176 -1.7943 6.2335e+05 2024-05-18 19:23:17,962 INFO [main.py:798]
{rank 0/64} MD step = 311500 step time: 00:00:00.355817 Performance: 30.877 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 19:23:25,153 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 90.712 -18998 9942.1 -28940 -28940 3.6347 -0.15846 -1.7975 6.2353e+05 2024-05-18 19:24:00,624 INFO [main.py:798]
{rank 0/64} MD step = 311600 step time: 00:00:00.372141 Performance: 30.879 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 19:24:08,433 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 90.549 -18892 9924.3 -28816 -28816 3.637 -0.15547 -1.799 6.2379e+05 2024-05-18 19:24:43,085 INFO [main.py:798]
{rank 0/64} MD step = 311700 step time: 00:00:00.365563 Performance: 30.882 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 19:24:49,994 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 89.726 -18955 9834.1 -28789 -28789 3.6385 -0.15277 -1.7991 6.2395e+05 2024-05-18 19:25:24,826 INFO [main.py:798]
{rank 0/64} MD step = 311800 step time: 00:00:00.355192 Performance: 30.884 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 19:25:35,129 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 89.838 -19064 9846.3 -28910 -28910 3.6383 -0.1509 -1.8 6.2414e+05 2024-05-18 19:26:10,844 INFO [main.py:798]
{rank 0/64} MD step = 311900 step time: 00:00:00.345604 Performance: 30.886 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 19:26:18,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311900 62380 89.072 -19285 9762.4 -29047 -29047 3.6387 -0.14744 -1.8011 6.2431e+05 2024-05-18 19:26:53,365 INFO [main.py:798]
{rank 0/64} MD step = 312000 step time: 00:00:00.364302 Performance: 30.888 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 19:27:01,825 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 90.707 -19045 9941.6 -28986 -28986 3.64 -0.14519 -1.8027 6.245e+05 2024-05-18 19:27:36,425 INFO [main.py:798]
{rank 0/64} MD step = 312100 step time: 00:00:00.351449 Performance: 30.891 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 19:27:43,880 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 90.627 -18927 9932.8 -28860 -28860 3.6403 -0.14008 -1.8021 6.2471e+05 2024-05-18 19:28:18,373 INFO [main.py:798]
{rank 0/64} MD step = 312200 step time: 00:00:00.353063 Performance: 30.893 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 19:28:25,924 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 91.305 -18709 10007 -28716 -28716 3.6409 -0.13833 -1.8022 6.2491e+05 2024-05-18 19:29:00,426 INFO [main.py:798]
{rank 0/64} MD step = 312300 step time: 00:00:00.344209 Performance: 30.896 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 19:29:07,501 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 91.396 -18893 10017 -28910 -28910 3.6421 -0.13446 -1.8039 6.2513e+05 2024-05-18 19:29:42,405 INFO [main.py:798]
{rank 0/64} MD step = 312400 step time: 00:00:00.346207 Performance: 30.898 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 19:29:51,038 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 90.354 -19204 9902.9 -29107 -29107 3.6443 -0.13086 -1.8033 6.253e+05 2024-05-18 19:30:27,108 INFO [main.py:798]
{rank 0/64} MD step = 312500 step time: 00:00:00.340741 Performance: 30.900 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 19:30:34,529 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 90.099 -19208 9875 -29083 -29083 3.6478 -0.12904 -1.804 6.2552e+05 2024-05-18 19:31:09,505 INFO [main.py:798]
{rank 0/64} MD step = 312600 step time: 00:00:00.328101 Performance: 30.903 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 19:31:15,438 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 89.325 -19202 9790.2 -28992 -28992 3.6512 -0.12355 -1.804 6.2573e+05 2024-05-18 19:31:50,383 INFO [main.py:798]
{rank 0/64} MD step = 312700 step time: 00:00:00.342332 Performance: 30.905 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 19:31:55,990 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 90.213 -19306 9887.5 -29193 -29193 3.6527 -0.11991 -1.8057 6.2592e+05 2024-05-18 19:32:30,893 INFO [main.py:798]
{rank 0/64} MD step = 312800 step time: 00:00:00.353643 Performance: 30.908 ns/day 0.777 hours/ns 1.789 steps/s 2024-05-18 19:32:37,107 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 88.972 -19481 9751.5 -29233 -29233 3.6533 -0.11533 -1.8073 6.2612e+05 2024-05-18 19:33:11,855 INFO [main.py:798]
{rank 0/64} MD step = 312900 step time: 00:00:00.345476 Performance: 30.911 ns/day 0.776 hours/ns 1.789 steps/s 2024-05-18 19:33:18,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312900 62580 89.958 -19114 9859.5 -28973 -28973 3.6537 -0.11105 -1.8083 6.2633e+05 2024-05-18 19:33:52,933 INFO [main.py:798]
{rank 0/64} MD step = 313000 step time: 00:00:00.337836 Performance: 30.913 ns/day 0.776 hours/ns 1.789 steps/s 2024-05-18 19:33:59,405 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 90.155 -18821 9881.1 -28702 -28702 3.654 -0.10806 -1.8084 6.2657e+05 2024-05-18 19:34:34,144 INFO [main.py:798]
{rank 0/64} MD step = 313100 step time: 00:00:00.352420 Performance: 30.916 ns/day 0.776 hours/ns 1.789 steps/s 2024-05-18 19:34:38,778 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 88.76 -19086 9728.2 -28814 -28814 3.654 -0.10577 -1.8086 6.2674e+05 2024-05-18 19:35:14,701 INFO [main.py:798]
{rank 0/64} MD step = 313200 step time: 00:00:00.344566 Performance: 30.918 ns/day 0.776 hours/ns 1.789 steps/s 2024-05-18 19:35:23,128 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 89.159 -18920 9771.9 -28692 -28692 3.6524 -0.10285 -1.8087 6.2695e+05 2024-05-18 19:35:58,405 INFO [main.py:798]
{rank 0/64} MD step = 313300 step time: 00:00:00.354723 Performance: 30.921 ns/day 0.776 hours/ns 1.789 steps/s 2024-05-18 19:36:03,988 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 90.367 -18827 9904.4 -28732 -28732 3.6535 -0.10035 -1.808 6.2711e+05 2024-05-18 19:36:38,197 INFO [main.py:798]
{rank 0/64} MD step = 313400 step time: 00:00:00.338362 Performance: 30.923 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:36:44,340 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 89.697 -18905 9830.9 -28736 -28736 3.6523 -0.097777 -1.8073 6.2733e+05 2024-05-18 19:37:19,129 INFO [main.py:798]
{rank 0/64} MD step = 313500 step time: 00:00:00.354794 Performance: 30.926 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:37:28,279 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 90.744 -18763 9945.7 -28709 -28709 3.6531 -0.095205 -1.8068 6.2754e+05 2024-05-18 19:38:03,638 INFO [main.py:798]
{rank 0/64} MD step = 313600 step time: 00:00:00.381339 Performance: 30.928 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:38:13,145 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 90.161 -18996 9881.8 -28878 -28878 3.6545 -0.093062 -1.8064 6.2775e+05 2024-05-18 19:38:49,280 INFO [main.py:798]
{rank 0/64} MD step = 313700 step time: 00:00:00.344649 Performance: 30.930 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:39:08,995 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 89.788 -18981 9840.8 -28822 -28822 3.6547 -0.088538 -1.8075 6.279e+05 2024-05-18 19:39:43,891 INFO [main.py:798]
{rank 0/64} MD step = 313800 step time: 00:00:00.329697 Performance: 30.930 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:39:49,469 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 91.305 -18993 10007 -29000 -29000 3.6566 -0.084024 -1.8077 6.2807e+05 2024-05-18 19:40:26,394 INFO [main.py:798]
{rank 0/64} MD step = 313900 step time: 00:00:00.331416 Performance: 30.932 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:40:51,626 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 88.926 -19030 9746.4 -28776 -28776 3.6572 -0.082786 -1.8108 6.2834e+05 2024-05-18 19:41:26,649 INFO [main.py:798]
{rank 0/64} MD step = 314000 step time: 00:00:00.355357 Performance: 30.932 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:41:35,722 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 89.605 -19307 9820.8 -29128 -29128 3.66 -0.080909 -1.8123 6.2853e+05 2024-05-18 19:42:11,104 INFO [main.py:798]
{rank 0/64} MD step = 314100 step time: 00:00:00.337616 Performance: 30.934 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:42:14,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314100 62820 89.331 -19281 9790.7 -29071 -29071 3.6618 -0.077776 -1.8139 6.2875e+05 2024-05-18 19:42:51,857 INFO [main.py:798]
{rank 0/64} MD step = 314200 step time: 00:00:00.351913 Performance: 30.936 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:43:01,737 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 90.686 -18955 9939.3 -28894 -28894 3.6641 -0.073433 -1.8143 6.2897e+05 2024-05-18 19:43:36,441 INFO [main.py:798]
{rank 0/64} MD step = 314300 step time: 00:00:00.372605 Performance: 30.938 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 19:43:45,005 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 89.254 -19178 9782.3 -28961 -28961 3.6656 -0.069166 -1.8147 6.2919e+05 2024-05-18 19:44:19,316 INFO [main.py:798]
{rank 0/64} MD step = 314400 step time: 00:00:00.342985 Performance: 30.941 ns/day 0.776 hours/ns 1.791 steps/s 2024-05-18 19:44:25,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314400 62880 89.161 -19100 9772.2 -28872 -28872 3.6679 -0.065661 -1.8162 6.2933e+05 2024-05-18 19:45:00,362 INFO [main.py:798]
{rank 0/64} MD step = 314500 step time: 00:00:00.359955 Performance: 30.943 ns/day 0.776 hours/ns 1.791 steps/s 2024-05-18 19:45:07,341 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 90.398 -18852 9907.7 -28760 -28760 3.6677 -0.061794 -1.8168 6.2955e+05 2024-05-18 19:45:41,832 INFO [main.py:798]
{rank 0/64} MD step = 314600 step time: 00:00:00.354106 Performance: 30.946 ns/day 0.776 hours/ns 1.791 steps/s 2024-05-18 19:45:48,274 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 90.034 -19066 9867.8 -28934 -28934 3.6688 -0.05888 -1.8173 6.297e+05 2024-05-18 19:46:22,488 INFO [main.py:798]
{rank 0/64} MD step = 314700 step time: 00:00:00.343926 Performance: 30.948 ns/day 0.775 hours/ns 1.791 steps/s 2024-05-18 19:46:28,472 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 89.645 -19188 9825.3 -29013 -29013 3.6709 -0.053965 -1.8197 6.299e+05 2024-05-18 19:47:04,321 INFO [main.py:798]
{rank 0/64} MD step = 314800 step time: 00:00:00.353408 Performance: 30.951 ns/day 0.775 hours/ns 1.791 steps/s 2024-05-18 19:47:12,982 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 89.424 -19071 9801 -28872 -28872 3.6714 -0.051565 -1.8195 6.3014e+05 2024-05-18 19:47:48,066 INFO [main.py:798]
{rank 0/64} MD step = 314900 step time: 00:00:00.349852 Performance: 30.953 ns/day 0.775 hours/ns 1.791 steps/s 2024-05-18 19:47:54,887 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 89.767 -19088 9838.6 -28927 -28927 3.6714 -0.047165 -1.8207 6.3035e+05 2024-05-18 19:48:29,809 INFO [main.py:798]
{rank 0/64} MD step = 315000 step time: 00:00:00.347394 Performance: 30.956 ns/day 0.775 hours/ns 1.791 steps/s 2024-05-18 19:48:42,722 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 90.043 -19118 9868.8 -28986 -28986 3.6713 -0.04305 -1.8197 6.3051e+05 2024-05-18 19:49:17,385 INFO [main.py:798]
{rank 0/64} MD step = 315100 step time: 00:00:00.353024 Performance: 30.957 ns/day 0.775 hours/ns 1.791 steps/s 2024-05-18 19:49:23,962 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 89.583 -19112 9818.4 -28930 -28930 3.6735 -0.04084 -1.8215 6.3073e+05 2024-05-18 19:49:58,971 INFO [main.py:798]
{rank 0/64} MD step = 315200 step time: 00:00:00.349301 Performance: 30.960 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 19:50:06,002 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 90.49 -19005 9917.8 -28923 -28923 3.6739 -0.038478 -1.823 6.3088e+05 2024-05-18 19:50:40,240 INFO [main.py:798]
{rank 0/64} MD step = 315300 step time: 00:00:00.357342 Performance: 30.962 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 19:50:47,741 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 89.266 -18892 9783.7 -28676 -28676 3.676 -0.036088 -1.8241 6.3115e+05 2024-05-18 19:51:22,087 INFO [main.py:798]
{rank 0/64} MD step = 315400 step time: 00:00:00.353692 Performance: 30.965 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 19:51:28,594 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 88.28 -19139 9675.6 -28815 -28815 3.6777 -0.03163 -1.8243 6.313e+05 2024-05-18 19:52:03,074 INFO [main.py:798]
{rank 0/64} MD step = 315500 step time: 00:00:00.353635 Performance: 30.967 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 19:52:10,571 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 89.791 -18922 9841.2 -28763 -28763 3.6781 -0.028325 -1.8259 6.3149e+05 2024-05-18 19:52:45,365 INFO [main.py:798]
{rank 0/64} MD step = 315600 step time: 00:00:00.359595 Performance: 30.970 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 19:52:51,202 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 88.489 -19109 9698.5 -28808 -28808 3.6766 -0.02463 -1.8276 6.3173e+05 2024-05-18 19:53:27,016 INFO [main.py:798]
{rank 0/64} MD step = 315700 step time: 00:00:00.364571 Performance: 30.972 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 19:53:42,518 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 90.145 -19141 9880.1 -29021 -29021 3.6759 -0.020725 -1.8286 6.3191e+05 2024-05-18 19:54:16,909 INFO [main.py:798]
{rank 0/64} MD step = 315800 step time: 00:00:00.359916 Performance: 30.973 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 19:54:23,552 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 90.528 -19004 9922 -28926 -28926 3.6762 -0.016744 -1.8269 6.321e+05 2024-05-18 19:54:58,038 INFO [main.py:798]
{rank 0/64} MD step = 315900 step time: 00:00:00.350471 Performance: 30.976 ns/day 0.775 hours/ns 1.793 steps/s 2024-05-18 19:55:07,053 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 90.138 -19095 9879.2 -28974 -28974 3.6753 -0.013715 -1.8272 6.3232e+05 2024-05-18 19:55:41,694 INFO [main.py:798]
{rank 0/64} MD step = 316000 step time: 00:00:00.351947 Performance: 30.978 ns/day 0.775 hours/ns 1.793 steps/s 2024-05-18 19:55:49,277 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 91.687 -19057 10049 -29106 -29106 3.6762 -0.0096767 -1.828 6.3249e+05 2024-05-18 19:56:23,397 INFO [main.py:798]
{rank 0/64} MD step = 316100 step time: 00:00:00.349452 Performance: 30.980 ns/day 0.775 hours/ns 1.793 steps/s 2024-05-18 19:56:30,308 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 89.379 -19264 9796 -29060 -29060 3.6751 -0.0069337 -1.8303 6.3269e+05 2024-05-18 19:57:04,672 INFO [main.py:798]
{rank 0/64} MD step = 316200 step time: 00:00:00.351316 Performance: 30.983 ns/day 0.775 hours/ns 1.793 steps/s 2024-05-18 19:57:10,877 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 90.425 -19163 9910.7 -29073 -29073 3.6748 -0.002724 -1.831 6.3289e+05 2024-05-18 19:57:45,367 INFO [main.py:798]
{rank 0/64} MD step = 316300 step time: 00:00:00.337062 Performance: 30.985 ns/day 0.775 hours/ns 1.793 steps/s 2024-05-18 19:57:54,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316300 63260 90.688 -19185 9939.5 -29124 -29124 3.6747 0.0014858 -1.8312 6.3309e+05 2024-05-18 19:58:28,786 INFO [main.py:798]
{rank 0/64} MD step = 316400 step time: 00:00:00.333927 Performance: 30.988 ns/day 0.775 hours/ns 1.793 steps/s 2024-05-18 19:58:37,354 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 88.937 -19317 9747.6 -29065 -29065 3.6738 0.0044193 -1.8315 6.333e+05 2024-05-18 19:59:11,828 INFO [main.py:798]
{rank 0/64} MD step = 316500 step time: 00:00:00.340004 Performance: 30.990 ns/day 0.774 hours/ns 1.793 steps/s 2024-05-18 19:59:21,671 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 90.807 -18962 9952.6 -28915 -28915 3.6724 0.0077528 -1.8319 6.335e+05 2024-05-18 19:59:58,554 INFO [main.py:798]
{rank 0/64} MD step = 316600 step time: 00:00:00.379637 Performance: 30.991 ns/day 0.774 hours/ns 1.793 steps/s 2024-05-18 20:00:06,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316600 63320 90.999 -18954 9973.6 -28928 -28928 3.6744 0.0099434 -1.8316 6.337e+05 2024-05-18 20:00:41,104 INFO [main.py:798]
{rank 0/64} MD step = 316700 step time: 00:00:00.354908 Performance: 30.994 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 20:00:47,249 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 90.513 -19127 9920.4 -29047 -29047 3.6761 0.012534 -1.832 6.339e+05 2024-05-18 20:01:21,980 INFO [main.py:798]
{rank 0/64} MD step = 316800 step time: 00:00:00.346244 Performance: 30.996 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 20:01:28,136 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 90.77 -19207 9948.5 -29156 -29156 3.6765 0.015468 -1.8337 6.3409e+05 2024-05-18 20:02:02,835 INFO [main.py:798]
{rank 0/64} MD step = 316900 step time: 00:00:00.345178 Performance: 30.999 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 20:02:14,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316900 63380 90.687 -18952 9939.4 -28891 -28891 3.6782 0.017677 -1.8338 6.3431e+05 2024-05-18 20:02:49,381 INFO [main.py:798]
{rank 0/64} MD step = 317000 step time: 00:00:00.352918 Performance: 31.001 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 20:02:56,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317000 63400 89.484 -19202 9807.6 -29009 -29009 3.6813 0.020877 -1.8346 6.345e+05 2024-05-18 20:03:31,447 INFO [main.py:798]
{rank 0/64} MD step = 317100 step time: 00:00:00.352863 Performance: 31.003 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 20:03:38,017 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 89.423 -19100 9800.9 -28901 -28901 3.6836 0.02524 -1.8381 6.3474e+05 2024-05-18 20:04:12,752 INFO [main.py:798]
{rank 0/64} MD step = 317200 step time: 00:00:00.340329 Performance: 31.005 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 20:04:19,733 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 90.147 -19291 9880.3 -29172 -29172 3.6861 0.028649 -1.8381 6.3487e+05 2024-05-18 20:04:55,309 INFO [main.py:798]
{rank 0/64} MD step = 317300 step time: 00:00:00.371784 Performance: 31.008 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 20:05:01,349 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 89.485 -19343 9807.6 -29150 -29150 3.6873 0.032859 -1.8396 6.3506e+05 2024-05-18 20:05:35,884 INFO [main.py:798]
{rank 0/64} MD step = 317400 step time: 00:00:00.347273 Performance: 31.010 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 20:05:41,753 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 92.175 -18935 10103 -29038 -29038 3.6872 0.036497 -1.8396 6.3527e+05 2024-05-18 20:06:15,989 INFO [main.py:798]
{rank 0/64} MD step = 317500 step time: 00:00:00.335837 Performance: 31.013 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 20:06:22,109 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 89.502 -19122 9809.5 -28932 -28932 3.6897 0.040421 -1.8388 6.3549e+05 2024-05-18 20:06:57,013 INFO [main.py:798]
{rank 0/64} MD step = 317600 step time: 00:00:00.344686 Performance: 31.016 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 20:07:01,847 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 90.674 -19074 9938 -29012 -29012 3.6886 0.043812 -1.8405 6.3567e+05 2024-05-18 20:07:37,523 INFO [main.py:798]
{rank 0/64} MD step = 317700 step time: 00:00:00.345843 Performance: 31.018 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 20:07:43,787 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 91.363 -18898 10013 -28912 -28912 3.6899 0.048272 -1.8411 6.3587e+05 2024-05-18 20:08:18,584 INFO [main.py:798]
{rank 0/64} MD step = 317800 step time: 00:00:00.347574 Performance: 31.021 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 20:08:24,732 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 89.354 -19152 9793.3 -28945 -28945 3.6892 0.053603 -1.8402 6.3602e+05 2024-05-18 20:08:59,408 INFO [main.py:798]
{rank 0/64} MD step = 317900 step time: 00:00:00.345932 Performance: 31.024 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 20:09:07,287 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 89.38 -19329 9796.1 -29125 -29125 3.6907 0.05606 -1.8397 6.3621e+05 2024-05-18 20:09:43,410 INFO [main.py:798]
{rank 0/64} MD step = 318000 step time: 00:00:00.379824 Performance: 31.026 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 20:09:49,617 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 89.952 -19082 9858.8 -28941 -28941 3.6922 0.060013 -1.838 6.3643e+05 2024-05-18 20:10:24,226 INFO [main.py:798]
{rank 0/64} MD step = 318100 step time: 00:00:00.347133 Performance: 31.028 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 20:10:31,016 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 91.051 -19037 9979.3 -29017 -29017 3.6925 0.064766 -1.8388 6.3661e+05 2024-05-18 20:11:05,312 INFO [main.py:798]
{rank 0/64} MD step = 318200 step time: 00:00:00.342041 Performance: 31.031 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 20:11:12,880 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 90.097 -19024 9874.8 -28899 -28899 3.6912 0.071623 -1.8405 6.3681e+05 2024-05-18 20:11:46,840 INFO [main.py:798]
{rank 0/64} MD step = 318300 step time: 00:00:00.364904 Performance: 31.033 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 20:11:55,254 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 89.713 -19335 9832.6 -29168 -29168 3.6911 0.076061 -1.8397 6.3704e+05 2024-05-18 20:12:29,632 INFO [main.py:798]
{rank 0/64} MD step = 318400 step time: 00:00:00.352671 Performance: 31.036 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 20:12:36,537 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 90.21 -19152 9887.1 -29039 -29039 3.6911 0.078823 -1.8384 6.3721e+05 2024-05-18 20:13:11,133 INFO [main.py:798]
{rank 0/64} MD step = 318500 step time: 00:00:00.357159 Performance: 31.038 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 20:13:20,725 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 89.721 -19332 9833.5 -29166 -29166 3.6905 0.081376 -1.8398 6.3741e+05 2024-05-18 20:13:55,463 INFO [main.py:798]
{rank 0/64} MD step = 318600 step time: 00:00:00.340366 Performance: 31.040 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 20:14:16,439 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 91.199 -18874 9995.6 -28869 -28869 3.6907 0.082586 -1.8402 6.376e+05 2024-05-18 20:14:51,018 INFO [main.py:798]
{rank 0/64} MD step = 318700 step time: 00:00:00.366688 Performance: 31.040 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 20:15:00,311 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 89.686 -19186 9829.7 -29016 -29016 3.6908 0.086824 -1.8411 6.3781e+05 2024-05-18 20:15:35,021 INFO [main.py:798]
{rank 0/64} MD step = 318800 step time: 00:00:00.367547 Performance: 31.042 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 20:15:41,052 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 90.673 -19372 9937.9 -29309 -29309 3.692 0.090691 -1.8399 6.3793e+05 2024-05-18 20:16:15,223 INFO [main.py:798]
{rank 0/64} MD step = 318900 step time: 00:00:00.352284 Performance: 31.045 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 20:16:20,710 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 88.275 -19283 9675 -28958 -28958 3.6899 0.094548 -1.8386 6.3819e+05 2024-05-18 20:16:54,830 INFO [main.py:798]
{rank 0/64} MD step = 319000 step time: 00:00:00.351105 Performance: 31.048 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 20:17:09,278 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 89.553 -18983 9815.2 -28799 -28799 3.6903 0.10159 -1.8377 6.3843e+05 2024-05-18 20:17:44,011 INFO [main.py:798]
{rank 0/64} MD step = 319100 step time: 00:00:00.382826 Performance: 31.049 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 20:17:59,976 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 90.044 -19188 9868.9 -29057 -29057 3.6888 0.1065 -1.8356 6.3863e+05 2024-05-18 20:18:34,205 INFO [main.py:798]
{rank 0/64} MD step = 319200 step time: 00:00:00.350809 Performance: 31.050 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 20:18:40,243 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 89.408 -19301 9799.2 -29101 -29101 3.6873 0.11145 -1.836 6.388e+05 2024-05-18 20:19:15,056 INFO [main.py:798]
{rank 0/64} MD step = 319300 step time: 00:00:00.346830 Performance: 31.052 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 20:19:20,825 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 88.181 -19444 9664.7 -29109 -29109 3.688 0.11561 -1.8329 6.39e+05 2024-05-18 20:19:56,658 INFO [main.py:798]
{rank 0/64} MD step = 319400 step time: 00:00:00.381456 Performance: 31.055 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 20:20:03,422 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 90.217 -19145 9887.9 -29033 -29033 3.6864 0.121 -1.8321 6.3926e+05 2024-05-18 20:20:37,926 INFO [main.py:798]
{rank 0/64} MD step = 319500 step time: 00:00:00.344890 Performance: 31.057 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 20:20:48,269 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 90.898 -19175 9962.6 -29137 -29137 3.6854 0.1266 -1.8305 6.3941e+05 2024-05-18 20:21:22,745 INFO [main.py:798]
{rank 0/64} MD step = 319600 step time: 00:00:00.342158 Performance: 31.059 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 20:21:28,786 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 89.908 -19163 9854.1 -29017 -29017 3.6867 0.13105 -1.8307 6.3961e+05 2024-05-18 20:22:03,398 INFO [main.py:798]
{rank 0/64} MD step = 319700 step time: 00:00:00.364095 Performance: 31.062 ns/day 0.773 hours/ns 1.798 steps/s 2024-05-18 20:22:09,787 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 88.562 -19280 9706.5 -28986 -28986 3.6856 0.13382 -1.8304 6.3982e+05 2024-05-18 20:22:44,120 INFO [main.py:798]
{rank 0/64} MD step = 319800 step time: 00:00:00.352915 Performance: 31.064 ns/day 0.773 hours/ns 1.798 steps/s 2024-05-18 20:22:50,740 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 90.473 -19082 9915.9 -28998 -28998 3.6853 0.13711 -1.829 6.3999e+05 2024-05-18 20:23:25,352 INFO [main.py:798]
{rank 0/64} MD step = 319900 step time: 00:00:00.342651 Performance: 31.067 ns/day 0.773 hours/ns 1.798 steps/s 2024-05-18 20:23:32,308 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 89.608 -19163 9821.1 -28984 -28984 3.6858 0.14133 -1.8287 6.4023e+05 2024-05-18 20:24:07,118 INFO [main.py:798]
{rank 0/64} MD step = 320000 step time: 00:00:00.336321 Performance: 31.069 ns/day 0.772 hours/ns 1.798 steps/s 2024-05-18 20:24:16,056 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 89.911 -19041 9854.4 -28895 -28895 3.6861 0.14662 -1.8279 6.4042e+05 2024-05-18 20:24:50,742 INFO [main.py:798]
{rank 0/64} MD step = 320100 step time: 00:00:00.356109 Performance: 31.071 ns/day 0.772 hours/ns 1.798 steps/s 2024-05-18 20:24:58,735 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 90.783 -19024 9949.9 -28974 -28974 3.6864 0.14993 -1.8266 6.4064e+05 2024-05-18 20:25:35,393 INFO [main.py:798]
{rank 0/64} MD step = 320200 step time: 00:00:00.381690 Performance: 31.073 ns/day 0.772 hours/ns 1.798 steps/s 2024-05-18 20:25:40,751 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 90.246 -19157 9891 -29048 -29048 3.6867 0.1533 -1.8285 6.4084e+05 2024-05-18 20:26:15,094 INFO [main.py:798]
{rank 0/64} MD step = 320300 step time: 00:00:00.351884 Performance: 31.076 ns/day 0.772 hours/ns 1.798 steps/s 2024-05-18 20:26:42,117 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 90.874 -19071 9959.9 -29030 -29030 3.6874 0.1546 -1.8296 6.4102e+05 2024-05-18 20:27:18,093 INFO [main.py:798]
{rank 0/64} MD step = 320400 step time: 00:00:00.354106 Performance: 31.075 ns/day 0.772 hours/ns 1.798 steps/s 2024-05-18 20:27:33,833 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 90.105 -19467 9875.6 -29342 -29342 3.69 0.1594 -1.8277 6.4119e+05 2024-05-18 20:28:08,676 INFO [main.py:798]
{rank 0/64} MD step = 320500 step time: 00:00:00.351632 Performance: 31.076 ns/day 0.772 hours/ns 1.798 steps/s 2024-05-18 20:28:15,374 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 90.106 -19280 9875.8 -29155 -29155 3.6932 0.16508 -1.8272 6.4139e+05 2024-05-18 20:28:49,883 INFO [main.py:798]
{rank 0/64} MD step = 320600 step time: 00:00:00.342246 Performance: 31.078 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 20:28:59,853 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 90.731 -19184 9944.3 -29129 -29129 3.6966 0.1675 -1.828 6.4161e+05 2024-05-18 20:29:34,426 INFO [main.py:798]
{rank 0/64} MD step = 320700 step time: 00:00:00.353988 Performance: 31.080 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 20:29:41,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320700 64140 89.998 -19256 9863.9 -29120 -29120 3.6988 0.17003 -1.8268 6.418e+05 2024-05-18 20:30:16,484 INFO [main.py:798]
{rank 0/64} MD step = 320800 step time: 00:00:00.351740 Performance: 31.082 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 20:30:22,379 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 89.205 -19457 9777 -29234 -29234 3.7034 0.17411 -1.8275 6.4197e+05 2024-05-18 20:30:56,900 INFO [main.py:798]
{rank 0/64} MD step = 320900 step time: 00:00:00.356895 Performance: 31.085 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 20:31:03,209 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 89.412 -19202 9799.7 -29001 -29001 3.706 0.1786 -1.8267 6.4218e+05 2024-05-18 20:31:37,717 INFO [main.py:798]
{rank 0/64} MD step = 321000 step time: 00:00:00.340429 Performance: 31.088 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 20:31:43,969 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 89.401 -19337 9798.5 -29135 -29135 3.708 0.18258 -1.8283 6.4233e+05 2024-05-18 20:32:18,453 INFO [main.py:798]
{rank 0/64} MD step = 321100 step time: 00:00:00.350276 Performance: 31.090 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 20:32:24,540 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 89.8 -18993 9842.2 -28836 -28836 3.7135 0.18704 -1.8297 6.4254e+05 2024-05-18 20:32:59,312 INFO [main.py:798]
{rank 0/64} MD step = 321200 step time: 00:00:00.350326 Performance: 31.093 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 20:33:05,601 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 90.35 -19173 9902.5 -29075 -29075 3.717 0.1914 -1.832 6.427e+05 2024-05-18 20:33:40,553 INFO [main.py:798]
{rank 0/64} MD step = 321300 step time: 00:00:00.347316 Performance: 31.095 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 20:33:46,604 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 89.961 -19247 9859.9 -29107 -29107 3.7181 0.19512 -1.8334 6.4291e+05 2024-05-18 20:34:21,333 INFO [main.py:798]
{rank 0/64} MD step = 321400 step time: 00:00:00.346046 Performance: 31.098 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-18 20:34:27,392 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 90.096 -19134 9874.6 -29009 -29009 3.7209 0.19814 -1.8338 6.4314e+05 2024-05-18 20:35:02,233 INFO [main.py:798]
{rank 0/64} MD step = 321500 step time: 00:00:00.346923 Performance: 31.100 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-18 20:35:07,281 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 89.538 -19303 9813.5 -29117 -29117 3.7228 0.2014 -1.8324 6.433e+05 2024-05-18 20:35:42,752 INFO [main.py:798]
{rank 0/64} MD step = 321600 step time: 00:00:00.343954 Performance: 31.103 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-18 20:35:48,459 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 89.361 -19108 9794 -28902 -28902 3.7249 0.20563 -1.8327 6.4353e+05 2024-05-18 20:36:23,258 INFO [main.py:798]
{rank 0/64} MD step = 321700 step time: 00:00:00.345261 Performance: 31.106 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-18 20:36:31,663 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 89.613 -19131 9821.7 -28953 -28953 3.7268 0.2082 -1.8313 6.4371e+05 2024-05-18 20:37:06,680 INFO [main.py:798]
{rank 0/64} MD step = 321800 step time: 00:00:00.381657 Performance: 31.108 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-18 20:37:11,670 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 90.019 -19316 9866.2 -29182 -29182 3.727 0.213 -1.8296 6.4391e+05 2024-05-18 20:37:47,425 INFO [main.py:798]
{rank 0/64} MD step = 321900 step time: 00:00:00.354135 Performance: 31.110 ns/day 0.771 hours/ns 1.800 steps/s 2024-05-18 20:37:52,817 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 89.857 -19253 9848.4 -29101 -29101 3.7305 0.21864 -1.8296 6.4413e+05 2024-05-18 20:38:26,877 INFO [main.py:798]
{rank 0/64} MD step = 322000 step time: 00:00:00.342952 Performance: 31.113 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:38:33,074 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 90.218 -19191 9888.1 -29079 -29079 3.7333 0.22028 -1.8295 6.443e+05 2024-05-18 20:39:08,254 INFO [main.py:798]
{rank 0/64} MD step = 322100 step time: 00:00:00.329390 Performance: 31.116 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:39:14,718 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 89.301 -19413 9787.6 -29200 -29200 3.7355 0.22502 -1.8284 6.4446e+05 2024-05-18 20:39:49,498 INFO [main.py:798]
{rank 0/64} MD step = 322200 step time: 00:00:00.335162 Performance: 31.118 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:39:55,715 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 90.665 -19150 9937 -29087 -29087 3.738 0.2294 -1.8276 6.4469e+05 2024-05-18 20:40:30,120 INFO [main.py:798]
{rank 0/64} MD step = 322300 step time: 00:00:00.329005 Performance: 31.121 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:40:43,296 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 90.435 -19034 9911.8 -28946 -28946 3.7371 0.23399 -1.8267 6.4491e+05 2024-05-18 20:41:18,100 INFO [main.py:798]
{rank 0/64} MD step = 322400 step time: 00:00:00.336150 Performance: 31.122 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:41:24,618 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 90.209 -19178 9887 -29065 -29065 3.7379 0.23728 -1.8247 6.4514e+05 2024-05-18 20:41:59,017 INFO [main.py:798]
{rank 0/64} MD step = 322500 step time: 00:00:00.330314 Performance: 31.125 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:42:19,481 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 89.408 -19368 9799.3 -29167 -29167 3.7372 0.23975 -1.825 6.4535e+05 2024-05-18 20:42:54,093 INFO [main.py:798]
{rank 0/64} MD step = 322600 step time: 00:00:00.350531 Performance: 31.125 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:43:01,257 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 90.517 -19047 9920.7 -28968 -28968 3.7398 0.24499 -1.8241 6.4555e+05 2024-05-18 20:43:35,703 INFO [main.py:798]
{rank 0/64} MD step = 322700 step time: 00:00:00.337583 Performance: 31.127 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:43:43,033 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 89.057 -19300 9760.8 -29061 -29061 3.7407 0.24733 -1.8234 6.4576e+05 2024-05-18 20:44:17,264 INFO [main.py:798]
{rank 0/64} MD step = 322800 step time: 00:00:00.345761 Performance: 31.129 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 20:44:23,528 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 90.576 -19120 9927.3 -29048 -29048 3.7422 0.25395 -1.8226 6.4593e+05 2024-05-18 20:44:57,622 INFO [main.py:798]
{rank 0/64} MD step = 322900 step time: 00:00:00.331265 Performance: 31.132 ns/day 0.771 hours/ns 1.802 steps/s 2024-05-18 20:45:01,928 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 89.708 -19246 9832.1 -29078 -29078 3.7417 0.25988 -1.8204 6.4614e+05 2024-05-18 20:45:39,125 INFO [main.py:798]
{rank 0/64} MD step = 323000 step time: 00:00:00.345424 Performance: 31.135 ns/day 0.771 hours/ns 1.802 steps/s 2024-05-18 20:45:44,196 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 89.443 -19255 9803.1 -29058 -29058 3.7459 0.26411 -1.8198 6.4633e+05 2024-05-18 20:46:19,336 INFO [main.py:798]
{rank 0/64} MD step = 323100 step time: 00:00:00.329659 Performance: 31.137 ns/day 0.771 hours/ns 1.802 steps/s 2024-05-18 20:46:26,037 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 89.241 -19342 9781 -29123 -29123 3.7465 0.26558 -1.8223 6.4656e+05 2024-05-18 20:47:00,904 INFO [main.py:798]
{rank 0/64} MD step = 323200 step time: 00:00:00.348149 Performance: 31.140 ns/day 0.771 hours/ns 1.802 steps/s 2024-05-18 20:47:06,428 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 90.862 -19051 9958.6 -29009 -29009 3.7462 0.26948 -1.8238 6.4678e+05 2024-05-18 20:47:41,115 INFO [main.py:798]
{rank 0/64} MD step = 323300 step time: 00:00:00.354041 Performance: 31.142 ns/day 0.771 hours/ns 1.802 steps/s 2024-05-18 20:47:46,887 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 89.276 -19399 9784.8 -29184 -29184 3.7483 0.27445 -1.8227 6.4698e+05 2024-05-18 20:48:21,830 INFO [main.py:798]
{rank 0/64} MD step = 323400 step time: 00:00:00.353877 Performance: 31.145 ns/day 0.771 hours/ns 1.802 steps/s 2024-05-18 20:48:26,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323400 64680 91.006 -19015 9974.4 -28990 -28990 3.7516 0.27823 -1.8236 6.4722e+05 2024-05-18 20:49:02,527 INFO [main.py:798]
{rank 0/64} MD step = 323500 step time: 00:00:00.378460 Performance: 31.147 ns/day 0.771 hours/ns 1.803 steps/s 2024-05-18 20:49:09,299 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 90.132 -19127 9878.6 -29006 -29006 3.754 0.28066 -1.8237 6.4744e+05 2024-05-18 20:49:44,571 INFO [main.py:798]
{rank 0/64} MD step = 323600 step time: 00:00:00.378237 Performance: 31.150 ns/day 0.770 hours/ns 1.803 steps/s 2024-05-18 20:49:51,140 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 88.533 -19368 9703.4 -29072 -29072 3.7545 0.28436 -1.8249 6.4762e+05 2024-05-18 20:50:25,529 INFO [main.py:798]
{rank 0/64} MD step = 323700 step time: 00:00:00.355628 Performance: 31.152 ns/day 0.770 hours/ns 1.803 steps/s 2024-05-18 20:50:32,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323700 64740 89.671 -19336 9828.1 -29164 -29164 3.7562 0.28744 -1.8245 6.4783e+05 2024-05-18 20:51:06,653 INFO [main.py:798]
{rank 0/64} MD step = 323800 step time: 00:00:00.367908 Performance: 31.155 ns/day 0.770 hours/ns 1.803 steps/s 2024-05-18 20:51:13,811 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 88.136 -19414 9659.9 -29074 -29074 3.7562 0.291 -1.8227 6.4799e+05 2024-05-18 20:51:48,838 INFO [main.py:798]
{rank 0/64} MD step = 323900 step time: 00:00:00.351788 Performance: 31.157 ns/day 0.770 hours/ns 1.803 steps/s 2024-05-18 20:51:55,203 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 90.824 -19071 9954.4 -29025 -29025 3.7584 0.29552 -1.8234 6.4821e+05 2024-05-18 20:52:29,857 INFO [main.py:798]
{rank 0/64} MD step = 324000 step time: 00:00:00.353178 Performance: 31.160 ns/day 0.770 hours/ns 1.803 steps/s 2024-05-18 20:52:35,446 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 89.184 -19090 9774.7 -28865 -28865 3.7601 0.29998 -1.8222 6.4841e+05 2024-05-18 20:53:10,126 INFO [main.py:798]
{rank 0/64} MD step = 324100 step time: 00:00:00.362325 Performance: 31.162 ns/day 0.770 hours/ns 1.803 steps/s 2024-05-18 20:53:15,958 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 91.572 -18958 10036 -28994 -28994 3.7607 0.30369 -1.823 6.4861e+05 2024-05-18 20:53:50,524 INFO [main.py:798]
{rank 0/64} MD step = 324200 step time: 00:00:00.349860 Performance: 31.165 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 20:53:56,055 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 90.487 -19064 9917.4 -28981 -28981 3.7644 0.3061 -1.8223 6.4884e+05 2024-05-18 20:54:30,657 INFO [main.py:798]
{rank 0/64} MD step = 324300 step time: 00:00:00.352647 Performance: 31.167 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 20:54:37,738 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 90.173 -19054 9883.1 -28937 -28937 3.7671 0.31027 -1.8213 6.4905e+05 2024-05-18 20:55:13,517 INFO [main.py:798]
{rank 0/64} MD step = 324400 step time: 00:00:00.353190 Performance: 31.170 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 20:55:19,465 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 89.267 -19184 9783.8 -28968 -28968 3.7709 0.31293 -1.8205 6.4925e+05 2024-05-18 20:55:55,153 INFO [main.py:798]
{rank 0/64} MD step = 324500 step time: 00:00:00.371688 Performance: 31.172 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 20:56:08,770 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 89.236 -19025 9780.4 -28806 -28806 3.7736 0.31579 -1.82 6.4946e+05 2024-05-18 20:56:44,982 INFO [main.py:798]
{rank 0/64} MD step = 324600 step time: 00:00:00.371103 Performance: 31.173 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 20:56:50,361 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 89.135 -19086 9769.3 -28855 -28855 3.7752 0.32134 -1.8189 6.4966e+05 2024-05-18 20:57:24,882 INFO [main.py:798]
{rank 0/64} MD step = 324700 step time: 00:00:00.364860 Performance: 31.176 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 20:57:31,078 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 90.439 -19152 9912.2 -29065 -29065 3.7758 0.32501 -1.8182 6.4985e+05 2024-05-18 20:58:05,526 INFO [main.py:798]
{rank 0/64} MD step = 324800 step time: 00:00:00.355012 Performance: 31.178 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 20:58:14,346 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 88.631 -19231 9714 -28945 -28945 3.7766 0.32849 -1.8182 6.5008e+05 2024-05-18 20:58:49,025 INFO [main.py:798]
{rank 0/64} MD step = 324900 step time: 00:00:00.339894 Performance: 31.180 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 20:58:55,219 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 90.883 -18852 9960.9 -28813 -28813 3.7775 0.33087 -1.8184 6.5029e+05 2024-05-18 20:59:29,990 INFO [main.py:798]
{rank 0/64} MD step = 325000 step time: 00:00:00.356320 Performance: 31.183 ns/day 0.770 hours/ns 1.805 steps/s 2024-05-18 20:59:38,628 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 89.807 -19100 9843 -28943 -28943 3.7787 0.33462 -1.8168 6.5046e+05 2024-05-18 21:00:12,883 INFO [main.py:798]
{rank 0/64} MD step = 325100 step time: 00:00:00.339935 Performance: 31.185 ns/day 0.770 hours/ns 1.805 steps/s 2024-05-18 21:00:20,081 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 88.859 -19139 9739.1 -28878 -28878 3.7815 0.3361 -1.8163 6.5065e+05 2024-05-18 21:00:54,765 INFO [main.py:798]
{rank 0/64} MD step = 325200 step time: 00:00:00.342886 Performance: 31.187 ns/day 0.770 hours/ns 1.805 steps/s 2024-05-18 21:00:59,767 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 90.228 -19387 9889 -29276 -29276 3.7859 0.34038 -1.8156 6.5083e+05 2024-05-18 21:01:33,970 INFO [main.py:798]
{rank 0/64} MD step = 325300 step time: 00:00:00.355123 Performance: 31.190 ns/day 0.769 hours/ns 1.805 steps/s 2024-05-18 21:01:40,400 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 90.246 -19240 9891.1 -29131 -29131 3.791 0.34444 -1.8159 6.5101e+05 2024-05-18 21:02:15,027 INFO [main.py:798]
{rank 0/64} MD step = 325400 step time: 00:00:00.352298 Performance: 31.193 ns/day 0.769 hours/ns 1.805 steps/s 2024-05-18 21:02:21,165 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 89.279 -19227 9785.1 -29012 -29012 3.7935 0.34495 -1.8157 6.5124e+05 2024-05-18 21:02:55,483 INFO [main.py:798]
{rank 0/64} MD step = 325500 step time: 00:00:00.333417 Performance: 31.195 ns/day 0.769 hours/ns 1.805 steps/s 2024-05-18 21:03:03,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325500 65100 90.124 -19297 9877.7 -29174 -29174 3.7932 0.34764 -1.8149 6.5143e+05 2024-05-18 21:03:37,843 INFO [main.py:798]
{rank 0/64} MD step = 325600 step time: 00:00:00.370743 Performance: 31.197 ns/day 0.769 hours/ns 1.805 steps/s 2024-05-18 21:03:45,445 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 89.072 -19489 9762.5 -29252 -29252 3.7939 0.35213 -1.8148 6.516e+05 2024-05-18 21:04:19,874 INFO [main.py:798]
{rank 0/64} MD step = 325700 step time: 00:00:00.344994 Performance: 31.200 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 21:04:26,068 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 90.105 -19354 9875.6 -29230 -29230 3.7938 0.35594 -1.8162 6.518e+05 2024-05-18 21:05:00,890 INFO [main.py:798]
{rank 0/64} MD step = 325800 step time: 00:00:00.351609 Performance: 31.202 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 21:05:09,762 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 91.119 -19091 9986.7 -29078 -29078 3.7937 0.35903 -1.8165 6.5203e+05 2024-05-18 21:05:44,133 INFO [main.py:798]
{rank 0/64} MD step = 325900 step time: 00:00:00.351251 Performance: 31.204 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 21:05:50,569 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 90.399 -19236 9907.8 -29144 -29144 3.7958 0.36307 -1.8164 6.5221e+05 2024-05-18 21:06:26,350 INFO [main.py:798]
{rank 0/64} MD step = 326000 step time: 00:00:00.371357 Performance: 31.207 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 21:06:32,335 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 90.459 -19236 9914.4 -29150 -29150 3.7975 0.36682 -1.8171 6.5239e+05 2024-05-18 21:07:06,010 INFO [main.py:798]
{rank 0/64} MD step = 326100 step time: 00:00:00.339055 Performance: 31.209 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 21:07:12,125 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 89.313 -19358 9788.8 -29147 -29147 3.7995 0.37057 -1.8177 6.5262e+05 2024-05-18 21:07:47,794 INFO [main.py:798]
{rank 0/64} MD step = 326200 step time: 00:00:00.345602 Performance: 31.212 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 21:07:53,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326200 65240 90.092 -19300 9874.2 -29174 -29174 3.8003 0.37356 -1.8179 6.5277e+05 2024-05-18 21:08:28,248 INFO [main.py:798]
{rank 0/64} MD step = 326300 step time: 00:00:00.354378 Performance: 31.214 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 21:08:33,262 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 90.515 -19200 9920.6 -29121 -29121 3.8023 0.37793 -1.8186 6.5294e+05 2024-05-18 21:09:07,864 INFO [main.py:798]
{rank 0/64} MD step = 326400 step time: 00:00:00.357732 Performance: 31.217 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 21:09:13,565 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 89.809 -19031 9843.1 -28874 -28874 3.8041 0.38015 -1.8192 6.5317e+05 2024-05-18 21:09:48,398 INFO [main.py:798]
{rank 0/64} MD step = 326500 step time: 00:00:00.358648 Performance: 31.219 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 21:09:55,767 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 89.77 -19116 9838.9 -28955 -28955 3.8074 0.38113 -1.8193 6.534e+05 2024-05-18 21:10:30,364 INFO [main.py:798]
{rank 0/64} MD step = 326600 step time: 00:00:00.348838 Performance: 31.222 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 21:10:35,300 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 89.069 -19101 9762.1 -28863 -28863 3.811 0.38486 -1.8202 6.5365e+05 2024-05-18 21:11:10,395 INFO [main.py:798]
{rank 0/64} MD step = 326700 step time: 00:00:00.329398 Performance: 31.224 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 21:11:16,446 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 89.152 -19443 9771.2 -29214 -29214 3.8137 0.38792 -1.8208 6.5377e+05 2024-05-18 21:11:50,475 INFO [main.py:798]
{rank 0/64} MD step = 326800 step time: 00:00:00.329001 Performance: 31.227 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 21:11:58,533 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 89.604 -19376 9820.7 -29196 -29196 3.8162 0.38956 -1.8198 6.5397e+05 2024-05-18 21:12:33,174 INFO [main.py:798]
{rank 0/64} MD step = 326900 step time: 00:00:00.329974 Performance: 31.229 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 21:12:42,420 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 90.757 -19264 9947.1 -29211 -29211 3.8166 0.39498 -1.8199 6.542e+05 2024-05-18 21:13:15,652 INFO [main.py:798]
{rank 0/64} MD step = 327000 step time: 00:00:00.342345 Performance: 31.231 ns/day 0.768 hours/ns 1.807 steps/s 2024-05-18 21:13:26,351 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 91.318 -19073 10009 -29082 -29082 3.8203 0.39945 -1.8209 6.544e+05 2024-05-18 21:14:00,671 INFO [main.py:798]
{rank 0/64} MD step = 327100 step time: 00:00:00.349310 Performance: 31.233 ns/day 0.768 hours/ns 1.807 steps/s 2024-05-18 21:14:07,272 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 92.305 -19035 10117 -29151 -29151 3.8237 0.40198 -1.8222 6.5463e+05 2024-05-18 21:14:41,673 INFO [main.py:798]
{rank 0/64} MD step = 327200 step time: 00:00:00.357643 Performance: 31.236 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 21:14:47,759 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 89.206 -19285 9777.1 -29062 -29062 3.8256 0.40604 -1.8237 6.5482e+05 2024-05-18 21:15:22,386 INFO [main.py:798]
{rank 0/64} MD step = 327300 step time: 00:00:00.349685 Performance: 31.238 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 21:15:30,255 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 89.905 -19482 9853.7 -29335 -29335 3.828 0.40997 -1.825 6.5498e+05 2024-05-18 21:16:05,059 INFO [main.py:798]
{rank 0/64} MD step = 327400 step time: 00:00:00.331388 Performance: 31.240 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 21:16:15,019 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 89.537 -19350 9813.4 -29163 -29163 3.8308 0.41191 -1.8262 6.5525e+05 2024-05-18 21:16:49,564 INFO [main.py:798]
{rank 0/64} MD step = 327500 step time: 00:00:00.343528 Performance: 31.242 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 21:16:55,537 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 90.741 -19335 9945.3 -29281 -29281 3.8348 0.41888 -1.8274 6.5544e+05 2024-05-18 21:17:30,095 INFO [main.py:798]
{rank 0/64} MD step = 327600 step time: 00:00:00.335458 Performance: 31.245 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 21:17:36,694 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 91.134 -19106 9988.4 -29095 -29095 3.8381 0.42237 -1.8281 6.5561e+05 2024-05-18 21:18:11,622 INFO [main.py:798]
{rank 0/64} MD step = 327700 step time: 00:00:00.330616 Performance: 31.247 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 21:18:18,117 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 89.983 -19326 9862.2 -29189 -29189 3.8401 0.42428 -1.8275 6.5581e+05 2024-05-18 21:18:52,677 INFO [main.py:798]
{rank 0/64} MD step = 327800 step time: 00:00:00.335749 Performance: 31.250 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 21:18:58,552 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 89.186 -19459 9774.9 -29234 -29234 3.8427 0.42692 -1.826 6.5603e+05 2024-05-18 21:19:33,287 INFO [main.py:798]
{rank 0/64} MD step = 327900 step time: 00:00:00.331824 Performance: 31.252 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 21:19:41,028 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 90.177 -19314 9883.5 -29198 -29198 3.8445 0.43051 -1.8247 6.562e+05 2024-05-18 21:20:15,848 INFO [main.py:798]
{rank 0/64} MD step = 328000 step time: 00:00:00.331991 Performance: 31.254 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 21:20:21,597 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 89.684 -19265 9829.5 -29095 -29095 3.8466 0.43507 -1.8244 6.564e+05 2024-05-18 21:20:56,373 INFO [main.py:798]
{rank 0/64} MD step = 328100 step time: 00:00:00.328007 Performance: 31.257 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 21:21:07,282 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 89.698 -19296 9831 -29127 -29127 3.8483 0.43789 -1.8253 6.566e+05 2024-05-18 21:21:41,738 INFO [main.py:798]
{rank 0/64} MD step = 328200 step time: 00:00:00.350479 Performance: 31.259 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 21:21:49,675 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 90.046 -19047 9869.2 -28917 -28917 3.8534 0.44383 -1.8259 6.5684e+05 2024-05-18 21:22:24,699 INFO [main.py:798]
{rank 0/64} MD step = 328300 step time: 00:00:00.376145 Performance: 31.261 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 21:22:31,174 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 90.139 -19377 9879.4 -29257 -29257 3.8553 0.44669 -1.8247 6.57e+05 2024-05-18 21:23:06,556 INFO [main.py:798]
{rank 0/64} MD step = 328400 step time: 00:00:00.342250 Performance: 31.263 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 21:23:13,063 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 90.555 -19223 9925 -29148 -29148 3.8575 0.45128 -1.8256 6.5719e+05 2024-05-18 21:23:47,190 INFO [main.py:798]
{rank 0/64} MD step = 328500 step time: 00:00:00.346367 Performance: 31.266 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 21:23:55,128 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 90.014 -19617 9865.6 -29482 -29482 3.8634 0.45375 -1.8262 6.5741e+05 2024-05-18 21:24:30,262 INFO [main.py:798]
{rank 0/64} MD step = 328600 step time: 00:00:00.352080 Performance: 31.268 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 21:24:37,331 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 89.679 -19421 9829 -29250 -29250 3.8694 0.45852 -1.8294 6.5763e+05 2024-05-18 21:25:12,216 INFO [main.py:798]
{rank 0/64} MD step = 328700 step time: 00:00:00.347367 Performance: 31.270 ns/day 0.768 hours/ns 1.810 steps/s 2024-05-18 21:25:18,823 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 88.963 -19421 9750.4 -29172 -29172 3.8729 0.46058 -1.8314 6.5783e+05 2024-05-18 21:25:53,273 INFO [main.py:798]
{rank 0/64} MD step = 328800 step time: 00:00:00.343642 Performance: 31.272 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 21:26:09,740 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 90.309 -19462 9897.9 -29360 -29360 3.8754 0.46446 -1.8297 6.5802e+05 2024-05-18 21:26:48,142 INFO [main.py:798]
{rank 0/64} MD step = 328900 step time: 00:00:00.348892 Performance: 31.273 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 21:26:54,122 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 89.886 -19461 9851.6 -29313 -29313 3.88 0.46845 -1.8289 6.5823e+05 2024-05-18 21:27:28,663 INFO [main.py:798]
{rank 0/64} MD step = 329000 step time: 00:00:00.348382 Performance: 31.275 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 21:27:34,752 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 88.969 -19322 9751.1 -29073 -29073 3.8827 0.47178 -1.8297 6.5847e+05 2024-05-18 21:28:08,875 INFO [main.py:798]
{rank 0/64} MD step = 329100 step time: 00:00:00.339088 Performance: 31.278 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 21:28:15,351 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 90.198 -19275 9885.8 -29161 -29161 3.8872 0.47485 -1.8295 6.5869e+05 2024-05-18 21:28:49,501 INFO [main.py:798]
{rank 0/64} MD step = 329200 step time: 00:00:00.349459 Performance: 31.280 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 21:28:58,642 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 88.713 -19522 9723 -29245 -29245 3.8897 0.47847 -1.8287 6.5887e+05 2024-05-18 21:29:32,686 INFO [main.py:798]
{rank 0/64} MD step = 329300 step time: 00:00:00.344309 Performance: 31.282 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 21:29:57,743 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 89.918 -19384 9855.2 -29239 -29239 3.8923 0.48443 -1.8275 6.591e+05 2024-05-18 21:30:31,411 INFO [main.py:798]
{rank 0/64} MD step = 329400 step time: 00:00:00.344300 Performance: 31.282 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 21:30:36,895 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 90.282 -19165 9895 -29060 -29060 3.8961 0.48837 -1.8254 6.5933e+05 2024-05-18 21:31:14,017 INFO [main.py:798]
{rank 0/64} MD step = 329500 step time: 00:00:00.329169 Performance: 31.284 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 21:31:23,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329500 65900 91.933 -19157 10076 -29233 -29233 3.9002 0.4909 -1.8245 6.595e+05 2024-05-18 21:31:58,018 INFO [main.py:798]
{rank 0/64} MD step = 329600 step time: 00:00:00.326929 Performance: 31.286 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 21:32:10,445 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 89.006 -19309 9755.2 -29064 -29064 3.9018 0.49616 -1.8236 6.5973e+05 2024-05-18 21:32:45,081 INFO [main.py:798]
{rank 0/64} MD step = 329700 step time: 00:00:00.335148 Performance: 31.287 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 21:32:52,813 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 90.749 -19184 9946.2 -29130 -29130 3.9025 0.50043 -1.8256 6.5992e+05 2024-05-18 21:33:27,712 INFO [main.py:798]
{rank 0/64} MD step = 329800 step time: 00:00:00.336720 Performance: 31.289 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 21:33:35,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329800 65960 88.379 -19371 9686.5 -29057 -29057 3.9042 0.50385 -1.8246 6.6016e+05 2024-05-18 21:34:10,383 INFO [main.py:798]
{rank 0/64} MD step = 329900 step time: 00:00:00.380373 Performance: 31.291 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 21:34:16,835 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 89.257 -19405 9782.7 -29188 -29188 3.9067 0.50544 -1.8258 6.6036e+05 2024-05-18 21:34:53,434 INFO [main.py:798]
{rank 0/64} MD step = 330000 step time: 00:00:00.327399 Performance: 31.294 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 21:34:59,733 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 89.487 -19224 9807.9 -29032 -29032 3.9109 0.50863 -1.8262 6.6057e+05 2024-05-18 21:35:34,312 INFO [main.py:798]
{rank 0/64} MD step = 330100 step time: 00:00:00.335330 Performance: 31.296 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 21:35:40,770 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 90.056 -19334 9870.3 -29204 -29204 3.9155 0.51355 -1.8261 6.6075e+05 2024-05-18 21:36:15,922 INFO [main.py:798]
{rank 0/64} MD step = 330200 step time: 00:00:00.330310 Performance: 31.298 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 21:36:22,374 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 90.766 -19111 9948.1 -29059 -29059 3.9197 0.51801 -1.8251 6.6098e+05 2024-05-18 21:36:57,417 INFO [main.py:798]
{rank 0/64} MD step = 330300 step time: 00:00:00.331143 Performance: 31.301 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 21:37:03,686 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 90.267 -19266 9893.4 -29159 -29159 3.9224 0.52329 -1.8235 6.6115e+05 2024-05-18 21:37:39,021 INFO [main.py:798]
{rank 0/64} MD step = 330400 step time: 00:00:00.332974 Performance: 31.303 ns/day 0.767 hours/ns 1.812 steps/s 2024-05-18 21:37:51,577 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 89.749 -19533 9836.6 -29369 -29369 3.9262 0.52738 -1.8239 6.6133e+05 2024-05-18 21:38:26,470 INFO [main.py:798]
{rank 0/64} MD step = 330500 step time: 00:00:00.330009 Performance: 31.304 ns/day 0.767 hours/ns 1.812 steps/s 2024-05-18 21:38:32,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330500 66100 91.356 -19292 10013 -29304 -29304 3.9295 0.53111 -1.8225 6.6155e+05 2024-05-18 21:39:08,848 INFO [main.py:798]
{rank 0/64} MD step = 330600 step time: 00:00:00.330102 Performance: 31.307 ns/day 0.767 hours/ns 1.812 steps/s 2024-05-18 21:39:15,564 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 91.701 -19238 10050 -29288 -29288 3.9335 0.53495 -1.8208 6.6174e+05 2024-05-18 21:39:51,027 INFO [main.py:798]
{rank 0/64} MD step = 330700 step time: 00:00:00.332223 Performance: 31.309 ns/day 0.767 hours/ns 1.812 steps/s 2024-05-18 21:39:57,298 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 88.986 -19671 9753 -29424 -29424 3.9376 0.53894 -1.819 6.6195e+05 2024-05-18 21:40:32,387 INFO [main.py:798]
{rank 0/64} MD step = 330800 step time: 00:00:00.330999 Performance: 31.311 ns/day 0.766 hours/ns 1.812 steps/s 2024-05-18 21:40:40,621 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 89.641 -19484 9824.7 -29309 -29309 3.9431 0.54231 -1.8185 6.6211e+05 2024-05-18 21:41:14,992 INFO [main.py:798]
{rank 0/64} MD step = 330900 step time: 00:00:00.343000 Performance: 31.313 ns/day 0.766 hours/ns 1.812 steps/s 2024-05-18 21:41:22,638 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 88.904 -19580 9744 -29324 -29324 3.9467 0.54478 -1.8172 6.6231e+05 2024-05-18 21:41:57,236 INFO [main.py:798]
{rank 0/64} MD step = 331000 step time: 00:00:00.345223 Performance: 31.316 ns/day 0.766 hours/ns 1.812 steps/s 2024-05-18 21:42:04,147 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 88.169 -19739 9663.5 -29403 -29403 3.9478 0.55014 -1.8165 6.6249e+05 2024-05-18 21:42:39,191 INFO [main.py:798]
{rank 0/64} MD step = 331100 step time: 00:00:00.332188 Performance: 31.318 ns/day 0.766 hours/ns 1.812 steps/s 2024-05-18 21:42:45,115 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 90.798 -19411 9951.6 -29363 -29363 3.9495 0.55298 -1.8178 6.6268e+05 2024-05-18 21:43:19,798 INFO [main.py:798]
{rank 0/64} MD step = 331200 step time: 00:00:00.328476 Performance: 31.320 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 21:43:26,033 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 89.928 -19332 9856.2 -29188 -29188 3.9539 0.55717 -1.8172 6.6286e+05 2024-05-18 21:44:00,516 INFO [main.py:798]
{rank 0/64} MD step = 331300 step time: 00:00:00.327143 Performance: 31.323 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 21:44:07,234 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 89.737 -19625 9835.3 -29461 -29461 3.9558 0.56101 -1.8179 6.6304e+05 2024-05-18 21:44:41,659 INFO [main.py:798]
{rank 0/64} MD step = 331400 step time: 00:00:00.327766 Performance: 31.325 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 21:44:47,621 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 88.659 -19555 9717.2 -29272 -29272 3.9603 0.56443 -1.818 6.6327e+05 2024-05-18 21:45:22,395 INFO [main.py:798]
{rank 0/64} MD step = 331500 step time: 00:00:00.354121 Performance: 31.328 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 21:45:29,421 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 91.199 -19257 9995.5 -29252 -29252 3.966 0.56811 -1.8171 6.635e+05 2024-05-18 21:46:05,271 INFO [main.py:798]
{rank 0/64} MD step = 331600 step time: 00:00:00.379368 Performance: 31.330 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 21:46:11,960 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 89.271 -19322 9784.2 -29106 -29106 3.9718 0.57331 -1.8147 6.6374e+05 2024-05-18 21:46:46,390 INFO [main.py:798]
{rank 0/64} MD step = 331700 step time: 00:00:00.342709 Performance: 31.332 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 21:46:53,237 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 91.854 -18735 10067 -28803 -28803 3.9745 0.57788 -1.8149 6.6396e+05 2024-05-18 21:47:28,361 INFO [main.py:798]
{rank 0/64} MD step = 331800 step time: 00:00:00.349863 Performance: 31.334 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 21:47:33,581 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 90.172 -19388 9883 -29271 -29271 3.9784 0.58213 -1.8151 6.6412e+05 2024-05-18 21:48:10,376 INFO [main.py:798]
{rank 0/64} MD step = 331900 step time: 00:00:00.337349 Performance: 31.337 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 21:48:16,037 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 89.086 -19356 9763.9 -29120 -29120 3.9813 0.58784 -1.816 6.6434e+05 2024-05-18 21:48:50,762 INFO [main.py:798]
{rank 0/64} MD step = 332000 step time: 00:00:00.352852 Performance: 31.339 ns/day 0.766 hours/ns 1.814 steps/s 2024-05-18 21:48:55,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332000 66400 91.26 -19122 10002 -29125 -29125 3.9837 0.59104 -1.8164 6.6456e+05 2024-05-18 21:49:30,406 INFO [main.py:798]
{rank 0/64} MD step = 332100 step time: 00:00:00.354563 Performance: 31.342 ns/day 0.766 hours/ns 1.814 steps/s 2024-05-18 21:49:36,844 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 89.15 -19379 9770.9 -29150 -29150 3.9868 0.5948 -1.8163 6.6475e+05 2024-05-18 21:50:11,868 INFO [main.py:798]
{rank 0/64} MD step = 332200 step time: 00:00:00.365692 Performance: 31.344 ns/day 0.766 hours/ns 1.814 steps/s 2024-05-18 21:50:16,926 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 90.68 -19272 9938.6 -29211 -29211 3.9912 0.59813 -1.8166 6.6491e+05 2024-05-18 21:50:51,394 INFO [main.py:798]
{rank 0/64} MD step = 332300 step time: 00:00:00.350775 Performance: 31.347 ns/day 0.766 hours/ns 1.814 steps/s 2024-05-18 21:50:59,172 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 90.356 -19051 9903.1 -28954 -28954 3.9934 0.60055 -1.8171 6.6516e+05 2024-05-18 21:51:35,538 INFO [main.py:798]
{rank 0/64} MD step = 332400 step time: 00:00:00.372816 Performance: 31.349 ns/day 0.766 hours/ns 1.814 steps/s 2024-05-18 21:51:41,224 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 88.791 -19226 9731.6 -28957 -28957 3.9967 0.60308 -1.8161 6.6535e+05 2024-05-18 21:52:16,112 INFO [main.py:798]
{rank 0/64} MD step = 332500 step time: 00:00:00.336248 Performance: 31.351 ns/day 0.766 hours/ns 1.814 steps/s 2024-05-18 21:52:22,015 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 90.974 -18958 9970.9 -28929 -28929 3.9996 0.60513 -1.8137 6.655e+05 2024-05-18 21:52:57,117 INFO [main.py:798]
{rank 0/64} MD step = 332600 step time: 00:00:00.334507 Performance: 31.354 ns/day 0.765 hours/ns 1.814 steps/s 2024-05-18 21:53:02,661 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 90.446 -18967 9913 -28880 -28880 4.0021 0.60906 -1.813 6.657e+05 2024-05-18 21:53:37,556 INFO [main.py:798]
{rank 0/64} MD step = 332700 step time: 00:00:00.339201 Performance: 31.356 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:53:43,472 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 89.669 -19162 9827.8 -28990 -28990 4.0044 0.61282 -1.812 6.6589e+05 2024-05-18 21:54:18,271 INFO [main.py:798]
{rank 0/64} MD step = 332800 step time: 00:00:00.345410 Performance: 31.359 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:54:23,926 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 90.452 -18906 9913.7 -28820 -28820 4.0053 0.61645 -1.8129 6.6608e+05 2024-05-18 21:54:59,982 INFO [main.py:798]
{rank 0/64} MD step = 332900 step time: 00:00:00.370699 Performance: 31.361 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:55:16,725 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 88.701 -18983 9721.7 -28704 -28704 4.008 0.62045 -1.8134 6.6631e+05 2024-05-18 21:55:51,895 INFO [main.py:798]
{rank 0/64} MD step = 333000 step time: 00:00:00.354253 Performance: 31.361 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:55:58,713 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 89.693 -18913 9830.5 -28744 -28744 4.011 0.62337 -1.8149 6.6656e+05 2024-05-18 21:56:35,775 INFO [main.py:798]
{rank 0/64} MD step = 333100 step time: 00:00:00.380533 Performance: 31.363 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:56:42,296 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 90.398 -18798 9907.7 -28706 -28706 4.0105 0.62712 -1.8154 6.6673e+05 2024-05-18 21:57:16,610 INFO [main.py:798]
{rank 0/64} MD step = 333200 step time: 00:00:00.352102 Performance: 31.366 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:57:23,043 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 89.821 -18900 9844.5 -28744 -28744 4.0093 0.62972 -1.8165 6.6693e+05 2024-05-18 21:57:57,666 INFO [main.py:798]
{rank 0/64} MD step = 333300 step time: 00:00:00.339209 Performance: 31.368 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:58:10,697 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 90.144 -18788 9879.8 -28668 -28668 4.0092 0.63211 -1.8157 6.6716e+05 2024-05-18 21:58:45,460 INFO [main.py:798]
{rank 0/64} MD step = 333400 step time: 00:00:00.351668 Performance: 31.369 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:58:51,871 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 90.805 -18907 9952.3 -28859 -28859 4.0106 0.63382 -1.8164 6.6734e+05 2024-05-18 21:59:28,555 INFO [main.py:798]
{rank 0/64} MD step = 333500 step time: 00:00:00.371473 Performance: 31.371 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 21:59:40,014 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 88.273 -19217 9674.9 -28892 -28892 4.0102 0.63737 -1.8175 6.6753e+05 2024-05-18 22:00:13,935 INFO [main.py:798]
{rank 0/64} MD step = 333600 step time: 00:00:00.345329 Performance: 31.373 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 22:00:20,512 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 89.759 -19189 9837.7 -29027 -29027 4.0119 0.6407 -1.8181 6.6772e+05 2024-05-18 22:00:54,802 INFO [main.py:798]
{rank 0/64} MD step = 333700 step time: 00:00:00.353488 Performance: 31.376 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 22:01:04,624 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 90.238 -18921 9890.1 -28811 -28811 4.0145 0.64341 -1.8169 6.6796e+05 2024-05-18 22:01:39,572 INFO [main.py:798]
{rank 0/64} MD step = 333800 step time: 00:00:00.349820 Performance: 31.377 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 22:01:47,295 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 89.503 -19123 9809.7 -28932 -28932 4.0172 0.64973 -1.8159 6.6815e+05 2024-05-18 22:02:22,500 INFO [main.py:798]
{rank 0/64} MD step = 333900 step time: 00:00:00.372442 Performance: 31.379 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 22:02:28,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333900 66780 90.365 -19002 9904.1 -28906 -28906 4.0175 0.65344 -1.8164 6.6835e+05 2024-05-18 22:03:02,488 INFO [main.py:798]
{rank 0/64} MD step = 334000 step time: 00:00:00.336362 Performance: 31.382 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 22:03:12,969 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 89.983 -18989 9862.3 -28851 -28851 4.0187 0.6564 -1.8148 6.6857e+05 2024-05-18 22:03:46,043 INFO [main.py:798]
{rank 0/64} MD step = 334100 step time: 00:00:00.349093 Performance: 31.384 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 22:03:52,882 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 88.945 -19324 9748.4 -29073 -29073 4.0206 0.6576 -1.8146 6.6875e+05 2024-05-18 22:04:28,229 INFO [main.py:798]
{rank 0/64} MD step = 334200 step time: 00:00:00.352756 Performance: 31.386 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 22:04:35,513 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 88.488 -19330 9698.4 -29029 -29029 4.0228 0.65863 -1.8145 6.69e+05 2024-05-18 22:05:10,210 INFO [main.py:798]
{rank 0/64} MD step = 334300 step time: 00:00:00.339139 Performance: 31.388 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 22:05:19,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 66860 89.92 -19157 9855.4 -29012 -29012 4.0252 0.66227 -1.8147 6.6917e+05 2024-05-18 22:05:53,202 INFO [main.py:798]
{rank 0/64} MD step = 334400 step time: 00:00:00.330124 Performance: 31.390 ns/day 0.765 hours/ns 1.817 steps/s 2024-05-18 22:06:01,516 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 88.556 -19162 9705.8 -28868 -28868 4.0264 0.66766 -1.815 6.6939e+05 2024-05-18 22:06:35,452 INFO [main.py:798]
{rank 0/64} MD step = 334500 step time: 00:00:00.328812 Performance: 31.393 ns/day 0.765 hours/ns 1.817 steps/s 2024-05-18 22:06:45,496 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 90.167 -18997 9882.4 -28879 -28879 4.0288 0.6708 -1.8164 6.6957e+05 2024-05-18 22:07:20,571 INFO [main.py:798]
{rank 0/64} MD step = 334600 step time: 00:00:00.372640 Performance: 31.394 ns/day 0.764 hours/ns 1.817 steps/s 2024-05-18 22:07:27,931 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 90.239 -18718 9890.3 -28608 -28608 4.0314 0.67467 -1.817 6.6982e+05 2024-05-18 22:08:02,974 INFO [main.py:798]
{rank 0/64} MD step = 334700 step time: 00:00:00.332436 Performance: 31.396 ns/day 0.764 hours/ns 1.817 steps/s 2024-05-18 22:08:08,803 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 89.653 -19089 9826 -28915 -28915 4.0318 0.67811 -1.8166 6.6997e+05 2024-05-18 22:08:43,962 INFO [main.py:798]
{rank 0/64} MD step = 334800 step time: 00:00:00.333682 Performance: 31.399 ns/day 0.764 hours/ns 1.817 steps/s 2024-05-18 22:08:51,494 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 89.014 -19311 9756.1 -29067 -29067 4.0314 0.68179 -1.816 6.7016e+05 2024-05-18 22:09:26,241 INFO [main.py:798]
{rank 0/64} MD step = 334900 step time: 00:00:00.333103 Performance: 31.401 ns/day 0.764 hours/ns 1.817 steps/s 2024-05-18 22:09:32,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334900 66980 88.902 -19178 9743.8 -28921 -28921 4.0309 0.68565 -1.8155 6.7043e+05 2024-05-18 22:10:08,515 INFO [main.py:798]
{rank 0/64} MD step = 335000 step time: 00:00:00.353489 Performance: 31.403 ns/day 0.764 hours/ns 1.817 steps/s 2024-05-18 22:10:16,729 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 89.273 -19024 9784.5 -28808 -28808 4.0342 0.68665 -1.8161 6.7063e+05 2024-05-18 22:10:53,814 INFO [main.py:798]
{rank 0/64} MD step = 335100 step time: 00:00:00.333985 Performance: 31.405 ns/day 0.764 hours/ns 1.817 steps/s 2024-05-18 22:11:01,444 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 90.476 -18973 9916.3 -28889 -28889 4.0359 0.6881 -1.8154 6.7081e+05 2024-05-18 22:11:36,351 INFO [main.py:798]
{rank 0/64} MD step = 335200 step time: 00:00:00.334031 Performance: 31.407 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 22:11:44,582 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 89.345 -19353 9792.4 -29145 -29145 4.038 0.69245 -1.815 6.7096e+05 2024-05-18 22:12:19,486 INFO [main.py:798]
{rank 0/64} MD step = 335300 step time: 00:00:00.338097 Performance: 31.409 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 22:12:24,239 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 91.461 -18805 10024 -28829 -28829 4.0388 0.69528 -1.8155 6.7118e+05 2024-05-18 22:12:58,782 INFO [main.py:798]
{rank 0/64} MD step = 335400 step time: 00:00:00.335373 Performance: 31.412 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 22:13:06,513 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 89.614 -18906 9821.8 -28727 -28727 4.0409 0.69897 -1.8145 6.7135e+05 2024-05-18 22:13:41,276 INFO [main.py:798]
{rank 0/64} MD step = 335500 step time: 00:00:00.329511 Performance: 31.414 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 22:13:47,136 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 90.58 -18841 9927.6 -28769 -28769 4.0418 0.70019 -1.815 6.7151e+05 2024-05-18 22:14:21,375 INFO [main.py:798]
{rank 0/64} MD step = 335600 step time: 00:00:00.333818 Performance: 31.416 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 22:14:30,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335600 67120 89.829 -18964 9845.4 -28810 -28810 4.0436 0.7032 -1.814 6.7174e+05 2024-05-18 22:15:07,048 INFO [main.py:798]
{rank 0/64} MD step = 335700 step time: 00:00:00.346749 Performance: 31.418 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 22:15:13,607 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 89.626 -18946 9823.2 -28769 -28769 4.0441 0.70375 -1.8133 6.7191e+05 2024-05-18 22:15:47,985 INFO [main.py:798]
{rank 0/64} MD step = 335800 step time: 00:00:00.336917 Performance: 31.420 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 22:15:54,267 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 89.693 -18909 9830.5 -28739 -28739 4.0447 0.70636 -1.8124 6.7207e+05 2024-05-18 22:16:29,113 INFO [main.py:798]
{rank 0/64} MD step = 335900 step time: 00:00:00.339674 Performance: 31.423 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 22:16:36,322 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 91.633 -18750 10043 -28793 -28793 4.0452 0.71178 -1.8122 6.7226e+05 2024-05-18 22:17:11,364 INFO [main.py:798]
{rank 0/64} MD step = 336000 step time: 00:00:00.349184 Performance: 31.425 ns/day 0.764 hours/ns 1.819 steps/s 2024-05-18 22:17:16,825 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 89.469 -19071 9805.9 -28876 -28876 4.0471 0.71604 -1.8119 6.7248e+05 2024-05-18 22:17:51,519 INFO [main.py:798]
{rank 0/64} MD step = 336100 step time: 00:00:00.350096 Performance: 31.427 ns/day 0.764 hours/ns 1.819 steps/s 2024-05-18 22:18:00,541 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 89.47 -19060 9806.1 -28866 -28866 4.0493 0.71894 -1.8126 6.7267e+05 2024-05-18 22:18:35,337 INFO [main.py:798]
{rank 0/64} MD step = 336200 step time: 00:00:00.348868 Performance: 31.429 ns/day 0.764 hours/ns 1.819 steps/s 2024-05-18 22:18:43,787 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 88.498 -19162 9699.4 -28861 -28861 4.0501 0.72143 -1.8138 6.7289e+05 2024-05-18 22:19:20,015 INFO [main.py:798]
{rank 0/64} MD step = 336300 step time: 00:00:00.377308 Performance: 31.431 ns/day 0.764 hours/ns 1.819 steps/s 2024-05-18 22:19:42,146 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 90.089 -19003 9873.9 -28877 -28877 4.051 0.72583 -1.8145 6.7305e+05 2024-05-18 22:20:17,060 INFO [main.py:798]
{rank 0/64} MD step = 336400 step time: 00:00:00.332717 Performance: 31.431 ns/day 0.764 hours/ns 1.819 steps/s 2024-05-18 22:20:23,623 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 89.697 -18706 9831 -28537 -28537 4.0502 0.72718 -1.8126 6.7331e+05 2024-05-18 22:21:00,424 INFO [main.py:798]
{rank 0/64} MD step = 336500 step time: 00:00:00.375837 Performance: 31.433 ns/day 0.764 hours/ns 1.819 steps/s 2024-05-18 22:21:06,835 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 89.177 -18659 9773.9 -28433 -28433 4.049 0.73063 -1.8136 6.735e+05 2024-05-18 22:21:41,784 INFO [main.py:798]
{rank 0/64} MD step = 336600 step time: 00:00:00.338051 Performance: 31.435 ns/day 0.763 hours/ns 1.819 steps/s 2024-05-18 22:21:47,986 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 90.668 -18558 9937.3 -28496 -28496 4.0474 0.73479 -1.8134 6.7369e+05 2024-05-18 22:22:22,385 INFO [main.py:798]
{rank 0/64} MD step = 336700 step time: 00:00:00.335379 Performance: 31.437 ns/day 0.763 hours/ns 1.819 steps/s 2024-05-18 22:22:29,115 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 89.53 -18777 9812.6 -28590 -28590 4.0482 0.73875 -1.8143 6.7387e+05 2024-05-18 22:23:04,685 INFO [main.py:798]
{rank 0/64} MD step = 336800 step time: 00:00:00.371950 Performance: 31.440 ns/day 0.763 hours/ns 1.819 steps/s 2024-05-18 22:23:11,671 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 89.506 -18674 9810 -28484 -28484 4.0496 0.7421 -1.8148 6.7409e+05 2024-05-18 22:23:46,644 INFO [main.py:798]
{rank 0/64} MD step = 336900 step time: 00:00:00.355785 Performance: 31.442 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:23:53,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336900 67380 89.229 -18775 9779.6 -28554 -28554 4.0508 0.7461 -1.8167 6.7428e+05 2024-05-18 22:24:28,218 INFO [main.py:798]
{rank 0/64} MD step = 337000 step time: 00:00:00.346204 Performance: 31.444 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:24:34,577 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 89.387 -18619 9796.9 -28416 -28416 4.0528 0.7477 -1.8177 6.7452e+05 2024-05-18 22:25:11,414 INFO [main.py:798]
{rank 0/64} MD step = 337100 step time: 00:00:00.376735 Performance: 31.446 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:25:17,659 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 89.211 -19061 9777.7 -28838 -28838 4.053 0.75021 -1.8177 6.7466e+05 2024-05-18 22:25:54,106 INFO [main.py:798]
{rank 0/64} MD step = 337200 step time: 00:00:00.347210 Performance: 31.448 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:25:59,447 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 90.751 -18752 9946.4 -28699 -28699 4.0538 0.75427 -1.8181 6.7486e+05 2024-05-18 22:26:34,145 INFO [main.py:798]
{rank 0/64} MD step = 337300 step time: 00:00:00.356408 Performance: 31.451 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:26:40,547 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 91.275 -18622 10004 -28626 -28626 4.0541 0.75734 -1.8182 6.7508e+05 2024-05-18 22:27:16,812 INFO [main.py:798]
{rank 0/64} MD step = 337400 step time: 00:00:00.374718 Performance: 31.453 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:27:22,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337400 67480 90.614 -19011 9931.5 -28942 -28942 4.0545 0.75966 -1.8188 6.7521e+05 2024-05-18 22:27:57,460 INFO [main.py:798]
{rank 0/64} MD step = 337500 step time: 00:00:00.344522 Performance: 31.455 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:28:04,635 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 90.454 -18928 9913.9 -28842 -28842 4.0538 0.7614 -1.8192 6.754e+05 2024-05-18 22:28:39,213 INFO [main.py:798]
{rank 0/64} MD step = 337600 step time: 00:00:00.351085 Performance: 31.457 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:28:56,909 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 89.712 -19199 9832.5 -29032 -29032 4.0547 0.76594 -1.8202 6.7555e+05 2024-05-18 22:29:31,956 INFO [main.py:798]
{rank 0/64} MD step = 337700 step time: 00:00:00.357246 Performance: 31.458 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 22:29:39,268 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 90.932 -18829 9966.3 -28795 -28795 4.0554 0.76888 -1.821 6.7582e+05 2024-05-18 22:30:14,904 INFO [main.py:798]
{rank 0/64} MD step = 337800 step time: 00:00:00.334754 Performance: 31.460 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 22:30:22,843 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 90.168 -19045 9882.5 -28927 -28927 4.0552 0.77016 -1.8205 6.7597e+05 2024-05-18 22:30:57,490 INFO [main.py:798]
{rank 0/64} MD step = 337900 step time: 00:00:00.330380 Performance: 31.462 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 22:31:04,876 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 90.109 -18856 9876 -28732 -28732 4.0536 0.77246 -1.8212 6.7618e+05 2024-05-18 22:31:39,676 INFO [main.py:798]
{rank 0/64} MD step = 338000 step time: 00:00:00.340523 Performance: 31.464 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 22:31:46,040 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 90.737 -18985 9944.8 -28930 -28930 4.0537 0.77391 -1.8198 6.7636e+05 2024-05-18 22:32:20,971 INFO [main.py:798]
{rank 0/64} MD step = 338100 step time: 00:00:00.338652 Performance: 31.466 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 22:32:28,262 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 89.028 -18938 9757.6 -28696 -28696 4.0523 0.7774 -1.8212 6.7658e+05 2024-05-18 22:33:02,930 INFO [main.py:798]
{rank 0/64} MD step = 338200 step time: 00:00:00.337903 Performance: 31.469 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 22:33:09,391 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 90.536 -18740 9922.9 -28663 -28663 4.05 0.77918 -1.8203 6.7678e+05 2024-05-18 22:33:44,033 INFO [main.py:798]
{rank 0/64} MD step = 338300 step time: 00:00:00.350040 Performance: 31.471 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 22:33:57,329 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 89.856 -18946 9848.4 -28794 -28794 4.0513 0.78199 -1.8187 6.7699e+05 2024-05-18 22:34:31,733 INFO [main.py:798]
{rank 0/64} MD step = 338400 step time: 00:00:00.338547 Performance: 31.472 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 22:34:38,999 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 89.989 -18869 9863 -28731 -28731 4.0501 0.78459 -1.8181 6.7717e+05 2024-05-18 22:35:13,837 INFO [main.py:798]
{rank 0/64} MD step = 338500 step time: 00:00:00.351769 Performance: 31.474 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 22:35:20,483 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 91.11 -18780 9985.8 -28766 -28766 4.0504 0.78774 -1.8164 6.7741e+05 2024-05-18 22:35:54,973 INFO [main.py:798]
{rank 0/64} MD step = 338600 step time: 00:00:00.365494 Performance: 31.477 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 22:36:01,733 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 89.352 -18939 9793 -28732 -28732 4.0498 0.79003 -1.8169 6.7758e+05 2024-05-18 22:36:37,269 INFO [main.py:798]
{rank 0/64} MD step = 338700 step time: 00:00:00.346504 Performance: 31.479 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 22:36:44,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338700 67740 90.169 -19075 9882.6 -28958 -28958 4.0509 0.79087 -1.8177 6.7777e+05 2024-05-18 22:37:19,156 INFO [main.py:798]
{rank 0/64} MD step = 338800 step time: 00:00:00.351651 Performance: 31.481 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 22:37:26,136 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 90.535 -18966 9922.8 -28889 -28889 4.052 0.79149 -1.82 6.7795e+05 2024-05-18 22:38:00,853 INFO [main.py:798]
{rank 0/64} MD step = 338900 step time: 00:00:00.351093 Performance: 31.483 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 22:38:06,762 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 89.411 -18946 9799.5 -28745 -28745 4.0528 0.79334 -1.8196 6.7819e+05 2024-05-18 22:38:41,390 INFO [main.py:798]
{rank 0/64} MD step = 339000 step time: 00:00:00.354043 Performance: 31.486 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 22:38:47,598 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 89.203 -18922 9776.8 -28699 -28699 4.0517 0.79494 -1.8187 6.7837e+05 2024-05-18 22:39:22,625 INFO [main.py:798]
{rank 0/64} MD step = 339100 step time: 00:00:00.356811 Performance: 31.488 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 22:39:32,771 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 90.163 -18927 9882 -28809 -28809 4.0537 0.79761 -1.8192 6.7859e+05 2024-05-18 22:40:07,307 INFO [main.py:798]
{rank 0/64} MD step = 339200 step time: 00:00:00.347322 Performance: 31.490 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 22:40:13,095 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 90.47 -18950 9915.6 -28865 -28865 4.0533 0.79982 -1.8196 6.7881e+05 2024-05-18 22:40:48,093 INFO [main.py:798]
{rank 0/64} MD step = 339300 step time: 00:00:00.346689 Performance: 31.492 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 22:40:53,952 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 89.293 -19048 9786.6 -28835 -28835 4.0527 0.80392 -1.8179 6.7898e+05 2024-05-18 22:41:28,831 INFO [main.py:798]
{rank 0/64} MD step = 339400 step time: 00:00:00.338296 Performance: 31.494 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 22:41:37,132 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 89.813 -19117 9843.7 -28960 -28960 4.0513 0.80622 -1.8173 6.7917e+05 2024-05-18 22:42:11,962 INFO [main.py:798]
{rank 0/64} MD step = 339500 step time: 00:00:00.345935 Performance: 31.496 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 22:42:20,230 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 88.857 -19071 9738.8 -28810 -28810 4.0513 0.80805 -1.817 6.7942e+05 2024-05-18 22:42:54,926 INFO [main.py:798]
{rank 0/64} MD step = 339600 step time: 00:00:00.358509 Performance: 31.498 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 22:43:02,215 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 89.009 -19058 9755.5 -28813 -28813 4.0524 0.81086 -1.8158 6.7963e+05 2024-05-18 22:43:36,561 INFO [main.py:798]
{rank 0/64} MD step = 339700 step time: 00:00:00.350540 Performance: 31.501 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 22:43:43,011 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 88.785 -19064 9731 -28794 -28794 4.0527 0.81614 -1.8144 6.7982e+05 2024-05-18 22:44:18,022 INFO [main.py:798]
{rank 0/64} MD step = 339800 step time: 00:00:00.380137 Performance: 31.503 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 22:44:25,230 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 90.55 -18816 9924.4 -28741 -28741 4.0525 0.82107 -1.8162 6.8002e+05 2024-05-18 22:44:59,543 INFO [main.py:798]
{rank 0/64} MD step = 339900 step time: 00:00:00.380311 Performance: 31.505 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 22:45:06,484 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 89.102 -18999 9765.7 -28765 -28765 4.0542 0.82209 -1.8159 6.8023e+05 2024-05-18 22:45:41,323 INFO [main.py:798]
{rank 0/64} MD step = 340000 step time: 00:00:00.364991 Performance: 31.507 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 22:45:46,780 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 89.105 -19084 9766.1 -28850 -28850 4.0534 0.82408 -1.8168 6.8043e+05 2024-05-18 22:46:22,889 INFO [main.py:798]
{rank 0/64} MD step = 340100 step time: 00:00:00.339406 Performance: 31.510 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 22:46:36,969 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 89.271 -18917 9784.2 -28702 -28702 4.0534 0.82725 -1.8175 6.8065e+05 2024-05-18 22:47:11,708 INFO [main.py:798]
{rank 0/64} MD step = 340200 step time: 00:00:00.371029 Performance: 31.511 ns/day 0.762 hours/ns 1.824 steps/s 2024-05-18 22:47:21,517 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 88.684 -19125 9719.9 -28845 -28845 4.0539 0.83085 -1.819 6.8084e+05 2024-05-18 22:47:56,451 INFO [main.py:798]
{rank 0/64} MD step = 340300 step time: 00:00:00.342675 Performance: 31.512 ns/day 0.762 hours/ns 1.824 steps/s 2024-05-18 22:48:03,003 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 89.897 -18964 9852.8 -28817 -28817 4.054 0.83502 -1.8195 6.8102e+05 2024-05-18 22:48:36,318 INFO [main.py:798]
{rank 0/64} MD step = 340400 step time: 00:00:00.352028 Performance: 31.515 ns/day 0.762 hours/ns 1.824 steps/s 2024-05-18 22:48:48,482 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 90.824 -18925 9954.4 -28879 -28879 4.0535 0.83824 -1.8205 6.8125e+05 2024-05-18 22:49:22,984 INFO [main.py:798]
{rank 0/64} MD step = 340500 step time: 00:00:00.346981 Performance: 31.516 ns/day 0.762 hours/ns 1.824 steps/s 2024-05-18 22:49:29,623 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 87.533 -18921 9593.7 -28514 -28514 4.0519 0.84241 -1.8205 6.8144e+05 2024-05-18 22:50:03,715 INFO [main.py:798]
{rank 0/64} MD step = 340600 step time: 00:00:00.345220 Performance: 31.519 ns/day 0.761 hours/ns 1.824 steps/s 2024-05-18 22:50:09,525 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 89.877 -18992 9850.6 -28842 -28842 4.0511 0.84717 -1.82 6.8158e+05 2024-05-18 22:50:44,026 INFO [main.py:798]
{rank 0/64} MD step = 340700 step time: 00:00:00.334158 Performance: 31.521 ns/day 0.761 hours/ns 1.824 steps/s 2024-05-18 22:50:51,922 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 89.222 -19148 9778.8 -28927 -28927 4.0499 0.8492 -1.8183 6.8176e+05 2024-05-18 22:51:26,619 INFO [main.py:798]
{rank 0/64} MD step = 340800 step time: 00:00:00.334618 Performance: 31.523 ns/day 0.761 hours/ns 1.824 steps/s 2024-05-18 22:51:35,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340800 68160 90.92 -18833 9964.9 -28798 -28798 4.0506 0.85209 -1.8178 6.8196e+05 2024-05-18 22:52:09,798 INFO [main.py:798]
{rank 0/64} MD step = 340900 step time: 00:00:00.327604 Performance: 31.525 ns/day 0.761 hours/ns 1.824 steps/s 2024-05-18 22:52:18,552 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 89.536 -19071 9813.2 -28884 -28884 4.0504 0.8526 -1.8158 6.8217e+05 2024-05-18 22:52:53,094 INFO [main.py:798]
{rank 0/64} MD step = 341000 step time: 00:00:00.339477 Performance: 31.527 ns/day 0.761 hours/ns 1.824 steps/s 2024-05-18 22:52:58,548 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 90.938 -18878 9966.9 -28845 -28845 4.0512 0.85436 -1.8137 6.8236e+05 2024-05-18 22:53:35,400 INFO [main.py:798]
{rank 0/64} MD step = 341100 step time: 00:00:00.341562 Performance: 31.529 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 22:53:44,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341100 68220 88.861 -18946 9739.3 -28685 -28685 4.0506 0.85329 -1.8138 6.826e+05 2024-05-18 22:54:19,435 INFO [main.py:798]
{rank 0/64} MD step = 341200 step time: 00:00:00.334943 Performance: 31.531 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 22:54:31,058 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 89.886 -19027 9851.6 -28879 -28879 4.0496 0.85544 -1.8131 6.8279e+05 2024-05-18 22:55:05,638 INFO [main.py:798]
{rank 0/64} MD step = 341300 step time: 00:00:00.338768 Performance: 31.532 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 22:55:13,399 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 91.124 -18682 9987.3 -28669 -28669 4.0486 0.85858 -1.8132 6.8299e+05 2024-05-18 22:55:48,890 INFO [main.py:798]
{rank 0/64} MD step = 341400 step time: 00:00:00.335419 Performance: 31.534 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 22:55:54,964 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 91.866 -18755 10069 -28824 -28824 4.0488 0.86152 -1.8103 6.832e+05 2024-05-18 22:56:30,827 INFO [main.py:798]
{rank 0/64} MD step = 341500 step time: 00:00:00.327955 Performance: 31.537 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 22:56:36,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341500 68300 90.289 -18916 9895.7 -28812 -28812 4.0477 0.86475 -1.8099 6.8339e+05 2024-05-18 22:57:11,775 INFO [main.py:798]
{rank 0/64} MD step = 341600 step time: 00:00:00.330129 Performance: 31.539 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 22:57:18,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341600 68320 90.474 -18828 9916 -28744 -28744 4.0458 0.86976 -1.8092 6.8359e+05 2024-05-18 22:57:53,418 INFO [main.py:798]
{rank 0/64} MD step = 341700 step time: 00:00:00.329775 Performance: 31.541 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 22:58:00,148 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 90.263 -18842 9892.9 -28735 -28735 4.0444 0.87487 -1.8069 6.8379e+05 2024-05-18 22:58:36,737 INFO [main.py:798]
{rank 0/64} MD step = 341800 step time: 00:00:00.351411 Performance: 31.543 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 22:58:45,360 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 89.3 -18865 9787.4 -28652 -28652 4.0453 0.87663 -1.8037 6.8398e+05 2024-05-18 22:59:20,552 INFO [main.py:798]
{rank 0/64} MD step = 341900 step time: 00:00:00.333103 Performance: 31.545 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 22:59:28,474 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 90.765 -18844 9948 -28792 -28792 4.044 0.87881 -1.8033 6.842e+05 2024-05-18 23:00:03,195 INFO [main.py:798]
{rank 0/64} MD step = 342000 step time: 00:00:00.337931 Performance: 31.547 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 23:00:21,694 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 90.115 -18902 9876.7 -28778 -28778 4.0444 0.88184 -1.8037 6.8444e+05 2024-05-18 23:00:56,937 INFO [main.py:798]
{rank 0/64} MD step = 342100 step time: 00:00:00.363745 Performance: 31.547 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 23:01:05,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342100 68420 90.569 -18703 9926.5 -28630 -28630 4.0442 0.88272 -1.8047 6.8465e+05 2024-05-18 23:01:40,136 INFO [main.py:798]
{rank 0/64} MD step = 342200 step time: 00:00:00.343833 Performance: 31.549 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 23:01:47,945 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 88.835 -18881 9736.4 -28617 -28617 4.0427 0.88371 -1.8047 6.8487e+05 2024-05-18 23:02:22,551 INFO [main.py:798]
{rank 0/64} MD step = 342300 step time: 00:00:00.355516 Performance: 31.551 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 23:02:36,468 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 89.651 -18843 9825.9 -28669 -28669 4.0431 0.88763 -1.8046 6.8505e+05 2024-05-18 23:03:10,882 INFO [main.py:798]
{rank 0/64} MD step = 342400 step time: 00:00:00.353467 Performance: 31.552 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 23:03:18,306 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 89.006 -18782 9755.1 -28537 -28537 4.0441 0.88885 -1.8042 6.8529e+05 2024-05-18 23:03:52,824 INFO [main.py:798]
{rank 0/64} MD step = 342500 step time: 00:00:00.367412 Performance: 31.554 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 23:04:02,077 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 90.36 -18575 9903.6 -28478 -28478 4.0442 0.88877 -1.803 6.8549e+05 2024-05-18 23:04:37,676 INFO [main.py:798]
{rank 0/64} MD step = 342600 step time: 00:00:00.384307 Performance: 31.556 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 23:04:44,911 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 90.338 -18612 9901.1 -28513 -28513 4.0438 0.88959 -1.8036 6.8565e+05 2024-05-18 23:05:20,150 INFO [main.py:798]
{rank 0/64} MD step = 342700 step time: 00:00:00.372904 Performance: 31.558 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 23:05:25,978 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 91.03 -18794 9976.9 -28771 -28771 4.0426 0.89127 -1.804 6.8581e+05 2024-05-18 23:06:02,059 INFO [main.py:798]
{rank 0/64} MD step = 342800 step time: 00:00:00.378305 Performance: 31.560 ns/day 0.760 hours/ns 1.826 steps/s 2024-05-18 23:06:09,559 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 89.958 -18906 9859.5 -28766 -28766 4.0418 0.8903 -1.8032 6.8603e+05 2024-05-18 23:06:44,636 INFO [main.py:798]
{rank 0/64} MD step = 342900 step time: 00:00:00.373733 Performance: 31.562 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:06:51,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342900 68580 88.495 -19085 9699.1 -28784 -28784 4.0427 0.8902 -1.8016 6.8625e+05 2024-05-18 23:07:25,640 INFO [main.py:798]
{rank 0/64} MD step = 343000 step time: 00:00:00.359763 Performance: 31.565 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:07:36,417 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 90.414 -18789 9909.4 -28698 -28698 4.0415 0.89102 -1.8026 6.8645e+05 2024-05-18 23:08:10,315 INFO [main.py:798]
{rank 0/64} MD step = 343100 step time: 00:00:00.330911 Performance: 31.566 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:08:19,666 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 90.364 -18786 9904 -28690 -28690 4.0423 0.89144 -1.8026 6.8665e+05 2024-05-18 23:08:54,221 INFO [main.py:798]
{rank 0/64} MD step = 343200 step time: 00:00:00.366016 Performance: 31.568 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:09:01,191 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 90.851 -18847 9957.4 -28805 -28805 4.043 0.88954 -1.8039 6.8684e+05 2024-05-18 23:09:35,757 INFO [main.py:798]
{rank 0/64} MD step = 343300 step time: 00:00:00.337946 Performance: 31.570 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:09:42,810 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 89.361 -19079 9794.1 -28873 -28873 4.0451 0.88752 -1.8049 6.8705e+05 2024-05-18 23:10:18,853 INFO [main.py:798]
{rank 0/64} MD step = 343400 step time: 00:00:00.351270 Performance: 31.572 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:10:24,902 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 89.159 -18992 9771.9 -28764 -28764 4.0481 0.8879 -1.8067 6.872e+05 2024-05-18 23:10:59,274 INFO [main.py:798]
{rank 0/64} MD step = 343500 step time: 00:00:00.346917 Performance: 31.575 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:11:07,501 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 89.614 -19167 9821.8 -28988 -28988 4.0511 0.8867 -1.8056 6.874e+05 2024-05-18 23:11:42,570 INFO [main.py:798]
{rank 0/64} MD step = 343600 step time: 00:00:00.353874 Performance: 31.577 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:11:48,534 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 90.823 -19164 9954.3 -29118 -29118 4.0518 0.88778 -1.8057 6.876e+05 2024-05-18 23:12:23,023 INFO [main.py:798]
{rank 0/64} MD step = 343700 step time: 00:00:00.354746 Performance: 31.579 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 23:12:30,596 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 88.496 -19251 9699.2 -28950 -28950 4.0526 0.89098 -1.8059 6.878e+05 2024-05-18 23:13:05,530 INFO [main.py:798]
{rank 0/64} MD step = 343800 step time: 00:00:00.350854 Performance: 31.581 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:13:11,602 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 91.212 -19185 9996.9 -29182 -29182 4.0517 0.89209 -1.8056 6.8798e+05 2024-05-18 23:13:45,997 INFO [main.py:798]
{rank 0/64} MD step = 343900 step time: 00:00:00.332497 Performance: 31.583 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:13:53,175 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 90.713 -19077 9942.3 -29019 -29019 4.0539 0.8917 -1.8037 6.8819e+05 2024-05-18 23:14:27,705 INFO [main.py:798]
{rank 0/64} MD step = 344000 step time: 00:00:00.356007 Performance: 31.586 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:14:33,962 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 89.524 -19300 9812 -29112 -29112 4.0566 0.89075 -1.8027 6.884e+05 2024-05-18 23:15:08,538 INFO [main.py:798]
{rank 0/64} MD step = 344100 step time: 00:00:00.330870 Performance: 31.588 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:15:18,759 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 89.482 -19320 9807.4 -29128 -29128 4.0595 0.89007 -1.8015 6.8859e+05 2024-05-18 23:15:54,182 INFO [main.py:798]
{rank 0/64} MD step = 344200 step time: 00:00:00.356664 Performance: 31.589 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:16:00,819 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 89.303 -19205 9787.7 -28992 -28992 4.061 0.88874 -1.8009 6.8883e+05 2024-05-18 23:16:37,383 INFO [main.py:798]
{rank 0/64} MD step = 344300 step time: 00:00:00.342400 Performance: 31.591 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:16:44,413 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 90.088 -19144 9873.8 -29018 -29018 4.0634 0.88849 -1.7997 6.8901e+05 2024-05-18 23:17:20,985 INFO [main.py:798]
{rank 0/64} MD step = 344400 step time: 00:00:00.346820 Performance: 31.593 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:17:33,622 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 91.258 -19062 10002 -29063 -29063 4.0665 0.8874 -1.7985 6.892e+05 2024-05-18 23:18:08,541 INFO [main.py:798]
{rank 0/64} MD step = 344500 step time: 00:00:00.375302 Performance: 31.594 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:18:16,195 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 90.634 -19098 9933.6 -29032 -29032 4.0664 0.88896 -1.7989 6.8941e+05 2024-05-18 23:18:52,489 INFO [main.py:798]
{rank 0/64} MD step = 344600 step time: 00:00:00.358206 Performance: 31.596 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 23:19:02,627 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 90.171 -19103 9882.8 -28986 -28986 4.0675 0.89098 -1.7979 6.8963e+05 2024-05-18 23:19:37,412 INFO [main.py:798]
{rank 0/64} MD step = 344700 step time: 00:00:00.365836 Performance: 31.598 ns/day 0.760 hours/ns 1.829 steps/s 2024-05-18 23:19:45,973 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 89.026 -19276 9757.4 -29033 -29033 4.0698 0.89302 -1.7976 6.8985e+05 2024-05-18 23:20:21,026 INFO [main.py:798]
{rank 0/64} MD step = 344800 step time: 00:00:00.344343 Performance: 31.600 ns/day 0.760 hours/ns 1.829 steps/s 2024-05-18 23:20:26,801 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 89.407 -19059 9799.1 -28858 -28858 4.0721 0.89301 -1.7975 6.9006e+05 2024-05-18 23:21:01,747 INFO [main.py:798]
{rank 0/64} MD step = 344900 step time: 00:00:00.342522 Performance: 31.602 ns/day 0.759 hours/ns 1.829 steps/s 2024-05-18 23:21:08,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344900 68980 91.199 -19172 9995.5 -29167 -29167 4.074 0.89552 -1.7987 6.9026e+05 2024-05-18 23:21:42,784 INFO [main.py:798]
{rank 0/64} MD step = 345000 step time: 00:00:00.353688 Performance: 31.604 ns/day 0.759 hours/ns 1.829 steps/s 2024-05-18 23:21:49,419 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 90.458 -19044 9914.3 -28959 -28959 4.0765 0.89605 -1.7992 6.9052e+05 2024-05-18 23:22:23,519 INFO [main.py:798]
{rank 0/64} MD step = 345100 step time: 00:00:00.338837 Performance: 31.607 ns/day 0.759 hours/ns 1.829 steps/s 2024-05-18 23:22:29,767 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 90.164 -18992 9882.1 -28875 -28875 4.0793 0.89535 -1.7988 6.9075e+05 2024-05-18 23:23:04,086 INFO [main.py:798]
{rank 0/64} MD step = 345200 step time: 00:00:00.329678 Performance: 31.609 ns/day 0.759 hours/ns 1.829 steps/s 2024-05-18 23:23:10,850 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 89.032 -19227 9758 -28985 -28985 4.0829 0.8934 -1.8002 6.9091e+05 2024-05-18 23:23:46,080 INFO [main.py:798]
{rank 0/64} MD step = 345300 step time: 00:00:00.332393 Performance: 31.611 ns/day 0.759 hours/ns 1.829 steps/s 2024-05-18 23:23:52,259 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 90.18 -19012 9883.9 -28895 -28895 4.0866 0.893 -1.7992 6.9112e+05 2024-05-18 23:24:27,202 INFO [main.py:798]
{rank 0/64} MD step = 345400 step time: 00:00:00.340266 Performance: 31.613 ns/day 0.759 hours/ns 1.829 steps/s 2024-05-18 23:24:34,666 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 90.874 -18848 9959.9 -28808 -28808 4.0882 0.89226 -1.7998 6.9135e+05 2024-05-18 23:25:09,361 INFO [main.py:798]
{rank 0/64} MD step = 345500 step time: 00:00:00.329883 Performance: 31.616 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 23:25:13,812 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 89.311 -19122 9788.6 -28911 -28911 4.0875 0.89169 -1.799 6.9152e+05 2024-05-18 23:25:50,420 INFO [main.py:798]
{rank 0/64} MD step = 345600 step time: 00:00:00.329485 Performance: 31.618 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 23:25:56,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345600 69120 90.077 -18985 9872.6 -28858 -28858 4.0875 0.89253 -1.7979 6.9174e+05 2024-05-18 23:26:30,787 INFO [main.py:798]
{rank 0/64} MD step = 345700 step time: 00:00:00.329440 Performance: 31.620 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 23:26:36,191 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 91.564 -18683 10036 -28719 -28719 4.0876 0.89194 -1.7971 6.9195e+05 2024-05-18 23:27:10,672 INFO [main.py:798]
{rank 0/64} MD step = 345800 step time: 00:00:00.341554 Performance: 31.623 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 23:27:16,044 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 89.789 -18789 9841 -28630 -28630 4.0905 0.89191 -1.7967 6.9214e+05 2024-05-18 23:27:50,890 INFO [main.py:798]
{rank 0/64} MD step = 345900 step time: 00:00:00.356350 Performance: 31.625 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 23:27:56,906 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 90.362 -18884 9903.7 -28788 -28788 4.0929 0.89046 -1.797 6.9235e+05 2024-05-18 23:28:32,468 INFO [main.py:798]
{rank 0/64} MD step = 346000 step time: 00:00:00.354816 Performance: 31.627 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 23:28:38,369 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 89.855 -18840 9848.2 -28688 -28688 4.0959 0.88991 -1.7996 6.9255e+05 2024-05-18 23:29:13,354 INFO [main.py:798]
{rank 0/64} MD step = 346100 step time: 00:00:00.368543 Performance: 31.630 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 23:29:21,787 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 89.772 -18869 9839.2 -28708 -28708 4.099 0.89144 -1.8003 6.9275e+05 2024-05-18 23:29:56,396 INFO [main.py:798]
{rank 0/64} MD step = 346200 step time: 00:00:00.350069 Performance: 31.632 ns/day 0.759 hours/ns 1.831 steps/s 2024-05-18 23:30:02,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346200 69240 89.869 -18727 9849.8 -28577 -28577 4.0996 0.89197 -1.7993 6.9296e+05 2024-05-18 23:30:37,243 INFO [main.py:798]
{rank 0/64} MD step = 346300 step time: 00:00:00.365305 Performance: 31.634 ns/day 0.759 hours/ns 1.831 steps/s 2024-05-18 23:30:48,894 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 89.681 -19017 9829.1 -28847 -28847 4.102 0.89244 -1.7999 6.9313e+05 2024-05-18 23:31:24,731 INFO [main.py:798]
{rank 0/64} MD step = 346400 step time: 00:00:00.341057 Performance: 31.635 ns/day 0.759 hours/ns 1.831 steps/s 2024-05-18 23:31:30,786 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 90.643 -18749 9934.6 -28684 -28684 4.1044 0.8923 -1.8007 6.9336e+05 2024-05-18 23:32:05,650 INFO [main.py:798]
{rank 0/64} MD step = 346500 step time: 00:00:00.336263 Performance: 31.637 ns/day 0.759 hours/ns 1.831 steps/s 2024-05-18 23:32:11,027 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 88.411 -19214 9689.9 -28904 -28904 4.1036 0.89447 -1.8015 6.9356e+05 2024-05-18 23:32:45,567 INFO [main.py:798]
{rank 0/64} MD step = 346600 step time: 00:00:00.357948 Performance: 31.640 ns/day 0.759 hours/ns 1.831 steps/s 2024-05-18 23:32:51,290 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 90.779 -18759 9949.5 -28709 -28709 4.1053 0.89558 -1.8023 6.9378e+05 2024-05-18 23:33:26,205 INFO [main.py:798]
{rank 0/64} MD step = 346700 step time: 00:00:00.356939 Performance: 31.642 ns/day 0.758 hours/ns 1.831 steps/s 2024-05-18 23:33:30,924 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 90.059 -18838 9870.6 -28709 -28709 4.1056 0.89556 -1.8016 6.9396e+05 2024-05-18 23:34:06,028 INFO [main.py:798]
{rank 0/64} MD step = 346800 step time: 00:00:00.354993 Performance: 31.645 ns/day 0.758 hours/ns 1.831 steps/s 2024-05-18 23:34:12,675 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 88.266 -18970 9674.1 -28644 -28644 4.1067 0.89556 -1.8039 6.9416e+05 2024-05-18 23:34:47,394 INFO [main.py:798]
{rank 0/64} MD step = 346900 step time: 00:00:00.336939 Performance: 31.647 ns/day 0.758 hours/ns 1.831 steps/s 2024-05-18 23:34:52,988 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 89.798 -19033 9841.9 -28875 -28875 4.1078 0.89744 -1.8036 6.9435e+05 2024-05-18 23:35:30,111 INFO [main.py:798]
{rank 0/64} MD step = 347000 step time: 00:00:00.374865 Performance: 31.649 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 23:35:36,617 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 89.732 -19237 9834.7 -29071 -29071 4.1095 0.90086 -1.8039 6.9451e+05 2024-05-18 23:36:10,972 INFO [main.py:798]
{rank 0/64} MD step = 347100 step time: 00:00:00.357640 Performance: 31.651 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 23:36:17,873 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 90.985 -19075 9972.1 -29047 -29047 4.1131 0.90387 -1.8046 6.9473e+05 2024-05-18 23:36:52,254 INFO [main.py:798]
{rank 0/64} MD step = 347200 step time: 00:00:00.349802 Performance: 31.653 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 23:36:59,047 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 89.641 -19068 9824.7 -28893 -28893 4.1158 0.90406 -1.803 6.9493e+05 2024-05-18 23:37:33,438 INFO [main.py:798]
{rank 0/64} MD step = 347300 step time: 00:00:00.352462 Performance: 31.656 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 23:37:40,612 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 90.132 -18987 9878.5 -28866 -28866 4.1159 0.9026 -1.8022 6.9515e+05 2024-05-18 23:38:15,539 INFO [main.py:798]
{rank 0/64} MD step = 347400 step time: 00:00:00.344928 Performance: 31.658 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 23:38:22,862 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 90.116 -18994 9876.8 -28871 -28871 4.1165 0.90375 -1.8023 6.9536e+05 2024-05-18 23:38:57,218 INFO [main.py:798]
{rank 0/64} MD step = 347500 step time: 00:00:00.349890 Performance: 31.660 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 23:39:04,741 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 90.084 -18996 9873.3 -28870 -28870 4.1189 0.90535 -1.8006 6.9558e+05 2024-05-18 23:39:41,496 INFO [main.py:798]
{rank 0/64} MD step = 347600 step time: 00:00:00.377148 Performance: 31.661 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 23:39:47,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347600 69520 91.292 -18885 10006 -28890 -28890 4.1202 0.90752 -1.801 6.9577e+05 2024-05-18 23:40:21,840 INFO [main.py:798]
{rank 0/64} MD step = 347700 step time: 00:00:00.353773 Performance: 31.664 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 23:40:26,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 69540 89.767 -19034 9838.5 -28872 -28872 4.1223 0.90858 -1.8027 6.9593e+05 2024-05-18 23:41:02,371 INFO [main.py:798]
{rank 0/64} MD step = 347800 step time: 00:00:00.341059 Performance: 31.666 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 23:41:09,451 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 89.476 -18828 9806.7 -28634 -28634 4.1256 0.91142 -1.8017 6.9619e+05 2024-05-18 23:41:43,884 INFO [main.py:798]
{rank 0/64} MD step = 347900 step time: 00:00:00.353281 Performance: 31.668 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 23:41:50,542 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 90.198 -18855 9885.8 -28740 -28740 4.1284 0.91478 -1.8024 6.9639e+05 2024-05-18 23:42:26,235 INFO [main.py:798]
{rank 0/64} MD step = 348000 step time: 00:00:00.373867 Performance: 31.670 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 23:42:33,447 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 89.32 -18996 9789.5 -28785 -28785 4.1282 0.91642 -1.802 6.9657e+05 2024-05-18 23:43:08,116 INFO [main.py:798]
{rank 0/64} MD step = 348100 step time: 00:00:00.364779 Performance: 31.673 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 23:43:13,977 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 89.882 -18837 9851.2 -28688 -28688 4.1296 0.91918 -1.8028 6.968e+05 2024-05-18 23:43:49,320 INFO [main.py:798]
{rank 0/64} MD step = 348200 step time: 00:00:00.336533 Performance: 31.675 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 23:43:55,159 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 89.815 -18943 9843.8 -28787 -28787 4.1312 0.92163 -1.8013 6.9698e+05 2024-05-18 23:44:29,920 INFO [main.py:798]
{rank 0/64} MD step = 348300 step time: 00:00:00.353030 Performance: 31.677 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 23:44:38,008 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 90.033 -18831 9867.7 -28699 -28699 4.1332 0.9246 -1.8016 6.9716e+05 2024-05-18 23:45:12,896 INFO [main.py:798]
{rank 0/64} MD step = 348400 step time: 00:00:00.337964 Performance: 31.679 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 23:45:20,269 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 90.477 -18819 9916.4 -28735 -28735 4.136 0.92656 -1.8012 6.9733e+05 2024-05-18 23:45:56,442 INFO [main.py:798]
{rank 0/64} MD step = 348500 step time: 00:00:00.376928 Performance: 31.681 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 23:46:03,902 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 89.739 -19048 9835.5 -28883 -28883 4.1369 0.93217 -1.8005 6.9754e+05 2024-05-18 23:46:38,524 INFO [main.py:798]
{rank 0/64} MD step = 348600 step time: 00:00:00.352596 Performance: 31.683 ns/day 0.758 hours/ns 1.834 steps/s 2024-05-18 23:46:45,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348600 69720 89.513 -19168 9810.7 -28979 -28979 4.1374 0.93582 -1.8007 6.9773e+05 2024-05-18 23:47:20,450 INFO [main.py:798]
{rank 0/64} MD step = 348700 step time: 00:00:00.354543 Performance: 31.685 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 23:47:32,183 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 88.801 -18876 9732.7 -28608 -28608 4.1372 0.93801 -1.8012 6.9801e+05 2024-05-18 23:48:08,088 INFO [main.py:798]
{rank 0/64} MD step = 348800 step time: 00:00:00.354218 Performance: 31.686 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 23:48:16,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348800 69760 88.909 -18872 9744.6 -28616 -28616 4.1378 0.94173 -1.7996 6.982e+05 2024-05-18 23:48:51,395 INFO [main.py:798]
{rank 0/64} MD step = 348900 step time: 00:00:00.357541 Performance: 31.688 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 23:48:57,227 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 89.446 -18972 9803.4 -28776 -28776 4.1396 0.94539 -1.8 6.9836e+05 2024-05-18 23:49:31,662 INFO [main.py:798]
{rank 0/64} MD step = 349000 step time: 00:00:00.353770 Performance: 31.690 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 23:49:38,904 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 90.673 -18709 9937.8 -28647 -28647 4.1425 0.94883 -1.8023 6.9858e+05 2024-05-18 23:50:12,973 INFO [main.py:798]
{rank 0/64} MD step = 349100 step time: 00:00:00.355473 Performance: 31.693 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 23:50:18,583 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 90.269 -18510 9893.6 -28404 -28404 4.1455 0.95121 -1.8027 6.9882e+05 2024-05-18 23:50:54,828 INFO [main.py:798]
{rank 0/64} MD step = 349200 step time: 00:00:00.346026 Performance: 31.695 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 23:51:01,506 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 90.833 -18668 9955.4 -28623 -28623 4.1471 0.95659 -1.8042 6.9897e+05 2024-05-18 23:51:36,032 INFO [main.py:798]
{rank 0/64} MD step = 349300 step time: 00:00:00.360055 Performance: 31.697 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 23:51:42,266 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 90.999 -18401 9973.6 -28375 -28375 4.15 0.95994 -1.8042 6.9921e+05 2024-05-18 23:52:17,659 INFO [main.py:798]
{rank 0/64} MD step = 349400 step time: 00:00:00.355459 Performance: 31.699 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 23:52:26,302 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 91.14 -18736 9989.1 -28725 -28725 4.1502 0.96401 -1.8053 6.9937e+05 2024-05-18 23:53:00,727 INFO [main.py:798]
{rank 0/64} MD step = 349500 step time: 00:00:00.362654 Performance: 31.701 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 23:53:07,900 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 89.967 -18858 9860.5 -28718 -28718 4.1502 0.96854 -1.8054 6.9957e+05 2024-05-18 23:53:42,044 INFO [main.py:798]
{rank 0/64} MD step = 349600 step time: 00:00:00.358809 Performance: 31.703 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 23:53:49,099 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 89.414 -18715 9799.9 -28515 -28515 4.1491 0.97217 -1.8064 6.9978e+05 2024-05-18 23:54:23,742 INFO [main.py:798]
{rank 0/64} MD step = 349700 step time: 00:00:00.387701 Performance: 31.705 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 23:54:31,054 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 90.098 -18681 9874.9 -28556 -28556 4.1501 0.97482 -1.8053 6.9995e+05 2024-05-18 23:55:06,180 INFO [main.py:798]
{rank 0/64} MD step = 349800 step time: 00:00:00.356699 Performance: 31.707 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 23:55:13,941 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 89.042 -18688 9759.1 -28447 -28447 4.1511 0.97866 -1.8056 7.0017e+05 2024-05-18 23:55:48,475 INFO [main.py:798]
{rank 0/64} MD step = 349900 step time: 00:00:00.326693 Performance: 31.709 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 23:55:55,739 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 90.076 -18776 9872.4 -28648 -28648 4.1527 0.98311 -1.8071 7.0039e+05 2024-05-18 23:56:30,594 INFO [main.py:798]
{rank 0/64} MD step = 350000 step time: 00:00:00.333921 Performance: 31.711 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 23:56:37,734 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 89.541 -18712 9813.9 -28526 -28526 4.1559 0.98476 -1.8085 7.0058e+05 2024-05-18 23:57:11,889 INFO [main.py:798]
{rank 0/64} MD step = 350100 step time: 00:00:00.348617 Performance: 31.714 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 23:57:18,936 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 88.506 -18894 9700.4 -28595 -28595 4.1593 0.98737 -1.8074 7.008e+05 2024-05-18 23:57:54,612 INFO [main.py:798]
{rank 0/64} MD step = 350200 step time: 00:00:00.389636 Performance: 31.716 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 23:58:02,631 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 90.22 -18514 9888.2 -28402 -28402 4.1619 0.98914 -1.8076 7.0103e+05 2024-05-18 23:58:37,053 INFO [main.py:798]
{rank 0/64} MD step = 350300 step time: 00:00:00.356950 Performance: 31.718 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-18 23:58:44,019 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 88.64 -19152 9715.1 -28867 -28867 4.1638 0.99182 -1.8065 7.0119e+05 2024-05-18 23:59:18,612 INFO [main.py:798]
{rank 0/64} MD step = 350400 step time: 00:00:00.354783 Performance: 31.720 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-18 23:59:27,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350400 70080 91.189 -18721 9994.4 -28715 -28715 4.1653 0.99701 -1.8069 7.0139e+05 2024-05-19 00:00:02,854 INFO [main.py:798]
{rank 0/64} MD step = 350500 step time: 00:00:00.354363 Performance: 31.721 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-19 00:00:10,032 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 91.085 -18847 9983 -28830 -28830 4.1671 0.99918 -1.8052 7.016e+05 2024-05-19 00:00:44,761 INFO [main.py:798]
{rank 0/64} MD step = 350600 step time: 00:00:00.356759 Performance: 31.723 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-19 00:01:34,802 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 89.73 -18973 9834.6 -28808 -28808 4.168 0.99981 -1.8052 7.0182e+05 2024-05-19 00:02:09,469 INFO [main.py:798]
{rank 0/64} MD step = 350700 step time: 00:00:00.358743 Performance: 31.718 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-19 00:02:15,175 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 89.793 -18863 9841.4 -28704 -28704 4.1688 1.003 -1.8048 7.0203e+05 2024-05-19 00:02:49,363 INFO [main.py:798]
{rank 0/64} MD step = 350800 step time: 00:00:00.345112 Performance: 31.721 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-19 00:02:57,869 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 90.589 -18784 9928.6 -28713 -28713 4.1684 1.0084 -1.8042 7.0221e+05 2024-05-19 00:03:32,799 INFO [main.py:798]
{rank 0/64} MD step = 350900 step time: 00:00:00.359824 Performance: 31.723 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-19 00:03:38,522 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 89.751 -18945 9836.8 -28782 -28782 4.1695 1.0115 -1.8051 7.0243e+05 2024-05-19 00:04:12,711 INFO [main.py:798]
{rank 0/64} MD step = 351000 step time: 00:00:00.342689 Performance: 31.725 ns/day 0.756 hours/ns 1.836 steps/s 2024-05-19 00:04:27,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351000 70200 89.698 -19160 9831 -28991 -28991 4.1715 1.017 -1.8069 7.0263e+05 2024-05-19 00:05:02,263 INFO [main.py:798]
{rank 0/64} MD step = 351100 step time: 00:00:00.356528 Performance: 31.726 ns/day 0.756 hours/ns 1.836 steps/s 2024-05-19 00:05:11,049 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 89.493 -18946 9808.5 -28754 -28754 4.1732 1.0204 -1.8083 7.0283e+05 2024-05-19 00:05:45,881 INFO [main.py:798]
{rank 0/64} MD step = 351200 step time: 00:00:00.351928 Performance: 31.728 ns/day 0.756 hours/ns 1.836 steps/s 2024-05-19 00:05:51,968 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 90.227 -19017 9889 -28906 -28906 4.1739 1.0232 -1.8086 7.0299e+05 2024-05-19 00:06:26,504 INFO [main.py:798]
{rank 0/64} MD step = 351300 step time: 00:00:00.350406 Performance: 31.730 ns/day 0.756 hours/ns 1.836 steps/s 2024-05-19 00:06:31,705 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 88.473 -19266 9696.7 -28962 -28962 4.1741 1.0252 -1.8075 7.0321e+05 2024-05-19 00:07:07,404 INFO [main.py:798]
{rank 0/64} MD step = 351400 step time: 00:00:00.352280 Performance: 31.732 ns/day 0.756 hours/ns 1.836 steps/s 2024-05-19 00:07:16,165 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 90.873 -18974 9959.8 -28933 -28933 4.1748 1.0291 -1.8063 7.034e+05 2024-05-19 00:07:50,452 INFO [main.py:798]
{rank 0/64} MD step = 351500 step time: 00:00:00.359931 Performance: 31.734 ns/day 0.756 hours/ns 1.836 steps/s 2024-05-19 00:07:57,749 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 90.541 -18955 9923.4 -28878 -28878 4.1763 1.0352 -1.8052 7.0357e+05 2024-05-19 00:08:32,260 INFO [main.py:798]
{rank 0/64} MD step = 351600 step time: 00:00:00.339218 Performance: 31.736 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-19 00:08:38,400 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 88.093 -19370 9655.1 -29025 -29025 4.1771 1.0391 -1.8038 7.0375e+05 2024-05-19 00:09:13,176 INFO [main.py:798]
{rank 0/64} MD step = 351700 step time: 00:00:00.352835 Performance: 31.739 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-19 00:09:19,298 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 90.038 -19062 9868.3 -28931 -28931 4.1783 1.0434 -1.8047 7.0393e+05 2024-05-19 00:09:53,721 INFO [main.py:798]
{rank 0/64} MD step = 351800 step time: 00:00:00.351881 Performance: 31.741 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-19 00:09:59,785 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 88.662 -19272 9717.5 -28990 -28990 4.1785 1.0479 -1.8033 7.0411e+05 2024-05-19 00:10:35,756 INFO [main.py:798]
{rank 0/64} MD step = 351900 step time: 00:00:00.387827 Performance: 31.743 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-19 00:10:43,614 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 89.419 -19239 9800.5 -29039 -29039 4.178 1.0522 -1.8044 7.0435e+05 2024-05-19 00:11:18,772 INFO [main.py:798]
{rank 0/64} MD step = 352000 step time: 00:00:00.357067 Performance: 31.745 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-19 00:11:25,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352000 70400 88.253 -19260 9672.6 -28933 -28933 4.1772 1.0556 -1.8044 7.0456e+05 2024-05-19 00:12:00,287 INFO [main.py:798]
{rank 0/64} MD step = 352100 step time: 00:00:00.341454 Performance: 31.747 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-19 00:12:06,353 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 90.177 -18911 9883.6 -28795 -28795 4.1775 1.0595 -1.8024 7.0478e+05 2024-05-19 00:12:40,628 INFO [main.py:798]
{rank 0/64} MD step = 352200 step time: 00:00:00.347475 Performance: 31.749 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-19 00:12:46,603 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 89.558 -19273 9815.6 -29089 -29089 4.1772 1.0631 -1.8012 7.0501e+05 2024-05-19 00:13:21,089 INFO [main.py:798]
{rank 0/64} MD step = 352300 step time: 00:00:00.336101 Performance: 31.752 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-19 00:13:26,840 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 90.461 -19005 9914.7 -28920 -28920 4.1779 1.0652 -1.8025 7.0521e+05 2024-05-19 00:14:01,953 INFO [main.py:798]
{rank 0/64} MD step = 352400 step time: 00:00:00.336358 Performance: 31.754 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-19 00:14:08,055 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 90.655 -19279 9936 -29215 -29215 4.1763 1.0684 -1.8037 7.0541e+05 2024-05-19 00:14:42,386 INFO [main.py:798]
{rank 0/64} MD step = 352500 step time: 00:00:00.352952 Performance: 31.756 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-19 00:14:48,853 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 90.789 -18968 9950.6 -28919 -28919 4.1743 1.0738 -1.8048 7.0563e+05 2024-05-19 00:15:22,977 INFO [main.py:798]
{rank 0/64} MD step = 352600 step time: 00:00:00.362424 Performance: 31.758 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-19 00:15:29,962 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 90.096 -19073 9874.7 -28948 -28948 4.1756 1.0798 -1.8047 7.0583e+05 2024-05-19 00:16:05,423 INFO [main.py:798]
{rank 0/64} MD step = 352700 step time: 00:00:00.356650 Performance: 31.760 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-19 00:16:12,794 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 89.518 -19249 9811.2 -29060 -29060 4.1753 1.0828 -1.8037 7.0603e+05 2024-05-19 00:16:47,153 INFO [main.py:798]
{rank 0/64} MD step = 352800 step time: 00:00:00.336010 Performance: 31.762 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-19 00:16:54,866 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 89.782 -19070 9840.2 -28910 -28910 4.1776 1.0858 -1.8054 7.0626e+05 2024-05-19 00:17:29,374 INFO [main.py:798]
{rank 0/64} MD step = 352900 step time: 00:00:00.332503 Performance: 31.765 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-19 00:17:36,520 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 88.548 -19238 9705 -28943 -28943 4.1806 1.0901 -1.8058 7.0646e+05 2024-05-19 00:18:11,633 INFO [main.py:798]
{rank 0/64} MD step = 353000 step time: 00:00:00.337601 Performance: 31.767 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-19 00:18:19,813 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 89.583 -19068 9818.4 -28886 -28886 4.182 1.0945 -1.8061 7.0665e+05 2024-05-19 00:18:53,943 INFO [main.py:798]
{rank 0/64} MD step = 353100 step time: 00:00:00.339878 Performance: 31.769 ns/day 0.755 hours/ns 1.838 steps/s 2024-05-19 00:19:00,971 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 89.99 -19185 9863 -29048 -29048 4.1811 1.1006 -1.8065 7.0685e+05 2024-05-19 00:19:35,469 INFO [main.py:798]
{rank 0/64} MD step = 353200 step time: 00:00:00.334837 Performance: 31.771 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-19 00:19:40,786 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 88.991 -19340 9753.5 -29094 -29094 4.1806 1.1055 -1.807 7.07e+05 2024-05-19 00:20:17,324 INFO [main.py:798]
{rank 0/64} MD step = 353300 step time: 00:00:00.328592 Performance: 31.773 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-19 00:20:24,377 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 88.984 -19172 9752.8 -28925 -28925 4.1797 1.1095 -1.8064 7.0718e+05 2024-05-19 00:20:59,088 INFO [main.py:798]
{rank 0/64} MD step = 353400 step time: 00:00:00.338890 Performance: 31.775 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-19 00:21:05,376 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 90.192 -19043 9885.1 -28928 -28928 4.1795 1.1131 -1.8068 7.0744e+05 2024-05-19 00:21:39,891 INFO [main.py:798]
{rank 0/64} MD step = 353500 step time: 00:00:00.332064 Performance: 31.777 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-19 00:21:45,810 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 89.243 -19090 9781.1 -28871 -28871 4.1782 1.1169 -1.8067 7.0764e+05 2024-05-19 00:22:20,354 INFO [main.py:798]
{rank 0/64} MD step = 353600 step time: 00:00:00.343358 Performance: 31.779 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-19 00:22:27,219 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 91.195 -18878 9995 -28873 -28873 4.1773 1.119 -1.8063 7.0783e+05 2024-05-19 00:23:01,899 INFO [main.py:798]
{rank 0/64} MD step = 353700 step time: 00:00:00.334496 Performance: 31.781 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-19 00:23:08,057 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 90.274 -19009 9894.1 -28903 -28903 4.1767 1.1218 -1.8066 7.0804e+05 2024-05-19 00:23:42,724 INFO [main.py:798]
{rank 0/64} MD step = 353800 step time: 00:00:00.335503 Performance: 31.784 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-19 00:23:49,379 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 89.564 -19371 9816.3 -29187 -29187 4.1782 1.1253 -1.8054 7.0819e+05 2024-05-19 00:24:23,980 INFO [main.py:798]
{rank 0/64} MD step = 353900 step time: 00:00:00.338849 Performance: 31.786 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-19 00:24:34,838 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 88.859 -19208 9739 -28947 -28947 4.1798 1.1285 -1.8063 7.0842e+05 2024-05-19 00:25:09,335 INFO [main.py:798]
{rank 0/64} MD step = 354000 step time: 00:00:00.329703 Performance: 31.787 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:25:16,347 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 88.651 -19044 9716.2 -28761 -28761 4.1813 1.1334 -1.806 7.0868e+05 2024-05-19 00:25:50,637 INFO [main.py:798]
{rank 0/64} MD step = 354100 step time: 00:00:00.344595 Performance: 31.790 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:26:00,138 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 90.355 -19059 9903 -28962 -28962 4.1845 1.1372 -1.8069 7.0888e+05 2024-05-19 00:26:34,915 INFO [main.py:798]
{rank 0/64} MD step = 354200 step time: 00:00:00.354382 Performance: 31.791 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:26:41,424 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 90.16 -19098 9881.7 -28980 -28980 4.1856 1.1402 -1.8064 7.0909e+05 2024-05-19 00:27:15,924 INFO [main.py:798]
{rank 0/64} MD step = 354300 step time: 00:00:00.347793 Performance: 31.793 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:27:21,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354300 70860 90.27 -19079 9893.7 -28973 -28973 4.1896 1.1446 -1.8063 7.0926e+05 2024-05-19 00:27:56,306 INFO [main.py:798]
{rank 0/64} MD step = 354400 step time: 00:00:00.330502 Performance: 31.796 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:28:03,580 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 90.404 -19230 9908.4 -29139 -29139 4.1924 1.1486 -1.8063 7.0948e+05 2024-05-19 00:28:37,978 INFO [main.py:798]
{rank 0/64} MD step = 354500 step time: 00:00:00.326579 Performance: 31.798 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:28:52,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354500 70900 91.939 -18963 10077 -29040 -29040 4.1939 1.1534 -1.805 7.0972e+05 2024-05-19 00:29:27,335 INFO [main.py:798]
{rank 0/64} MD step = 354600 step time: 00:00:00.333925 Performance: 31.799 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:29:33,770 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 90.548 -19074 9924.2 -28998 -28998 4.1951 1.1562 -1.8049 7.0995e+05 2024-05-19 00:30:08,580 INFO [main.py:798]
{rank 0/64} MD step = 354700 step time: 00:00:00.330870 Performance: 31.801 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:30:16,727 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 89.074 -19309 9762.6 -29071 -29071 4.1984 1.1616 -1.8046 7.1012e+05 2024-05-19 00:30:51,112 INFO [main.py:798]
{rank 0/64} MD step = 354800 step time: 00:00:00.327810 Performance: 31.803 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:31:09,967 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 88.904 -19254 9744 -28998 -28998 4.2003 1.1667 -1.8067 7.1033e+05 2024-05-19 00:31:44,857 INFO [main.py:798]
{rank 0/64} MD step = 354900 step time: 00:00:00.354385 Performance: 31.803 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-19 00:31:54,973 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 89.666 -19290 9827.5 -29118 -29118 4.202 1.169 -1.8061 7.1047e+05 2024-05-19 00:32:29,340 INFO [main.py:798]
{rank 0/64} MD step = 355000 step time: 00:00:00.354568 Performance: 31.804 ns/day 0.755 hours/ns 1.841 steps/s 2024-05-19 00:32:39,449 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 89.578 -19149 9817.9 -28967 -28967 4.2037 1.172 -1.8058 7.107e+05 2024-05-19 00:33:13,870 INFO [main.py:798]
{rank 0/64} MD step = 355100 step time: 00:00:00.347186 Performance: 31.806 ns/day 0.755 hours/ns 1.841 steps/s 2024-05-19 00:33:20,254 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 88.428 -19386 9691.8 -29078 -29078 4.2043 1.1764 -1.8055 7.1088e+05 2024-05-19 00:33:55,066 INFO [main.py:798]
{rank 0/64} MD step = 355200 step time: 00:00:00.357234 Performance: 31.808 ns/day 0.755 hours/ns 1.841 steps/s 2024-05-19 00:34:01,349 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 90.445 -19131 9912.9 -29044 -29044 4.2072 1.1795 -1.8059 7.1108e+05 2024-05-19 00:34:35,713 INFO [main.py:798]
{rank 0/64} MD step = 355300 step time: 00:00:00.352121 Performance: 31.810 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-19 00:34:43,726 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 87.982 -19382 9642.9 -29025 -29025 4.208 1.1838 -1.8055 7.1128e+05 2024-05-19 00:35:18,807 INFO [main.py:798]
{rank 0/64} MD step = 355400 step time: 00:00:00.354263 Performance: 31.812 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-19 00:35:26,662 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 88.473 -19107 9696.7 -28804 -28804 4.208 1.1884 -1.8066 7.1152e+05 2024-05-19 00:36:02,735 INFO [main.py:798]
{rank 0/64} MD step = 355500 step time: 00:00:00.381289 Performance: 31.814 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-19 00:36:10,273 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 89.018 -19171 9756.5 -28928 -28928 4.211 1.19 -1.8063 7.1167e+05 2024-05-19 00:36:44,962 INFO [main.py:798]
{rank 0/64} MD step = 355600 step time: 00:00:00.376685 Performance: 31.816 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-19 00:36:52,537 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 90.285 -19238 9895.4 -29133 -29133 4.2127 1.1925 -1.8068 7.1188e+05 2024-05-19 00:37:27,113 INFO [main.py:798]
{rank 0/64} MD step = 355700 step time: 00:00:00.345395 Performance: 31.818 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-19 00:37:33,651 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 89.286 -19118 9785.9 -28904 -28904 4.2136 1.1936 -1.8078 7.1211e+05 2024-05-19 00:38:09,583 INFO [main.py:798]
{rank 0/64} MD step = 355800 step time: 00:00:00.352861 Performance: 31.820 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-19 00:38:16,445 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 91.072 -18981 9981.6 -28963 -28963 4.2133 1.1956 -1.8073 7.1234e+05 2024-05-19 00:38:51,345 INFO [main.py:798]
{rank 0/64} MD step = 355900 step time: 00:00:00.353806 Performance: 31.822 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-19 00:38:58,498 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 90.537 -18991 9923 -28914 -28914 4.2156 1.1997 -1.8079 7.1254e+05 2024-05-19 00:39:32,999 INFO [main.py:798]
{rank 0/64} MD step = 356000 step time: 00:00:00.344530 Performance: 31.824 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-19 00:39:40,357 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 90.308 -19183 9897.8 -29081 -29081 4.2162 1.1994 -1.8079 7.1272e+05 2024-05-19 00:40:15,504 INFO [main.py:798]
{rank 0/64} MD step = 356100 step time: 00:00:00.380268 Performance: 31.826 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-19 00:40:21,457 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 90.186 -19111 9884.5 -28995 -28995 4.2188 1.2056 -1.8077 7.1291e+05 2024-05-19 00:40:56,750 INFO [main.py:798]
{rank 0/64} MD step = 356200 step time: 00:00:00.372287 Performance: 31.828 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-19 00:41:02,472 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 89.605 -19194 9820.8 -29014 -29014 4.2214 1.2098 -1.8076 7.1315e+05 2024-05-19 00:41:37,578 INFO [main.py:798]
{rank 0/64} MD step = 356300 step time: 00:00:00.341276 Performance: 31.830 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-19 00:41:45,112 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 90.814 -19173 9953.4 -29126 -29126 4.2227 1.2118 -1.8072 7.1336e+05 2024-05-19 00:42:20,291 INFO [main.py:798]
{rank 0/64} MD step = 356400 step time: 00:00:00.351407 Performance: 31.832 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-19 00:42:25,890 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 89.764 -19312 9838.3 -29150 -29150 4.2224 1.2154 -1.8064 7.1355e+05 2024-05-19 00:43:00,709 INFO [main.py:798]
{rank 0/64} MD step = 356500 step time: 00:00:00.352669 Performance: 31.835 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-19 00:43:07,231 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 88.995 -19389 9754 -29143 -29143 4.2229 1.2192 -1.8059 7.137e+05 2024-05-19 00:43:41,650 INFO [main.py:798]
{rank 0/64} MD step = 356600 step time: 00:00:00.345449 Performance: 31.837 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-19 00:43:47,462 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 89.325 -19467 9790.1 -29257 -29257 4.2243 1.2225 -1.8045 7.139e+05 2024-05-19 00:44:22,277 INFO [main.py:798]
{rank 0/64} MD step = 356700 step time: 00:00:00.353430 Performance: 31.839 ns/day 0.754 hours/ns 1.843 steps/s 2024-05-19 00:44:30,679 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 89.337 -19140 9791.4 -28931 -28931 4.2265 1.2281 -1.8032 7.1418e+05 2024-05-19 00:45:05,253 INFO [main.py:798]
{rank 0/64} MD step = 356800 step time: 00:00:00.354182 Performance: 31.841 ns/day 0.754 hours/ns 1.843 steps/s 2024-05-19 00:45:11,471 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 89.702 -19193 9831.4 -29024 -29024 4.2267 1.2309 -1.8023 7.1432e+05 2024-05-19 00:45:47,073 INFO [main.py:798]
{rank 0/64} MD step = 356900 step time: 00:00:00.357803 Performance: 31.843 ns/day 0.754 hours/ns 1.843 steps/s 2024-05-19 00:45:52,591 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 90.222 -18907 9888.4 -28796 -28796 4.2292 1.2335 -1.8024 7.1455e+05 2024-05-19 00:46:26,521 INFO [main.py:798]
{rank 0/64} MD step = 357000 step time: 00:00:00.342447 Performance: 31.845 ns/day 0.754 hours/ns 1.843 steps/s 2024-05-19 00:46:32,620 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 88.755 -19097 9727.7 -28824 -28824 4.2315 1.237 -1.8014 7.1468e+05 2024-05-19 00:47:07,054 INFO [main.py:798]
{rank 0/64} MD step = 357100 step time: 00:00:00.349458 Performance: 31.848 ns/day 0.754 hours/ns 1.843 steps/s 2024-05-19 00:47:14,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357100 71420 90.563 -18948 9925.8 -28874 -28874 4.2323 1.2393 -1.8021 7.149e+05 2024-05-19 00:47:48,578 INFO [main.py:798]
{rank 0/64} MD step = 357200 step time: 00:00:00.336952 Performance: 31.850 ns/day 0.754 hours/ns 1.843 steps/s 2024-05-19 00:47:56,186 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 89.93 -19045 9856.5 -28901 -28901 4.2342 1.2428 -1.8015 7.1511e+05 2024-05-19 00:48:31,130 INFO [main.py:798]
{rank 0/64} MD step = 357300 step time: 00:00:00.375221 Performance: 31.852 ns/day 0.753 hours/ns 1.843 steps/s 2024-05-19 00:48:36,645 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 89.672 -19142 9828.2 -28970 -28970 4.2342 1.2464 -1.8007 7.1526e+05 2024-05-19 00:49:14,779 INFO [main.py:798]
{rank 0/64} MD step = 357400 step time: 00:00:00.356950 Performance: 31.853 ns/day 0.753 hours/ns 1.843 steps/s 2024-05-19 00:49:20,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357400 71480 88.937 -19036 9747.6 -28783 -28783 4.2349 1.2492 -1.7967 7.1553e+05 2024-05-19 00:49:55,678 INFO [main.py:798]
{rank 0/64} MD step = 357500 step time: 00:00:00.344898 Performance: 31.856 ns/day 0.753 hours/ns 1.843 steps/s 2024-05-19 00:50:09,224 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 89.991 -19125 9863.1 -28988 -28988 4.2356 1.2541 -1.7959 7.157e+05 2024-05-19 00:50:43,856 INFO [main.py:798]
{rank 0/64} MD step = 357600 step time: 00:00:00.373991 Performance: 31.857 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:50:48,370 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 90.05 -19172 9869.5 -29041 -29041 4.236 1.259 -1.7965 7.1588e+05 2024-05-19 00:51:24,737 INFO [main.py:798]
{rank 0/64} MD step = 357700 step time: 00:00:00.356825 Performance: 31.859 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:51:30,738 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 89.895 -18859 9852.6 -28712 -28712 4.2373 1.2611 -1.7945 7.1613e+05 2024-05-19 00:52:06,187 INFO [main.py:798]
{rank 0/64} MD step = 357800 step time: 00:00:00.371304 Performance: 31.861 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:52:14,225 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 89.919 -18749 9855.3 -28604 -28604 4.2387 1.2653 -1.7954 7.1636e+05 2024-05-19 00:52:48,508 INFO [main.py:798]
{rank 0/64} MD step = 357900 step time: 00:00:00.343471 Performance: 31.863 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:52:58,366 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 91.981 -18557 10081 -28638 -28638 4.2402 1.2687 -1.7971 7.1654e+05 2024-05-19 00:53:33,100 INFO [main.py:798]
{rank 0/64} MD step = 358000 step time: 00:00:00.357574 Performance: 31.864 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:53:39,848 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 89.668 -18945 9827.7 -28773 -28773 4.2436 1.2717 -1.7955 7.1679e+05 2024-05-19 00:54:14,330 INFO [main.py:798]
{rank 0/64} MD step = 358100 step time: 00:00:00.352532 Performance: 31.867 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:54:20,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358100 71620 90.195 -18731 9885.5 -28616 -28616 4.2441 1.2739 -1.7951 7.1697e+05 2024-05-19 00:54:55,255 INFO [main.py:798]
{rank 0/64} MD step = 358200 step time: 00:00:00.381948 Performance: 31.869 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:55:01,776 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 91.53 -18779 10032 -28811 -28811 4.2453 1.2768 -1.7939 7.1714e+05 2024-05-19 00:55:36,351 INFO [main.py:798]
{rank 0/64} MD step = 358300 step time: 00:00:00.352957 Performance: 31.871 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:55:42,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358300 71660 90.014 -19011 9865.6 -28877 -28877 4.2468 1.2795 -1.7921 7.1733e+05 2024-05-19 00:56:18,218 INFO [main.py:798]
{rank 0/64} MD step = 358400 step time: 00:00:00.349359 Performance: 31.873 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-19 00:56:25,979 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 89.838 -19059 9846.3 -28905 -28905 4.251 1.2817 -1.7898 7.1749e+05 2024-05-19 00:57:02,419 INFO [main.py:798]
{rank 0/64} MD step = 358500 step time: 00:00:00.371534 Performance: 31.875 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 00:57:09,598 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 90.886 -19160 9961.2 -29122 -29122 4.2527 1.2811 -1.7897 7.1769e+05 2024-05-19 00:57:44,081 INFO [main.py:798]
{rank 0/64} MD step = 358600 step time: 00:00:00.343251 Performance: 31.877 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 00:57:50,057 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 89.955 -19399 9859.2 -29258 -29258 4.2548 1.2799 -1.7896 7.1786e+05 2024-05-19 00:58:24,518 INFO [main.py:798]
{rank 0/64} MD step = 358700 step time: 00:00:00.339178 Performance: 31.879 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 00:58:35,253 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 89.641 -19430 9824.8 -29255 -29255 4.2573 1.2797 -1.7893 7.1805e+05 2024-05-19 00:59:10,090 INFO [main.py:798]
{rank 0/64} MD step = 358800 step time: 00:00:00.353406 Performance: 31.880 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 00:59:17,411 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 89.896 -19026 9852.7 -28879 -28879 4.2606 1.2793 -1.7899 7.1829e+05 2024-05-19 00:59:53,056 INFO [main.py:798]
{rank 0/64} MD step = 358900 step time: 00:00:00.356460 Performance: 31.882 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 00:59:58,930 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 90.89 -19154 9961.7 -29115 -29115 4.2619 1.2797 -1.7881 7.185e+05 2024-05-19 01:00:32,821 INFO [main.py:798]
{rank 0/64} MD step = 359000 step time: 00:00:00.339131 Performance: 31.884 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 01:00:37,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359000 71800 89.548 -19152 9814.5 -28967 -28967 4.2637 1.2811 -1.7881 7.1869e+05 2024-05-19 01:01:12,436 INFO [main.py:798]
{rank 0/64} MD step = 359100 step time: 00:00:00.365839 Performance: 31.887 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 01:01:17,981 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 88.844 -19112 9737.4 -28849 -28849 4.2658 1.2826 -1.7872 7.1889e+05 2024-05-19 01:01:52,658 INFO [main.py:798]
{rank 0/64} MD step = 359200 step time: 00:00:00.334028 Performance: 31.889 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 01:02:12,780 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 90.239 -19039 9890.3 -28930 -28930 4.268 1.2847 -1.787 7.1911e+05 2024-05-19 01:02:48,242 INFO [main.py:798]
{rank 0/64} MD step = 359300 step time: 00:00:00.354993 Performance: 31.889 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-19 01:02:54,423 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 90.502 -18954 9919.2 -28873 -28873 4.2712 1.2859 -1.7856 7.193e+05 2024-05-19 01:03:28,942 INFO [main.py:798]
{rank 0/64} MD step = 359400 step time: 00:00:00.349296 Performance: 31.891 ns/day 0.753 hours/ns 1.846 steps/s 2024-05-19 01:03:41,555 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 89.924 -18951 9855.7 -28806 -28806 4.2716 1.2872 -1.787 7.1952e+05 2024-05-19 01:04:15,717 INFO [main.py:798]
{rank 0/64} MD step = 359500 step time: 00:00:00.361642 Performance: 31.892 ns/day 0.753 hours/ns 1.846 steps/s 2024-05-19 01:04:22,452 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 89.614 -19172 9821.8 -28994 -28994 4.2721 1.2878 -1.7852 7.1969e+05 2024-05-19 01:04:56,590 INFO [main.py:798]
{rank 0/64} MD step = 359600 step time: 00:00:00.336361 Performance: 31.895 ns/day 0.752 hours/ns 1.846 steps/s 2024-05-19 01:05:05,021 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 90.125 -18962 9877.8 -28839 -28839 4.2743 1.2917 -1.7849 7.1992e+05 2024-05-19 01:05:39,669 INFO [main.py:798]
{rank 0/64} MD step = 359700 step time: 00:00:00.342817 Performance: 31.896 ns/day 0.752 hours/ns 1.846 steps/s 2024-05-19 01:05:48,009 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 89.385 -19113 9796.7 -28910 -28910 4.278 1.2921 -1.7827 7.2008e+05 2024-05-19 01:06:23,485 INFO [main.py:798]
{rank 0/64} MD step = 359800 step time: 00:00:00.373255 Performance: 31.898 ns/day 0.752 hours/ns 1.846 steps/s 2024-05-19 01:06:30,817 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 90.051 -19177 9869.7 -29047 -29047 4.2799 1.2939 -1.7823 7.2027e+05 2024-05-19 01:07:04,947 INFO [main.py:798]
{rank 0/64} MD step = 359900 step time: 00:00:00.358922 Performance: 31.900 ns/day 0.752 hours/ns 1.846 steps/s 2024-05-19 01:07:11,085 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 90.381 -19082 9905.9 -28988 -28988 4.2823 1.2974 -1.7829 7.2048e+05 2024-05-19 01:07:45,900 INFO [main.py:798]
{rank 0/64} MD step = 360000 step time: 00:00:00.359870 Performance: 31.902 ns/day 0.752 hours/ns 1.846 steps/s 2024-05-19 01:07:52,211 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 88.559 -19285 9706.2 -28991 -28991 4.2841 1.3006 -1.7819 7.2067e+05 2024-05-19 01:08:27,167 INFO [main.py:798]
{rank 0/64} MD step = 360100 step time: 00:00:00.365009 Performance: 31.904 ns/day 0.752 hours/ns 1.846 steps/s 2024-05-19 01:08:37,174 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 90.465 -18995 9915.1 -28911 -28911 4.2851 1.3019 -1.7791 7.2089e+05 2024-05-19 01:09:11,994 INFO [main.py:798]
{rank 0/64} MD step = 360200 step time: 00:00:00.342693 Performance: 31.906 ns/day 0.752 hours/ns 1.846 steps/s 2024-05-19 01:09:19,265 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 90.166 -19137 9882.3 -29020 -29020 4.286 1.3019 -1.7787 7.2109e+05 2024-05-19 01:09:53,473 INFO [main.py:798]
{rank 0/64} MD step = 360300 step time: 00:00:00.339153 Performance: 31.908 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:09:59,581 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 88.7 -19342 9721.6 -29064 -29064 4.2864 1.3024 -1.777 7.2128e+05 2024-05-19 01:10:35,060 INFO [main.py:798]
{rank 0/64} MD step = 360400 step time: 00:00:00.356877 Performance: 31.910 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:10:41,052 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 90.89 -18928 9961.7 -28890 -28890 4.2894 1.3022 -1.7765 7.2149e+05 2024-05-19 01:11:16,341 INFO [main.py:798]
{rank 0/64} MD step = 360500 step time: 00:00:00.375901 Performance: 31.912 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:11:22,603 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 90.719 -19009 9942.9 -28952 -28952 4.2917 1.3032 -1.7735 7.2167e+05 2024-05-19 01:11:57,776 INFO [main.py:798]
{rank 0/64} MD step = 360600 step time: 00:00:00.361274 Performance: 31.914 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:12:08,199 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 90.637 -19122 9933.9 -29056 -29056 4.2911 1.3044 -1.7724 7.2189e+05 2024-05-19 01:12:42,546 INFO [main.py:798]
{rank 0/64} MD step = 360700 step time: 00:00:00.351860 Performance: 31.916 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:12:51,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360700 72140 90.664 -18875 9936.8 -28811 -28811 4.2913 1.3046 -1.7712 7.2211e+05 2024-05-19 01:13:26,274 INFO [main.py:798]
{rank 0/64} MD step = 360800 step time: 00:00:00.358799 Performance: 31.917 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:13:31,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360800 72160 90.947 -19170 9967.9 -29138 -29138 4.2901 1.3071 -1.7724 7.2228e+05 2024-05-19 01:14:09,379 INFO [main.py:798]
{rank 0/64} MD step = 360900 step time: 00:00:00.358594 Performance: 31.919 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:14:19,348 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 90.269 -19303 9893.6 -29196 -29196 4.289 1.3117 -1.7731 7.2247e+05 2024-05-19 01:14:53,565 INFO [main.py:798]
{rank 0/64} MD step = 361000 step time: 00:00:00.338498 Performance: 31.921 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:15:01,398 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 91.182 -19208 9993.7 -29202 -29202 4.288 1.3139 -1.7727 7.2267e+05 2024-05-19 01:15:36,534 INFO [main.py:798]
{rank 0/64} MD step = 361100 step time: 00:00:00.371065 Performance: 31.923 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:15:44,620 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 89.259 -19366 9782.9 -29149 -29149 4.2857 1.3148 -1.7727 7.2285e+05 2024-05-19 01:16:19,371 INFO [main.py:798]
{rank 0/64} MD step = 361200 step time: 00:00:00.352157 Performance: 31.925 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-19 01:16:25,870 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 89.415 -19309 9799.9 -29109 -29109 4.2851 1.3176 -1.7713 7.2302e+05 2024-05-19 01:17:00,514 INFO [main.py:798]
{rank 0/64} MD step = 361300 step time: 00:00:00.341089 Performance: 31.927 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-19 01:17:19,924 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 90.473 -19037 9916 -28953 -28953 4.2847 1.3199 -1.77 7.2327e+05 2024-05-19 01:17:54,161 INFO [main.py:798]
{rank 0/64} MD step = 361400 step time: 00:00:00.348771 Performance: 31.927 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-19 01:18:01,006 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 90.008 -19181 9865 -29046 -29046 4.2842 1.3225 -1.7692 7.2349e+05 2024-05-19 01:18:35,322 INFO [main.py:798]
{rank 0/64} MD step = 361500 step time: 00:00:00.357156 Performance: 31.929 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-19 01:18:43,930 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 89.342 -19339 9792 -29131 -29131 4.2842 1.3223 -1.7676 7.2366e+05 2024-05-19 01:19:17,158 INFO [main.py:798]
{rank 0/64} MD step = 361600 step time: 00:00:00.336678 Performance: 31.931 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-19 01:19:25,015 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 90.018 -19285 9866.1 -29151 -29151 4.2823 1.3232 -1.7664 7.2386e+05 2024-05-19 01:19:59,861 INFO [main.py:798]
{rank 0/64} MD step = 361700 step time: 00:00:00.359874 Performance: 31.933 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-19 01:20:08,757 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 89.438 -19139 9802.6 -28941 -28941 4.2814 1.3247 -1.7644 7.2409e+05 2024-05-19 01:20:43,370 INFO [main.py:798]
{rank 0/64} MD step = 361800 step time: 00:00:00.358245 Performance: 31.934 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-19 01:20:53,266 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 88.824 -19328 9735.3 -29063 -29063 4.279 1.3277 -1.7641 7.2424e+05 2024-05-19 01:21:28,034 INFO [main.py:798]
{rank 0/64} MD step = 361900 step time: 00:00:00.343433 Performance: 31.936 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-19 01:21:35,635 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 89.911 -18995 9854.3 -28849 -28849 4.2784 1.3296 -1.7638 7.2447e+05 2024-05-19 01:22:10,272 INFO [main.py:798]
{rank 0/64} MD step = 362000 step time: 00:00:00.339509 Performance: 31.938 ns/day 0.751 hours/ns 1.848 steps/s 2024-05-19 01:22:17,233 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 90.416 -18785 9909.7 -28695 -28695 4.2776 1.3332 -1.7646 7.2473e+05 2024-05-19 01:22:53,693 INFO [main.py:798]
{rank 0/64} MD step = 362100 step time: 00:00:00.367035 Performance: 31.940 ns/day 0.751 hours/ns 1.848 steps/s 2024-05-19 01:23:00,871 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 89.429 -18970 9801.5 -28772 -28772 4.2762 1.3366 -1.7639 7.2493e+05 2024-05-19 01:23:35,879 INFO [main.py:798]
{rank 0/64} MD step = 362200 step time: 00:00:00.379587 Performance: 31.942 ns/day 0.751 hours/ns 1.848 steps/s 2024-05-19 01:23:44,470 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 90.004 -18972 9864.5 -28836 -28836 4.2754 1.3395 -1.7644 7.2513e+05 2024-05-19 01:24:18,965 INFO [main.py:798]
{rank 0/64} MD step = 362300 step time: 00:00:00.353683 Performance: 31.943 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:24:27,038 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 90.058 -18992 9870.5 -28862 -28862 4.2751 1.3425 -1.7639 7.2532e+05 2024-05-19 01:25:02,672 INFO [main.py:798]
{rank 0/64} MD step = 362400 step time: 00:00:00.352430 Performance: 31.945 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:25:11,067 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 90.011 -18932 9865.3 -28798 -28798 4.274 1.3444 -1.7639 7.2554e+05 2024-05-19 01:25:47,144 INFO [main.py:798]
{rank 0/64} MD step = 362500 step time: 00:00:00.353555 Performance: 31.947 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:25:54,660 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 90.061 -18916 9870.7 -28787 -28787 4.2727 1.347 -1.7629 7.2574e+05 2024-05-19 01:26:29,094 INFO [main.py:798]
{rank 0/64} MD step = 362600 step time: 00:00:00.334217 Performance: 31.949 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:26:34,444 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 90.463 -18814 9914.9 -28729 -28729 4.2708 1.3498 -1.7614 7.2596e+05 2024-05-19 01:27:09,163 INFO [main.py:798]
{rank 0/64} MD step = 362700 step time: 00:00:00.362538 Performance: 31.951 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:27:18,472 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 89.159 -19183 9771.9 -28954 -28954 4.2702 1.3542 -1.7596 7.2613e+05 2024-05-19 01:27:52,908 INFO [main.py:798]
{rank 0/64} MD step = 362800 step time: 00:00:00.340874 Performance: 31.953 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:28:00,657 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 90.353 -18888 9902.8 -28791 -28791 4.2679 1.3554 -1.7577 7.2637e+05 2024-05-19 01:28:34,957 INFO [main.py:798]
{rank 0/64} MD step = 362900 step time: 00:00:00.341648 Performance: 31.955 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:28:41,372 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 88.801 -18969 9732.7 -28701 -28701 4.2659 1.3566 -1.757 7.2658e+05 2024-05-19 01:29:16,573 INFO [main.py:798]
{rank 0/64} MD step = 363000 step time: 00:00:00.365553 Performance: 31.957 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:29:23,932 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 89.775 -19001 9839.5 -28841 -28841 4.2652 1.3569 -1.7561 7.2674e+05 2024-05-19 01:29:58,964 INFO [main.py:798]
{rank 0/64} MD step = 363100 step time: 00:00:00.339169 Performance: 31.959 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-19 01:30:05,495 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 88.386 -19076 9687.2 -28764 -28764 4.2642 1.3591 -1.7547 7.2696e+05 2024-05-19 01:30:40,458 INFO [main.py:798]
{rank 0/64} MD step = 363200 step time: 00:00:00.342905 Performance: 31.961 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:30:46,750 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 89.624 -18887 9822.9 -28709 -28709 4.2663 1.3609 -1.7535 7.2715e+05 2024-05-19 01:31:21,297 INFO [main.py:798]
{rank 0/64} MD step = 363300 step time: 00:00:00.350271 Performance: 31.963 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:31:27,240 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 88.463 -19081 9695.6 -28777 -28777 4.2673 1.3614 -1.7538 7.2734e+05 2024-05-19 01:32:02,110 INFO [main.py:798]
{rank 0/64} MD step = 363400 step time: 00:00:00.341726 Performance: 31.965 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:32:16,271 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 89.344 -18991 9792.2 -28783 -28783 4.2669 1.3631 -1.7523 7.275e+05 2024-05-19 01:32:50,671 INFO [main.py:798]
{rank 0/64} MD step = 363500 step time: 00:00:00.342319 Performance: 31.966 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:32:57,184 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 90.164 -18932 9882 -28814 -28814 4.2672 1.3642 -1.7508 7.2775e+05 2024-05-19 01:33:32,503 INFO [main.py:798]
{rank 0/64} MD step = 363600 step time: 00:00:00.369831 Performance: 31.968 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:33:38,353 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 89.011 -18992 9755.7 -28748 -28748 4.2682 1.3652 -1.7483 7.2796e+05 2024-05-19 01:34:13,697 INFO [main.py:798]
{rank 0/64} MD step = 363700 step time: 00:00:00.374443 Performance: 31.970 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:34:20,779 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 89.713 -18871 9832.7 -28703 -28703 4.2678 1.3651 -1.7464 7.2816e+05 2024-05-19 01:34:56,390 INFO [main.py:798]
{rank 0/64} MD step = 363800 step time: 00:00:00.374029 Performance: 31.972 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:35:02,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363800 72760 90.022 -18855 9866.5 -28721 -28721 4.2663 1.3653 -1.7468 7.2835e+05 2024-05-19 01:35:38,949 INFO [main.py:798]
{rank 0/64} MD step = 363900 step time: 00:00:00.378435 Performance: 31.974 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:35:49,086 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 89.175 -18939 9773.7 -28713 -28713 4.2688 1.3678 -1.7468 7.2855e+05 2024-05-19 01:36:23,504 INFO [main.py:798]
{rank 0/64} MD step = 364000 step time: 00:00:00.351483 Performance: 31.975 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:36:33,611 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 90.156 -18848 9881.2 -28729 -28729 4.2706 1.3686 -1.747 7.2872e+05 2024-05-19 01:37:08,193 INFO [main.py:798]
{rank 0/64} MD step = 364100 step time: 00:00:00.358308 Performance: 31.977 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-19 01:37:14,251 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 89.455 -18882 9804.4 -28687 -28687 4.2731 1.37 -1.7463 7.2896e+05 2024-05-19 01:37:48,978 INFO [main.py:798]
{rank 0/64} MD step = 364200 step time: 00:00:00.354216 Performance: 31.979 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-19 01:37:55,444 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 90.701 -18746 9940.9 -28687 -28687 4.2745 1.3717 -1.7459 7.2913e+05 2024-05-19 01:38:30,156 INFO [main.py:798]
{rank 0/64} MD step = 364300 step time: 00:00:00.352289 Performance: 31.981 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-19 01:38:34,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364300 72860 91.42 -18563 10020 -28583 -28583 4.2741 1.3733 -1.7458 7.2933e+05 2024-05-19 01:39:10,736 INFO [main.py:798]
{rank 0/64} MD step = 364400 step time: 00:00:00.346644 Performance: 31.983 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-19 01:39:16,772 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 89.864 -18855 9849.2 -28704 -28704 4.2743 1.3738 -1.7459 7.2947e+05 2024-05-19 01:39:51,422 INFO [main.py:798]
{rank 0/64} MD step = 364500 step time: 00:00:00.348883 Performance: 31.985 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-19 01:39:58,928 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 88.861 -18655 9739.3 -28394 -28394 4.274 1.3759 -1.7461 7.2974e+05 2024-05-19 01:40:33,705 INFO [main.py:798]
{rank 0/64} MD step = 364600 step time: 00:00:00.354781 Performance: 31.987 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-19 01:40:41,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364600 72920 89.179 -18715 9774.1 -28489 -28489 4.2732 1.3764 -1.7447 7.2992e+05 2024-05-19 01:41:15,976 INFO [main.py:798]
{rank 0/64} MD step = 364700 step time: 00:00:00.351507 Performance: 31.989 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-19 01:41:21,478 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 90.248 -18835 9891.3 -28727 -28727 4.2742 1.3768 -1.7442 7.3008e+05 2024-05-19 01:41:56,077 INFO [main.py:798]
{rank 0/64} MD step = 364800 step time: 00:00:00.353357 Performance: 31.991 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-19 01:42:01,327 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 89.293 -19065 9786.7 -28852 -28852 4.2766 1.3802 -1.7432 7.3023e+05 2024-05-19 01:42:35,969 INFO [main.py:798]
{rank 0/64} MD step = 364900 step time: 00:00:00.342952 Performance: 31.994 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-19 01:42:42,512 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 90.277 -18750 9894.4 -28644 -28644 4.2768 1.3814 -1.7441 7.3045e+05 2024-05-19 01:43:17,410 INFO [main.py:798]
{rank 0/64} MD step = 365000 step time: 00:00:00.346136 Performance: 31.996 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:43:24,289 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 90.047 -18751 9869.3 -28620 -28620 4.2777 1.3844 -1.7453 7.3061e+05 2024-05-19 01:44:00,330 INFO [main.py:798]
{rank 0/64} MD step = 365100 step time: 00:00:00.374631 Performance: 31.997 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:44:06,822 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 90.8 -18792 9951.8 -28744 -28744 4.2801 1.3875 -1.7447 7.3082e+05 2024-05-19 01:44:41,330 INFO [main.py:798]
{rank 0/64} MD step = 365200 step time: 00:00:00.348276 Performance: 32.000 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:44:48,672 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 90.077 -18880 9872.5 -28753 -28753 4.2799 1.3899 -1.7436 7.3101e+05 2024-05-19 01:45:24,406 INFO [main.py:798]
{rank 0/64} MD step = 365300 step time: 00:00:00.379482 Performance: 32.001 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:45:30,618 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 91.794 -18913 10061 -28973 -28973 4.2785 1.3894 -1.7418 7.3122e+05 2024-05-19 01:46:05,446 INFO [main.py:798]
{rank 0/64} MD step = 365400 step time: 00:00:00.355070 Performance: 32.003 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:46:10,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365400 73080 90.066 -18955 9871.4 -28826 -28826 4.2776 1.3908 -1.7417 7.3142e+05 2024-05-19 01:46:45,583 INFO [main.py:798]
{rank 0/64} MD step = 365500 step time: 00:00:00.360249 Performance: 32.006 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:46:51,467 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 89.997 -18719 9863.8 -28583 -28583 4.2783 1.3926 -1.7414 7.317e+05 2024-05-19 01:47:26,249 INFO [main.py:798]
{rank 0/64} MD step = 365600 step time: 00:00:00.403128 Performance: 32.008 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:47:31,259 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 89.355 -18945 9793.4 -28738 -28738 4.2788 1.3952 -1.7403 7.3188e+05 2024-05-19 01:48:06,323 INFO [main.py:798]
{rank 0/64} MD step = 365700 step time: 00:00:00.348672 Performance: 32.010 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:48:13,072 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 89.608 -18828 9821.1 -28649 -28649 4.2778 1.3974 -1.7403 7.3208e+05 2024-05-19 01:48:47,401 INFO [main.py:798]
{rank 0/64} MD step = 365800 step time: 00:00:00.327163 Performance: 32.012 ns/day 0.750 hours/ns 1.853 steps/s 2024-05-19 01:49:16,955 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 90.853 -18582 9957.6 -28540 -28540 4.2773 1.399 -1.74 7.3228e+05 2024-05-19 01:49:51,613 INFO [main.py:798]
{rank 0/64} MD step = 365900 step time: 00:00:00.351899 Performance: 32.011 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-19 01:49:58,857 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 90.414 -18854 9909.5 -28764 -28764 4.2755 1.4008 -1.74 7.3243e+05 2024-05-19 01:50:33,956 INFO [main.py:798]
{rank 0/64} MD step = 366000 step time: 00:00:00.351432 Performance: 32.012 ns/day 0.750 hours/ns 1.853 steps/s 2024-05-19 01:50:40,606 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 89.999 -18895 9864 -28759 -28759 4.2735 1.4031 -1.7388 7.3266e+05 2024-05-19 01:51:15,551 INFO [main.py:798]
{rank 0/64} MD step = 366100 step time: 00:00:00.358865 Performance: 32.014 ns/day 0.750 hours/ns 1.853 steps/s 2024-05-19 01:51:21,736 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 89.685 -19043 9829.6 -28873 -28873 4.2716 1.4075 -1.7398 7.3285e+05 2024-05-19 01:51:55,907 INFO [main.py:798]
{rank 0/64} MD step = 366200 step time: 00:00:00.333964 Performance: 32.017 ns/day 0.750 hours/ns 1.853 steps/s 2024-05-19 01:52:03,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366200 73240 88.583 -19035 9708.8 -28744 -28744 4.2705 1.409 -1.7386 7.3301e+05 2024-05-19 01:52:38,183 INFO [main.py:798]
{rank 0/64} MD step = 366300 step time: 00:00:00.335565 Performance: 32.019 ns/day 0.750 hours/ns 1.853 steps/s 2024-05-19 01:52:44,042 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 90.873 -18867 9959.8 -28827 -28827 4.2696 1.4096 -1.7369 7.3318e+05 2024-05-19 01:53:19,146 INFO [main.py:798]
{rank 0/64} MD step = 366400 step time: 00:00:00.333015 Performance: 32.021 ns/day 0.750 hours/ns 1.853 steps/s 2024-05-19 01:53:26,046 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 90.087 -18900 9873.7 -28774 -28774 4.269 1.4101 -1.7361 7.3342e+05 2024-05-19 01:54:00,471 INFO [main.py:798]
{rank 0/64} MD step = 366500 step time: 00:00:00.329072 Performance: 32.023 ns/day 0.749 hours/ns 1.853 steps/s 2024-05-19 01:54:07,193 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 90.636 -18748 9933.8 -28682 -28682 4.2679 1.4099 -1.734 7.3363e+05 2024-05-19 01:54:42,779 INFO [main.py:798]
{rank 0/64} MD step = 366600 step time: 00:00:00.351841 Performance: 32.025 ns/day 0.749 hours/ns 1.853 steps/s 2024-05-19 01:54:48,582 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 90.648 -18854 9935.2 -28789 -28789 4.267 1.4111 -1.7333 7.3382e+05 2024-05-19 01:55:24,896 INFO [main.py:798]
{rank 0/64} MD step = 366700 step time: 00:00:00.353700 Performance: 32.026 ns/day 0.749 hours/ns 1.853 steps/s 2024-05-19 01:55:32,145 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 89.33 -18959 9790.7 -28750 -28750 4.267 1.4131 -1.7323 7.3403e+05 2024-05-19 01:56:08,397 INFO [main.py:798]
{rank 0/64} MD step = 366800 step time: 00:00:00.344805 Performance: 32.028 ns/day 0.749 hours/ns 1.853 steps/s 2024-05-19 01:56:15,162 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 90.054 -18967 9870.1 -28838 -28838 4.2667 1.4154 -1.7304 7.3421e+05 2024-05-19 01:56:49,712 INFO [main.py:798]
{rank 0/64} MD step = 366900 step time: 00:00:00.354585 Performance: 32.030 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 01:56:57,436 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 89.351 -18793 9793 -28586 -28586 4.2646 1.4175 -1.7314 7.3443e+05 2024-05-19 01:57:31,879 INFO [main.py:798]
{rank 0/64} MD step = 367000 step time: 00:00:00.346763 Performance: 32.032 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 01:57:37,926 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 89.063 -19049 9761.4 -28810 -28810 4.261 1.4215 -1.7313 7.3457e+05 2024-05-19 01:58:12,641 INFO [main.py:798]
{rank 0/64} MD step = 367100 step time: 00:00:00.349050 Performance: 32.034 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 01:58:19,207 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 89.476 -18987 9806.7 -28794 -28794 4.2602 1.4253 -1.7298 7.3478e+05 2024-05-19 01:58:54,094 INFO [main.py:798]
{rank 0/64} MD step = 367200 step time: 00:00:00.337403 Performance: 32.036 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 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 367200 73440 90.339 -18931 9901.3 -28833 -28833 4.2614 1.4271 -1.7287 7.3501e+05 2024-05-19 01:59:36,785 INFO [main.py:798]
{rank 0/64} MD step = 367300 step time: 00:00:00.360223 Performance: 32.038 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 01:59:43,282 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 89.536 -18794 9813.2 -28607 -28607 4.2611 1.4282 -1.7279 7.3523e+05 2024-05-19 02:00:18,274 INFO [main.py:798]
{rank 0/64} MD step = 367400 step time: 00:00:00.361328 Performance: 32.040 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 02:00:26,887 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 90.91 -18848 9963.8 -28812 -28812 4.2614 1.4298 -1.726 7.354e+05 2024-05-19 02:01:01,499 INFO [main.py:798]
{rank 0/64} MD step = 367500 step time: 00:00:00.349214 Performance: 32.042 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 02:01:07,381 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 89.969 -19028 9860.7 -28889 -28889 4.2602 1.4334 -1.7269 7.3558e+05 2024-05-19 02:01:41,560 INFO [main.py:798]
{rank 0/64} MD step = 367600 step time: 00:00:00.329132 Performance: 32.044 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 02:02:01,440 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 89.674 -18950 9828.4 -28779 -28779 4.2599 1.4369 -1.7246 7.3579e+05 2024-05-19 02:02:36,006 INFO [main.py:798]
{rank 0/64} MD step = 367700 step time: 00:00:00.352167 Performance: 32.044 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-19 02:02:42,898 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 90.397 -18903 9907.7 -28810 -28810 4.2584 1.4388 -1.7236 7.3602e+05 2024-05-19 02:03:17,864 INFO [main.py:798]
{rank 0/64} MD step = 367800 step time: 00:00:00.357445 Performance: 32.046 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:03:23,607 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 88.839 -18913 9736.8 -28650 -28650 4.2578 1.4412 -1.7215 7.3625e+05 2024-05-19 02:03:58,293 INFO [main.py:798]
{rank 0/64} MD step = 367900 step time: 00:00:00.333032 Performance: 32.048 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:04:12,979 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 90.554 -18928 9924.8 -28853 -28853 4.2567 1.4432 -1.7179 7.3643e+05 2024-05-19 02:04:47,434 INFO [main.py:798]
{rank 0/64} MD step = 368000 step time: 00:00:00.344049 Performance: 32.049 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:04:53,714 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 90.339 -18893 9901.3 -28794 -28794 4.2548 1.4454 -1.7177 7.3662e+05 2024-05-19 02:05:28,293 INFO [main.py:798]
{rank 0/64} MD step = 368100 step time: 00:00:00.344501 Performance: 32.051 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:05:36,286 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 89.516 -19051 9811 -28862 -28862 4.2516 1.4468 -1.7175 7.3683e+05 2024-05-19 02:06:10,372 INFO [main.py:798]
{rank 0/64} MD step = 368200 step time: 00:00:00.356261 Performance: 32.053 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:06:15,729 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 89.624 -18970 9822.9 -28793 -28793 4.249 1.45 -1.7177 7.3705e+05 2024-05-19 02:06:49,726 INFO [main.py:798]
{rank 0/64} MD step = 368300 step time: 00:00:00.353786 Performance: 32.055 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:06:55,036 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 90.982 -18668 9971.7 -28640 -28640 4.2483 1.4538 -1.716 7.3731e+05 2024-05-19 02:07:29,980 INFO [main.py:798]
{rank 0/64} MD step = 368400 step time: 00:00:00.347320 Performance: 32.057 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:07:36,474 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 90.768 -18860 9948.2 -28809 -28809 4.2485 1.4579 -1.715 7.3745e+05 2024-05-19 02:08:11,694 INFO [main.py:798]
{rank 0/64} MD step = 368500 step time: 00:00:00.341062 Performance: 32.059 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:08:18,998 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 88.61 -19082 9711.7 -28794 -28794 4.2476 1.46 -1.7154 7.3769e+05 2024-05-19 02:08:53,587 INFO [main.py:798]
{rank 0/64} MD step = 368600 step time: 00:00:00.334992 Performance: 32.061 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-19 02:09:01,290 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 90.124 -18901 9877.8 -28778 -28778 4.2461 1.4631 -1.7154 7.3788e+05 2024-05-19 02:09:35,758 INFO [main.py:798]
{rank 0/64} MD step = 368700 step time: 00:00:00.353532 Performance: 32.063 ns/day 0.749 hours/ns 1.856 steps/s 2024-05-19 02:09:44,006 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 89.776 -18795 9839.6 -28635 -28635 4.2449 1.4654 -1.7142 7.3812e+05 2024-05-19 02:10:18,149 INFO [main.py:798]
{rank 0/64} MD step = 368800 step time: 00:00:00.352200 Performance: 32.065 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-19 02:10:24,613 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 89.792 -18889 9841.4 -28731 -28731 4.242 1.4689 -1.7143 7.3833e+05 2024-05-19 02:10:59,425 INFO [main.py:798]
{rank 0/64} MD step = 368900 step time: 00:00:00.344528 Performance: 32.067 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-19 02:11:05,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368900 73780 90.093 -18793 9874.3 -28667 -28667 4.2411 1.4733 -1.7132 7.3851e+05 2024-05-19 02:11:40,290 INFO [main.py:798]
{rank 0/64} MD step = 369000 step time: 00:00:00.352295 Performance: 32.069 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-19 02:11:46,156 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 90.331 -19045 9900.4 -28945 -28945 4.2391 1.4785 -1.7107 7.3869e+05 2024-05-19 02:12:20,797 INFO [main.py:798]
{rank 0/64} MD step = 369100 step time: 00:00:00.343081 Performance: 32.071 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-19 02:12:26,844 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 90.94 -18796 9967.2 -28763 -28763 4.2364 1.4812 -1.7097 7.3893e+05 2024-05-19 02:13:01,325 INFO [main.py:798]
{rank 0/64} MD step = 369200 step time: 00:00:00.342066 Performance: 32.074 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-19 02:13:07,032 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 89.141 -18976 9770 -28746 -28746 4.2346 1.4833 -1.7087 7.391e+05 2024-05-19 02:13:41,827 INFO [main.py:798]
{rank 0/64} MD step = 369300 step time: 00:00:00.364607 Performance: 32.076 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-19 02:13:48,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369300 73860 90.271 -18874 9893.8 -28768 -28768 4.2328 1.4855 -1.7083 7.3931e+05 2024-05-19 02:14:23,148 INFO [main.py:798]
{rank 0/64} MD step = 369400 step time: 00:00:00.355311 Performance: 32.078 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-19 02:14:29,448 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 89.743 -18808 9836 -28644 -28644 4.2318 1.4872 -1.7064 7.3951e+05 2024-05-19 02:15:03,943 INFO [main.py:798]
{rank 0/64} MD step = 369500 step time: 00:00:00.351814 Performance: 32.080 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-19 02:15:10,782 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 90.783 -18839 9950 -28789 -28789 4.2306 1.4903 -1.706 7.3967e+05 2024-05-19 02:15:45,250 INFO [main.py:798]
{rank 0/64} MD step = 369600 step time: 00:00:00.366540 Performance: 32.082 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:15:54,326 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 90.215 -19107 9887.6 -28995 -28995 4.2294 1.493 -1.7051 7.3989e+05 2024-05-19 02:16:28,987 INFO [main.py:798]
{rank 0/64} MD step = 369700 step time: 00:00:00.353198 Performance: 32.083 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:16:35,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369700 73940 88.933 -19079 9747.2 -28826 -28826 4.2267 1.4964 -1.7028 7.401e+05 2024-05-19 02:17:09,448 INFO [main.py:798]
{rank 0/64} MD step = 369800 step time: 00:00:00.346000 Performance: 32.086 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:17:15,435 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 90.888 -18829 9961.5 -28791 -28791 4.2238 1.4999 -1.7008 7.4032e+05 2024-05-19 02:17:50,410 INFO [main.py:798]
{rank 0/64} MD step = 369900 step time: 00:00:00.352841 Performance: 32.088 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:17:56,780 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 88.773 -18962 9729.7 -28692 -28692 4.2231 1.502 -1.6984 7.4053e+05 2024-05-19 02:18:33,308 INFO [main.py:798]
{rank 0/64} MD step = 370000 step time: 00:00:00.352246 Performance: 32.089 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:18:39,207 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 90.223 -19210 9888.6 -29099 -29099 4.2217 1.5046 -1.6991 7.407e+05 2024-05-19 02:19:14,204 INFO [main.py:798]
{rank 0/64} MD step = 370100 step time: 00:00:00.384183 Performance: 32.092 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:19:19,645 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 90.184 -18990 9884.3 -28874 -28874 4.2176 1.5065 -1.6982 7.4089e+05 2024-05-19 02:19:54,185 INFO [main.py:798]
{rank 0/64} MD step = 370200 step time: 00:00:00.332236 Performance: 32.094 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:20:08,006 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 88.609 -19327 9711.6 -29039 -29039 4.2145 1.51 -1.6973 7.4107e+05 2024-05-19 02:20:43,862 INFO [main.py:798]
{rank 0/64} MD step = 370300 step time: 00:00:00.349106 Performance: 32.094 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:20:50,261 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 89.586 -19053 9818.7 -28872 -28872 4.214 1.5145 -1.6977 7.4129e+05 2024-05-19 02:21:24,919 INFO [main.py:798]
{rank 0/64} MD step = 370400 step time: 00:00:00.331760 Performance: 32.097 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-19 02:21:33,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370400 74080 89.441 -19097 9802.9 -28900 -28900 4.2121 1.5181 -1.6977 7.4151e+05 2024-05-19 02:22:07,932 INFO [main.py:798]
{rank 0/64} MD step = 370500 step time: 00:00:00.380387 Performance: 32.098 ns/day 0.748 hours/ns 1.858 steps/s 2024-05-19 02:22:13,207 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 89.753 -19307 9837 -29144 -29144 4.2092 1.5222 -1.6986 7.4171e+05 2024-05-19 02:22:48,651 INFO [main.py:798]
{rank 0/64} MD step = 370600 step time: 00:00:00.344659 Performance: 32.100 ns/day 0.748 hours/ns 1.858 steps/s 2024-05-19 02:22:55,779 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 89.459 -19241 9804.8 -29046 -29046 4.2083 1.5249 -1.6984 7.419e+05 2024-05-19 02:23:31,758 INFO [main.py:798]
{rank 0/64} MD step = 370700 step time: 00:00:00.346777 Performance: 32.102 ns/day 0.748 hours/ns 1.858 steps/s 2024-05-19 02:23:37,824 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 91.703 -18832 10051 -28883 -28883 4.208 1.5274 -1.6969 7.4211e+05 2024-05-19 02:24:13,063 INFO [main.py:798]
{rank 0/64} MD step = 370800 step time: 00:00:00.338462 Performance: 32.104 ns/day 0.748 hours/ns 1.858 steps/s 2024-05-19 02:24:19,619 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 89.292 -19161 9786.6 -28948 -28948 4.207 1.5287 -1.6974 7.4234e+05 2024-05-19 02:24:54,453 INFO [main.py:798]
{rank 0/64} MD step = 370900 step time: 00:00:00.330465 Performance: 32.106 ns/day 0.748 hours/ns 1.858 steps/s 2024-05-19 02:25:01,098 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 90.549 -19128 9924.3 -29053 -29053 4.2059 1.5319 -1.6975 7.4248e+05 2024-05-19 02:25:38,147 INFO [main.py:798]
{rank 0/64} MD step = 371000 step time: 00:00:00.379570 Performance: 32.108 ns/day 0.747 hours/ns 1.858 steps/s 2024-05-19 02:25:47,039 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 89.072 -19079 9762.4 -28842 -28842 4.2074 1.5343 -1.6976 7.4267e+05 2024-05-19 02:26:21,643 INFO [main.py:798]
{rank 0/64} MD step = 371100 step time: 00:00:00.329010 Performance: 32.109 ns/day 0.747 hours/ns 1.858 steps/s 2024-05-19 02:26:28,572 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 90.153 -19268 9880.9 -29149 -29149 4.2057 1.5399 -1.6959 7.428e+05 2024-05-19 02:27:03,358 INFO [main.py:798]
{rank 0/64} MD step = 371200 step time: 00:00:00.345011 Performance: 32.111 ns/day 0.747 hours/ns 1.858 steps/s 2024-05-19 02:27:07,594 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 89.153 -19279 9771.3 -29050 -29050 4.2043 1.5439 -1.6951 7.4305e+05 2024-05-19 02:27:43,868 INFO [main.py:798]
{rank 0/64} MD step = 371300 step time: 00:00:00.335074 Performance: 32.114 ns/day 0.747 hours/ns 1.858 steps/s 2024-05-19 02:27:52,727 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 91.488 -18919 10027 -28946 -28946 4.2033 1.5471 -1.6929 7.433e+05 2024-05-19 02:28:27,048 INFO [main.py:798]
{rank 0/64} MD step = 371400 step time: 00:00:00.337660 Performance: 32.115 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:28:34,306 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 89.453 -19074 9804.1 -28879 -28879 4.1995 1.5487 -1.6914 7.4351e+05 2024-05-19 02:29:08,843 INFO [main.py:798]
{rank 0/64} MD step = 371500 step time: 00:00:00.329459 Performance: 32.117 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:29:21,079 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 90.847 -18825 9956.9 -28782 -28782 4.1971 1.5515 -1.6921 7.4369e+05 2024-05-19 02:29:56,300 INFO [main.py:798]
{rank 0/64} MD step = 371600 step time: 00:00:00.375748 Performance: 32.118 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:30:09,878 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 90.706 -18770 9941.5 -28711 -28711 4.1954 1.5554 -1.6914 7.439e+05 2024-05-19 02:30:46,072 INFO [main.py:798]
{rank 0/64} MD step = 371700 step time: 00:00:00.355822 Performance: 32.119 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:30:51,511 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 89.139 -19340 9769.8 -29110 -29110 4.1947 1.5601 -1.6906 7.4403e+05 2024-05-19 02:31:26,491 INFO [main.py:798]
{rank 0/64} MD step = 371800 step time: 00:00:00.353092 Performance: 32.121 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:31:32,618 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 88.977 -19200 9752 -28952 -28952 4.1932 1.5646 -1.689 7.4423e+05 2024-05-19 02:32:07,490 INFO [main.py:798]
{rank 0/64} MD step = 371900 step time: 00:00:00.359109 Performance: 32.123 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:32:14,090 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 89.949 -19266 9858.5 -29125 -29125 4.1923 1.5674 -1.6885 7.444e+05 2024-05-19 02:32:48,868 INFO [main.py:798]
{rank 0/64} MD step = 372000 step time: 00:00:00.353716 Performance: 32.125 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:32:53,651 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 90.315 -19056 9898.6 -28955 -28955 4.1906 1.5716 -1.6879 7.4462e+05 2024-05-19 02:33:28,157 INFO [main.py:798]
{rank 0/64} MD step = 372100 step time: 00:00:00.336019 Performance: 32.127 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:33:33,611 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 90.308 -18963 9897.9 -28861 -28861 4.1902 1.5741 -1.6864 7.4483e+05 2024-05-19 02:34:08,256 INFO [main.py:798]
{rank 0/64} MD step = 372200 step time: 00:00:00.349545 Performance: 32.130 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:34:14,691 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 89.247 -19257 9781.6 -29039 -29039 4.19 1.5773 -1.6846 7.4503e+05 2024-05-19 02:34:49,223 INFO [main.py:798]
{rank 0/64} MD step = 372300 step time: 00:00:00.347439 Performance: 32.132 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-19 02:34:56,682 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 89.629 -19310 9823.4 -29134 -29134 4.1897 1.5799 -1.682 7.4521e+05 2024-05-19 02:35:31,368 INFO [main.py:798]
{rank 0/64} MD step = 372400 step time: 00:00:00.358977 Performance: 32.133 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:35:38,936 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 89.322 -19074 9789.8 -28864 -28864 4.1882 1.5834 -1.6807 7.4544e+05 2024-05-19 02:36:14,851 INFO [main.py:798]
{rank 0/64} MD step = 372500 step time: 00:00:00.385248 Performance: 32.135 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:36:24,249 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 90.424 -19029 9910.6 -28940 -28940 4.1887 1.5857 -1.6791 7.4558e+05 2024-05-19 02:37:00,765 INFO [main.py:798]
{rank 0/64} MD step = 372600 step time: 00:00:00.372238 Performance: 32.136 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:37:09,848 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 90.097 -19258 9874.8 -29133 -29133 4.1886 1.589 -1.6783 7.4579e+05 2024-05-19 02:37:44,500 INFO [main.py:798]
{rank 0/64} MD step = 372700 step time: 00:00:00.352919 Performance: 32.138 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:37:50,577 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 91.121 -19192 9987 -29179 -29179 4.1881 1.5902 -1.6759 7.4599e+05 2024-05-19 02:38:25,635 INFO [main.py:798]
{rank 0/64} MD step = 372800 step time: 00:00:00.359052 Performance: 32.140 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:38:34,770 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 89.771 -19295 9839 -29134 -29134 4.1878 1.5938 -1.6733 7.4621e+05 2024-05-19 02:39:09,580 INFO [main.py:798]
{rank 0/64} MD step = 372900 step time: 00:00:00.356315 Performance: 32.142 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:39:15,591 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 89.901 -19023 9853.2 -28876 -28876 4.1859 1.5976 -1.6733 7.4643e+05 2024-05-19 02:39:52,439 INFO [main.py:798]
{rank 0/64} MD step = 373000 step time: 00:00:00.379427 Performance: 32.143 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:39:58,724 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 89.545 -19218 9814.2 -29032 -29032 4.1851 1.6011 -1.6723 7.4662e+05 2024-05-19 02:40:34,600 INFO [main.py:798]
{rank 0/64} MD step = 373100 step time: 00:00:00.376682 Performance: 32.145 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:40:40,504 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 90.584 -18927 9928.1 -28856 -28856 4.1835 1.6052 -1.6703 7.4681e+05 2024-05-19 02:41:15,262 INFO [main.py:798]
{rank 0/64} MD step = 373200 step time: 00:00:00.352180 Performance: 32.147 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:41:20,846 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 89.227 -19004 9779.4 -28783 -28783 4.1832 1.6085 -1.6685 7.47e+05 2024-05-19 02:41:56,328 INFO [main.py:798]
{rank 0/64} MD step = 373300 step time: 00:00:00.372807 Performance: 32.149 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-19 02:42:03,483 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 90.501 -19066 9919 -28985 -28985 4.1819 1.6131 -1.6684 7.4721e+05 2024-05-19 02:42:37,932 INFO [main.py:798]
{rank 0/64} MD step = 373400 step time: 00:00:00.358809 Performance: 32.151 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-19 02:42:48,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373400 74680 90.053 -19118 9870 -28988 -28988 4.1816 1.6157 -1.669 7.474e+05 2024-05-19 02:43:23,699 INFO [main.py:798]
{rank 0/64} MD step = 373500 step time: 00:00:00.331209 Performance: 32.153 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-19 02:43:28,964 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 89.248 -19349 9781.7 -29131 -29131 4.1788 1.6173 -1.6679 7.4761e+05 2024-05-19 02:44:03,938 INFO [main.py:798]
{rank 0/64} MD step = 373600 step time: 00:00:00.332721 Performance: 32.155 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-19 02:44:08,965 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 90.084 -19262 9873.3 -29135 -29135 4.1786 1.6205 -1.6673 7.4781e+05 2024-05-19 02:44:43,721 INFO [main.py:798]
{rank 0/64} MD step = 373700 step time: 00:00:00.354811 Performance: 32.157 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-19 02:44:49,915 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 90.495 -19144 9918.4 -29062 -29062 4.1773 1.6237 -1.6657 7.4803e+05 2024-05-19 02:45:25,244 INFO [main.py:798]
{rank 0/64} MD step = 373800 step time: 00:00:00.327502 Performance: 32.159 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-19 02:45:30,741 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 89.951 -19252 9858.8 -29111 -29111 4.1752 1.6283 -1.6663 7.482e+05 2024-05-19 02:46:06,030 INFO [main.py:798]
{rank 0/64} MD step = 373900 step time: 00:00:00.353927 Performance: 32.161 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-19 02:46:12,345 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 90.958 -18980 9969.1 -28949 -28949 4.1727 1.6329 -1.6658 7.4842e+05 2024-05-19 02:46:49,104 INFO [main.py:798]
{rank 0/64} MD step = 374000 step time: 00:00:00.347831 Performance: 32.163 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-19 02:46:54,996 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 90.189 -19234 9884.8 -29119 -29119 4.1733 1.637 -1.6654 7.4863e+05 2024-05-19 02:47:30,066 INFO [main.py:798]
{rank 0/64} MD step = 374100 step time: 00:00:00.347775 Performance: 32.165 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-19 02:47:35,562 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 89.617 -19134 9822.1 -28956 -28956 4.1713 1.6437 -1.666 7.4886e+05 2024-05-19 02:48:10,623 INFO [main.py:798]
{rank 0/64} MD step = 374200 step time: 00:00:00.360317 Performance: 32.167 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:48:16,176 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 90.105 -19246 9875.7 -29121 -29121 4.1709 1.6474 -1.6654 7.4912e+05 2024-05-19 02:48:50,797 INFO [main.py:798]
{rank 0/64} MD step = 374300 step time: 00:00:00.342614 Performance: 32.169 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:48:59,454 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 90.083 -18919 9873.2 -28792 -28792 4.1707 1.6512 -1.6649 7.4934e+05 2024-05-19 02:49:34,272 INFO [main.py:798]
{rank 0/64} MD step = 374400 step time: 00:00:00.355898 Performance: 32.171 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:49:41,231 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 90.165 -18740 9882.2 -28622 -28622 4.1693 1.6562 -1.6648 7.4958e+05 2024-05-19 02:50:15,685 INFO [main.py:798]
{rank 0/64} MD step = 374500 step time: 00:00:00.347002 Performance: 32.173 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:50:22,062 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 90.773 -19157 9948.8 -29106 -29106 4.1671 1.6604 -1.663 7.4975e+05 2024-05-19 02:50:56,523 INFO [main.py:798]
{rank 0/64} MD step = 374600 step time: 00:00:00.351431 Performance: 32.175 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:51:03,138 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 89.953 -19122 9859 -28981 -28981 4.167 1.6642 -1.6628 7.4995e+05 2024-05-19 02:51:40,846 INFO [main.py:798]
{rank 0/64} MD step = 374700 step time: 00:00:00.366527 Performance: 32.176 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:51:51,599 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 89.847 -18985 9847.3 -28832 -28832 4.167 1.6677 -1.6628 7.5015e+05 2024-05-19 02:52:26,337 INFO [main.py:798]
{rank 0/64} MD step = 374800 step time: 00:00:00.366115 Performance: 32.177 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:52:34,222 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 89.219 -19000 9778.5 -28778 -28778 4.1659 1.6726 -1.6624 7.5037e+05 2024-05-19 02:53:10,419 INFO [main.py:798]
{rank 0/64} MD step = 374900 step time: 00:00:00.353380 Performance: 32.179 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:53:18,269 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 89.498 -18944 9809.1 -28753 -28753 4.1638 1.6762 -1.6604 7.5061e+05 2024-05-19 02:53:52,391 INFO [main.py:798]
{rank 0/64} MD step = 375000 step time: 00:00:00.347590 Performance: 32.181 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:53:58,971 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 90.582 -18845 9927.9 -28773 -28773 4.1646 1.6809 -1.6574 7.5084e+05 2024-05-19 02:54:33,361 INFO [main.py:798]
{rank 0/64} MD step = 375100 step time: 00:00:00.349882 Performance: 32.183 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-19 02:54:43,472 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 90.327 -18882 9900 -28782 -28782 4.1661 1.6844 -1.6563 7.5108e+05 2024-05-19 02:55:18,697 INFO [main.py:798]
{rank 0/64} MD step = 375200 step time: 00:00:00.372178 Performance: 32.184 ns/day 0.746 hours/ns 1.863 steps/s 2024-05-19 02:55:31,008 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 90.742 -18751 9945.4 -28697 -28697 4.1654 1.6882 -1.6571 7.5126e+05 2024-05-19 02:56:06,855 INFO [main.py:798]
{rank 0/64} MD step = 375300 step time: 00:00:00.384244 Performance: 32.185 ns/day 0.746 hours/ns 1.863 steps/s 2024-05-19 02:56:13,569 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 91.101 -18603 9984.7 -28588 -28588 4.1641 1.6944 -1.6561 7.5149e+05 2024-05-19 02:56:48,198 INFO [main.py:798]
{rank 0/64} MD step = 375400 step time: 00:00:00.341986 Performance: 32.187 ns/day 0.746 hours/ns 1.863 steps/s 2024-05-19 02:56:55,859 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 90.387 -18826 9906.5 -28732 -28732 4.1643 1.698 -1.6554 7.5167e+05 2024-05-19 02:57:31,009 INFO [main.py:798]
{rank 0/64} MD step = 375500 step time: 00:00:00.351005 Performance: 32.189 ns/day 0.746 hours/ns 1.863 steps/s 2024-05-19 02:57:36,507 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 89.923 -18747 9855.7 -28602 -28602 4.165 1.7016 -1.6536 7.5185e+05 2024-05-19 02:58:11,253 INFO [main.py:798]
{rank 0/64} MD step = 375600 step time: 00:00:00.349184 Performance: 32.191 ns/day 0.746 hours/ns 1.863 steps/s 2024-05-19 02:58:16,778 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 89.627 -19029 9823.3 -28852 -28852 4.1645 1.7055 -1.6536 7.5205e+05 2024-05-19 02:58:52,068 INFO [main.py:798]
{rank 0/64} MD step = 375700 step time: 00:00:00.345275 Performance: 32.193 ns/day 0.746 hours/ns 1.863 steps/s 2024-05-19 02:58:58,985 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 88.93 -19011 9746.9 -28757 -28757 4.1649 1.7092 -1.6517 7.5227e+05 2024-05-19 02:59:33,525 INFO [main.py:798]
{rank 0/64} MD step = 375800 step time: 00:00:00.337847 Performance: 32.195 ns/day 0.745 hours/ns 1.863 steps/s 2024-05-19 02:59:40,480 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 88.975 -18922 9751.7 -28674 -28674 4.1638 1.7134 -1.6511 7.5244e+05 2024-05-19 03:00:15,012 INFO [main.py:798]
{rank 0/64} MD step = 375900 step time: 00:00:00.336646 Performance: 32.197 ns/day 0.745 hours/ns 1.863 steps/s 2024-05-19 03:00:20,676 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 89.688 -18890 9830 -28720 -28720 4.1629 1.7173 -1.6497 7.5263e+05 2024-05-19 03:00:55,166 INFO [main.py:798]
{rank 0/64} MD step = 376000 step time: 00:00:00.358665 Performance: 32.199 ns/day 0.745 hours/ns 1.863 steps/s 2024-05-19 03:01:00,574 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 90.584 -18875 9928.2 -28803 -28803 4.1619 1.7193 -1.6482 7.5284e+05 2024-05-19 03:01:35,382 INFO [main.py:798]
{rank 0/64} MD step = 376100 step time: 00:00:00.349968 Performance: 32.201 ns/day 0.745 hours/ns 1.863 steps/s 2024-05-19 03:01:42,891 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 90.144 -18854 9879.9 -28734 -28734 4.162 1.7221 -1.6478 7.53e+05 2024-05-19 03:02:17,631 INFO [main.py:798]
{rank 0/64} MD step = 376200 step time: 00:00:00.336428 Performance: 32.203 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:02:23,915 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 90.583 -18693 9928 -28621 -28621 4.162 1.7273 -1.6466 7.5324e+05 2024-05-19 03:02:59,264 INFO [main.py:798]
{rank 0/64} MD step = 376300 step time: 00:00:00.351921 Performance: 32.205 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:03:06,040 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 90.06 -18621 9870.7 -28492 -28492 4.1618 1.73 -1.6452 7.5342e+05 2024-05-19 03:03:40,635 INFO [main.py:798]
{rank 0/64} MD step = 376400 step time: 00:00:00.350246 Performance: 32.207 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:03:47,171 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 89.84 -18909 9846.6 -28756 -28756 4.1628 1.7322 -1.6434 7.5362e+05 2024-05-19 03:04:21,874 INFO [main.py:798]
{rank 0/64} MD step = 376500 step time: 00:00:00.363859 Performance: 32.209 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:04:27,086 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 90.311 -18863 9898.2 -28762 -28762 4.162 1.7357 -1.6424 7.5378e+05 2024-05-19 03:05:02,968 INFO [main.py:798]
{rank 0/64} MD step = 376600 step time: 00:00:00.369892 Performance: 32.211 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:05:08,936 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 89.281 -19070 9785.4 -28855 -28855 4.1619 1.7383 -1.6416 7.5397e+05 2024-05-19 03:05:43,372 INFO [main.py:798]
{rank 0/64} MD step = 376700 step time: 00:00:00.353667 Performance: 32.213 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:05:50,404 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 90.168 -18920 9882.5 -28802 -28802 4.1595 1.7396 -1.6406 7.5416e+05 2024-05-19 03:06:25,222 INFO [main.py:798]
{rank 0/64} MD step = 376800 step time: 00:00:00.338306 Performance: 32.215 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:06:39,045 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 89.975 -18881 9861.4 -28742 -28742 4.1591 1.7424 -1.6412 7.5436e+05 2024-05-19 03:07:17,173 INFO [main.py:798]
{rank 0/64} MD step = 376900 step time: 00:00:00.353405 Performance: 32.215 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:07:23,866 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 89.855 -18871 9848.2 -28720 -28720 4.1605 1.7456 -1.6408 7.5457e+05 2024-05-19 03:07:58,224 INFO [main.py:798]
{rank 0/64} MD step = 377000 step time: 00:00:00.345320 Performance: 32.217 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-19 03:08:06,060 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 89.62 -18958 9822.5 -28781 -28781 4.161 1.7473 -1.641 7.5484e+05 2024-05-19 03:08:40,522 INFO [main.py:798]
{rank 0/64} MD step = 377100 step time: 00:00:00.351874 Performance: 32.219 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:08:49,755 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 89.535 -19028 9813.2 -28841 -28841 4.1606 1.7506 -1.6418 7.5503e+05 2024-05-19 03:09:24,732 INFO [main.py:798]
{rank 0/64} MD step = 377200 step time: 00:00:00.364831 Performance: 32.220 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:09:31,673 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 90.227 -18666 9889 -28555 -28555 4.1601 1.7535 -1.6411 7.5529e+05 2024-05-19 03:10:06,492 INFO [main.py:798]
{rank 0/64} MD step = 377300 step time: 00:00:00.348209 Performance: 32.222 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:10:13,720 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 90.209 -18667 9887 -28554 -28554 4.1607 1.7558 -1.6405 7.5551e+05 2024-05-19 03:10:48,466 INFO [main.py:798]
{rank 0/64} MD step = 377400 step time: 00:00:00.348371 Performance: 32.224 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:10:55,337 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 89.871 -18890 9850 -28740 -28740 4.1586 1.7589 -1.641 7.5568e+05 2024-05-19 03:11:30,929 INFO [main.py:798]
{rank 0/64} MD step = 377500 step time: 00:00:00.352869 Performance: 32.226 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:11:37,089 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 91.837 -18609 10065 -28674 -28674 4.1586 1.7621 -1.6419 7.559e+05 2024-05-19 03:12:11,578 INFO [main.py:798]
{rank 0/64} MD step = 377600 step time: 00:00:00.346346 Performance: 32.228 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:12:17,538 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 89.826 -18718 9845.1 -28563 -28563 4.157 1.7654 -1.6429 7.5609e+05 2024-05-19 03:12:51,636 INFO [main.py:798]
{rank 0/64} MD step = 377700 step time: 00:00:00.353772 Performance: 32.230 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:12:57,823 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 89.194 -18914 9775.8 -28690 -28690 4.1565 1.769 -1.6418 7.5626e+05 2024-05-19 03:13:31,770 INFO [main.py:798]
{rank 0/64} MD step = 377800 step time: 00:00:00.339492 Performance: 32.232 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:13:37,716 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 91.816 -18717 10063 -28780 -28780 4.1554 1.7708 -1.642 7.5643e+05 2024-05-19 03:14:13,037 INFO [main.py:798]
{rank 0/64} MD step = 377900 step time: 00:00:00.385119 Performance: 32.234 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-19 03:14:19,231 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 90.03 -18855 9867.4 -28722 -28722 4.1561 1.7717 -1.6425 7.5666e+05 2024-05-19 03:14:54,112 INFO [main.py:798]
{rank 0/64} MD step = 378000 step time: 00:00:00.346144 Performance: 32.236 ns/day 0.745 hours/ns 1.866 steps/s 2024-05-19 03:15:00,803 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 89.897 -18849 9852.8 -28702 -28702 4.1551 1.7737 -1.6437 7.5685e+05 2024-05-19 03:15:35,390 INFO [main.py:798]
{rank 0/64} MD step = 378100 step time: 00:00:00.351323 Performance: 32.238 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-19 03:15:43,690 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 90.801 -18931 9951.9 -28883 -28883 4.1542 1.7736 -1.6453 7.5703e+05 2024-05-19 03:16:19,196 INFO [main.py:798]
{rank 0/64} MD step = 378200 step time: 00:00:00.350808 Performance: 32.240 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-19 03:16:25,405 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 90.361 -19200 9903.7 -29104 -29104 4.1526 1.7744 -1.6461 7.572e+05 2024-05-19 03:17:00,927 INFO [main.py:798]
{rank 0/64} MD step = 378300 step time: 00:00:00.365254 Performance: 32.242 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-19 03:17:07,115 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 89.033 -18904 9758.1 -28662 -28662 4.1523 1.7764 -1.6476 7.575e+05 2024-05-19 03:17:41,406 INFO [main.py:798]
{rank 0/64} MD step = 378400 step time: 00:00:00.351903 Performance: 32.244 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-19 03:17:47,740 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 91.218 -18715 9997.6 -28712 -28712 4.1531 1.7791 -1.6475 7.5771e+05 2024-05-19 03:18:23,274 INFO [main.py:798]
{rank 0/64} MD step = 378500 step time: 00:00:00.358175 Performance: 32.246 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-19 03:18:28,978 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 89.728 -18857 9834.4 -28691 -28691 4.1544 1.7804 -1.6472 7.5788e+05 2024-05-19 03:19:04,325 INFO [main.py:798]
{rank 0/64} MD step = 378600 step time: 00:00:00.381515 Performance: 32.248 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-19 03:19:10,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378600 75720 90.893 -18887 9961.9 -28849 -28849 4.1547 1.7809 -1.6463 7.5806e+05 2024-05-19 03:19:44,970 INFO [main.py:798]
{rank 0/64} MD step = 378700 step time: 00:00:00.349851 Performance: 32.250 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-19 03:19:48,836 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 89.245 -18977 9781.4 -28758 -28758 4.1545 1.78 -1.6454 7.5828e+05 2024-05-19 03:20:25,054 INFO [main.py:798]
{rank 0/64} MD step = 378800 step time: 00:00:00.352435 Performance: 32.252 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-19 03:20:30,582 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 89.718 -18944 9833.2 -28777 -28777 4.1548 1.7812 -1.6434 7.5845e+05 2024-05-19 03:21:05,306 INFO [main.py:798]
{rank 0/64} MD step = 378900 step time: 00:00:00.330081 Performance: 32.254 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:21:16,246 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 89.268 -18883 9783.9 -28667 -28667 4.1554 1.7823 -1.6428 7.5865e+05 2024-05-19 03:21:50,184 INFO [main.py:798]
{rank 0/64} MD step = 379000 step time: 00:00:00.331153 Performance: 32.255 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:21:56,355 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 89.471 -18915 9806.1 -28721 -28721 4.156 1.7846 -1.6417 7.5884e+05 2024-05-19 03:22:32,872 INFO [main.py:798]
{rank 0/64} MD step = 379100 step time: 00:00:00.330020 Performance: 32.257 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:22:38,999 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 91.208 -18844 9996.5 -28840 -28840 4.1572 1.7858 -1.6423 7.5897e+05 2024-05-19 03:23:15,596 INFO [main.py:798]
{rank 0/64} MD step = 379200 step time: 00:00:00.383421 Performance: 32.259 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:23:22,411 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 89.981 -18787 9862 -28649 -28649 4.1563 1.786 -1.644 7.5918e+05 2024-05-19 03:23:56,598 INFO [main.py:798]
{rank 0/64} MD step = 379300 step time: 00:00:00.338357 Performance: 32.261 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:24:02,463 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 91.128 -18767 9987.8 -28755 -28755 4.1542 1.7868 -1.6444 7.5939e+05 2024-05-19 03:24:37,274 INFO [main.py:798]
{rank 0/64} MD step = 379400 step time: 00:00:00.357163 Performance: 32.263 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:24:44,568 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 90.82 -18874 9954 -28828 -28828 4.1541 1.787 -1.646 7.5955e+05 2024-05-19 03:25:19,077 INFO [main.py:798]
{rank 0/64} MD step = 379500 step time: 00:00:00.346470 Performance: 32.265 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:25:25,186 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 89.126 -19233 9768.3 -29001 -29001 4.1534 1.7885 -1.6443 7.5977e+05 2024-05-19 03:25:59,664 INFO [main.py:798]
{rank 0/64} MD step = 379600 step time: 00:00:00.354268 Performance: 32.267 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:26:08,669 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 90.346 -19051 9902.1 -28953 -28953 4.1542 1.7885 -1.6447 7.5998e+05 2024-05-19 03:26:43,408 INFO [main.py:798]
{rank 0/64} MD step = 379700 step time: 00:00:00.348295 Performance: 32.268 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:26:50,980 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 89.069 -18941 9762 -28703 -28703 4.1542 1.7903 -1.6453 7.6021e+05 2024-05-19 03:27:25,593 INFO [main.py:798]
{rank 0/64} MD step = 379800 step time: 00:00:00.352695 Performance: 32.270 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-19 03:27:31,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379800 75960 90.059 -18959 9870.6 -28830 -28830 4.1532 1.7894 -1.6452 7.6039e+05 2024-05-19 03:28:05,757 INFO [main.py:798]
{rank 0/64} MD step = 379900 step time: 00:00:00.352659 Performance: 32.272 ns/day 0.744 hours/ns 1.868 steps/s 2024-05-19 03:28:13,027 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 89.465 -19028 9805.5 -28834 -28834 4.153 1.7879 -1.6438 7.6063e+05 2024-05-19 03:28:47,677 INFO [main.py:798]
{rank 0/64} MD step = 380000 step time: 00:00:00.350834 Performance: 32.274 ns/day 0.744 hours/ns 1.868 steps/s 2024-05-19 03:28:53,881 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 88.985 -19113 9752.9 -28866 -28866 4.1516 1.7871 -1.6448 7.6086e+05 2024-05-19 03:29:28,781 INFO [main.py:798]
{rank 0/64} MD step = 380100 step time: 00:00:00.358066 Performance: 32.276 ns/day 0.744 hours/ns 1.868 steps/s 2024-05-19 03:29:34,644 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 90.121 -19171 9877.3 -29049 -29049 4.1527 1.7873 -1.645 7.6104e+05 2024-05-19 03:30:09,056 INFO [main.py:798]
{rank 0/64} MD step = 380200 step time: 00:00:00.352327 Performance: 32.278 ns/day 0.744 hours/ns 1.868 steps/s 2024-05-19 03:30:16,930 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 90.277 -18980 9894.4 -28874 -28874 4.1527 1.7863 -1.6442 7.6128e+05 2024-05-19 03:30:51,647 INFO [main.py:798]
{rank 0/64} MD step = 380300 step time: 00:00:00.361909 Performance: 32.280 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:30:57,952 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 89.709 -19067 9832.2 -28899 -28899 4.1553 1.7863 -1.6451 7.6145e+05 2024-05-19 03:31:32,258 INFO [main.py:798]
{rank 0/64} MD step = 380400 step time: 00:00:00.360240 Performance: 32.282 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:31:37,920 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 89.182 -19003 9774.4 -28777 -28777 4.1558 1.7884 -1.6459 7.6168e+05 2024-05-19 03:32:15,217 INFO [main.py:798]
{rank 0/64} MD step = 380500 step time: 00:00:00.367168 Performance: 32.284 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:32:23,095 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 90.183 -18786 9884.2 -28670 -28670 4.1563 1.7889 -1.646 7.6189e+05 2024-05-19 03:32:57,865 INFO [main.py:798]
{rank 0/64} MD step = 380600 step time: 00:00:00.352159 Performance: 32.285 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:33:03,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380600 76120 89.64 -19043 9824.7 -28868 -28868 4.157 1.7894 -1.646 7.6206e+05 2024-05-19 03:33:38,516 INFO [main.py:798]
{rank 0/64} MD step = 380700 step time: 00:00:00.348003 Performance: 32.287 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:33:45,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380700 76140 90.174 -18703 9883.2 -28586 -28586 4.1578 1.791 -1.6486 7.6229e+05 2024-05-19 03:34:19,541 INFO [main.py:798]
{rank 0/64} MD step = 380800 step time: 00:00:00.334565 Performance: 32.289 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:34:26,755 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 90.657 -18629 9936.2 -28565 -28565 4.1581 1.7916 -1.6502 7.6247e+05 2024-05-19 03:35:01,309 INFO [main.py:798]
{rank 0/64} MD step = 380900 step time: 00:00:00.353495 Performance: 32.291 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:35:27,480 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 90.176 -18820 9883.4 -28703 -28703 4.1555 1.7918 -1.6506 7.6269e+05 2024-05-19 03:36:04,452 INFO [main.py:798]
{rank 0/64} MD step = 381000 step time: 00:00:00.351748 Performance: 32.290 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:36:16,759 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 89.957 -18794 9859.4 -28653 -28653 4.1538 1.7908 -1.6493 7.6286e+05 2024-05-19 03:36:53,007 INFO [main.py:798]
{rank 0/64} MD step = 381100 step time: 00:00:00.345864 Performance: 32.291 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:37:48,388 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 89.587 -18894 9818.8 -28713 -28713 4.1554 1.7934 -1.6503 7.6307e+05 2024-05-19 03:38:23,334 INFO [main.py:798]
{rank 0/64} MD step = 381200 step time: 00:00:00.352667 Performance: 32.285 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:38:30,108 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 90.105 -18811 9875.6 -28687 -28687 4.1551 1.793 -1.6506 7.6325e+05 2024-05-19 03:39:04,421 INFO [main.py:798]
{rank 0/64} MD step = 381300 step time: 00:00:00.337152 Performance: 32.287 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:39:11,282 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 90.138 -18935 9879.3 -28814 -28814 4.1551 1.7942 -1.6505 7.6341e+05 2024-05-19 03:39:46,140 INFO [main.py:798]
{rank 0/64} MD step = 381400 step time: 00:00:00.349439 Performance: 32.289 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:40:34,418 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 90.789 -18672 9950.5 -28623 -28623 4.1533 1.7947 -1.6512 7.6365e+05 2024-05-19 03:41:10,601 INFO [main.py:798]
{rank 0/64} MD step = 381500 step time: 00:00:00.375623 Performance: 32.284 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:41:19,271 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 91.094 -18540 9984 -28524 -28524 4.1523 1.7965 -1.6526 7.6383e+05 2024-05-19 03:41:53,279 INFO [main.py:798]
{rank 0/64} MD step = 381600 step time: 00:00:00.354606 Performance: 32.285 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:42:04,211 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 91.131 -18669 9988.1 -28657 -28657 4.1513 1.798 -1.6526 7.6401e+05 2024-05-19 03:42:38,874 INFO [main.py:798]
{rank 0/64} MD step = 381700 step time: 00:00:00.337315 Performance: 32.287 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-19 03:42:46,740 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 90.502 -18817 9919.1 -28736 -28736 4.1498 1.798 -1.6536 7.6417e+05 2024-05-19 03:43:21,451 INFO [main.py:798]
{rank 0/64} MD step = 381800 step time: 00:00:00.373544 Performance: 32.288 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:43:27,072 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 89.272 -19120 9784.3 -28904 -28904 4.1485 1.8003 -1.6552 7.6435e+05 2024-05-19 03:44:03,443 INFO [main.py:798]
{rank 0/64} MD step = 381900 step time: 00:00:00.373537 Performance: 32.290 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:44:09,317 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 89.483 -19041 9807.4 -28848 -28848 4.1496 1.8019 -1.6565 7.6455e+05 2024-05-19 03:44:43,894 INFO [main.py:798]
{rank 0/64} MD step = 382000 step time: 00:00:00.343756 Performance: 32.292 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:44:50,031 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 89.533 -18950 9812.9 -28763 -28763 4.1513 1.8016 -1.658 7.6474e+05 2024-05-19 03:45:24,157 INFO [main.py:798]
{rank 0/64} MD step = 382100 step time: 00:00:00.348576 Performance: 32.294 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:45:29,735 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 89.979 -18800 9861.9 -28661 -28661 4.1511 1.8017 -1.6583 7.65e+05 2024-05-19 03:46:05,301 INFO [main.py:798]
{rank 0/64} MD step = 382200 step time: 00:00:00.364998 Performance: 32.296 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:46:11,328 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 89.908 -18942 9854 -28796 -28796 4.1525 1.802 -1.6597 7.6517e+05 2024-05-19 03:46:45,917 INFO [main.py:798]
{rank 0/64} MD step = 382300 step time: 00:00:00.346420 Performance: 32.298 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:46:52,103 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 89.307 -19206 9788.2 -28994 -28994 4.1525 1.8016 -1.6601 7.6534e+05 2024-05-19 03:47:26,709 INFO [main.py:798]
{rank 0/64} MD step = 382400 step time: 00:00:00.367803 Performance: 32.300 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:47:33,705 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 89.487 -18878 9807.9 -28685 -28685 4.1528 1.8035 -1.6611 7.6562e+05 2024-05-19 03:48:08,568 INFO [main.py:798]
{rank 0/64} MD step = 382500 step time: 00:00:00.343658 Performance: 32.302 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:48:17,594 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 89.014 -18906 9756 -28662 -28662 4.1528 1.8048 -1.6618 7.6581e+05 2024-05-19 03:48:52,616 INFO [main.py:798]
{rank 0/64} MD step = 382600 step time: 00:00:00.354895 Performance: 32.304 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-19 03:48:57,223 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 89.876 -19049 9850.5 -28900 -28900 4.1525 1.8062 -1.662 7.6598e+05 2024-05-19 03:49:34,032 INFO [main.py:798]
{rank 0/64} MD step = 382700 step time: 00:00:00.353033 Performance: 32.306 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:49:42,942 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 89.624 -19035 9823 -28858 -28858 4.1527 1.8067 -1.6603 7.6616e+05 2024-05-19 03:50:18,510 INFO [main.py:798]
{rank 0/64} MD step = 382800 step time: 00:00:00.381184 Performance: 32.307 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:50:23,364 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 91.098 -18928 9984.4 -28912 -28912 4.1526 1.8056 -1.6604 7.6639e+05 2024-05-19 03:50:58,965 INFO [main.py:798]
{rank 0/64} MD step = 382900 step time: 00:00:00.352595 Performance: 32.309 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:51:04,334 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 89.803 -19149 9842.5 -28991 -28991 4.1527 1.805 -1.6609 7.666e+05 2024-05-19 03:51:39,793 INFO [main.py:798]
{rank 0/64} MD step = 383000 step time: 00:00:00.356755 Performance: 32.311 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:51:46,073 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 89.995 -18887 9863.6 -28751 -28751 4.1531 1.8039 -1.6614 7.6684e+05 2024-05-19 03:52:21,725 INFO [main.py:798]
{rank 0/64} MD step = 383100 step time: 00:00:00.365093 Performance: 32.313 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:52:28,170 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 89.136 -19192 9769.4 -28961 -28961 4.1555 1.8028 -1.6622 7.6701e+05 2024-05-19 03:53:03,773 INFO [main.py:798]
{rank 0/64} MD step = 383200 step time: 00:00:00.381087 Performance: 32.315 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:53:10,463 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 90.802 -18867 9952 -28819 -28819 4.1555 1.8028 -1.6632 7.672e+05 2024-05-19 03:53:44,718 INFO [main.py:798]
{rank 0/64} MD step = 383300 step time: 00:00:00.345813 Performance: 32.317 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:53:50,661 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 88.956 -18937 9749.7 -28686 -28686 4.1568 1.8018 -1.6642 7.674e+05 2024-05-19 03:54:25,144 INFO [main.py:798]
{rank 0/64} MD step = 383400 step time: 00:00:00.350469 Performance: 32.319 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:54:31,327 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 89.878 -18819 9850.8 -28670 -28670 4.1567 1.8011 -1.6634 7.6759e+05 2024-05-19 03:55:05,507 INFO [main.py:798]
{rank 0/64} MD step = 383500 step time: 00:00:00.352859 Performance: 32.321 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-19 03:55:11,787 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 89.999 -18937 9864 -28801 -28801 4.1556 1.8025 -1.6645 7.6777e+05 2024-05-19 03:55:47,863 INFO [main.py:798]
{rank 0/64} MD step = 383600 step time: 00:00:00.353315 Performance: 32.322 ns/day 0.743 hours/ns 1.871 steps/s 2024-05-19 03:55:54,207 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 90.233 -18903 9889.7 -28792 -28792 4.1547 1.8034 -1.6652 7.6799e+05 2024-05-19 03:56:28,540 INFO [main.py:798]
{rank 0/64} MD step = 383700 step time: 00:00:00.326835 Performance: 32.324 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 03:56:38,060 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 88.804 -19009 9733 -28742 -28742 4.1539 1.8039 -1.6669 7.6821e+05 2024-05-19 03:57:13,032 INFO [main.py:798]
{rank 0/64} MD step = 383800 step time: 00:00:00.328907 Performance: 32.326 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 03:57:19,684 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 90.001 -18784 9864.2 -28648 -28648 4.1525 1.8045 -1.668 7.6841e+05 2024-05-19 03:57:54,021 INFO [main.py:798]
{rank 0/64} MD step = 383900 step time: 00:00:00.350581 Performance: 32.328 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 03:58:02,435 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 91.202 -18904 9995.9 -28900 -28900 4.1502 1.8038 -1.6688 7.6859e+05 2024-05-19 03:58:36,717 INFO [main.py:798]
{rank 0/64} MD step = 384000 step time: 00:00:00.381552 Performance: 32.330 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 03:58:43,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384000 76800 88.14 -19140 9660.3 -28800 -28800 4.1507 1.8019 -1.6688 7.6883e+05 2024-05-19 03:59:18,740 INFO [main.py:798]
{rank 0/64} MD step = 384100 step time: 00:00:00.338348 Performance: 32.331 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 03:59:24,999 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 89.331 -19389 9790.8 -29180 -29180 4.1495 1.8009 -1.6702 7.6901e+05 2024-05-19 03:59:59,987 INFO [main.py:798]
{rank 0/64} MD step = 384200 step time: 00:00:00.360454 Performance: 32.333 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 04:00:04,971 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 90.254 -19040 9892 -28932 -28932 4.1489 1.7993 -1.67 7.6928e+05 2024-05-19 04:00:39,706 INFO [main.py:798]
{rank 0/64} MD step = 384300 step time: 00:00:00.333697 Performance: 32.335 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 04:00:45,591 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 90.682 -18939 9938.9 -28878 -28878 4.1489 1.7987 -1.67 7.6945e+05 2024-05-19 04:01:19,915 INFO [main.py:798]
{rank 0/64} MD step = 384400 step time: 00:00:00.333376 Performance: 32.338 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 04:01:26,115 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 89.955 -18927 9859.2 -28786 -28786 4.1478 1.7996 -1.6686 7.6969e+05 2024-05-19 04:02:00,774 INFO [main.py:798]
{rank 0/64} MD step = 384500 step time: 00:00:00.331032 Performance: 32.340 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-19 04:02:07,862 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 90.437 -18929 9912 -28841 -28841 4.1477 1.7985 -1.6681 7.6988e+05 2024-05-19 04:02:43,007 INFO [main.py:798]
{rank 0/64} MD step = 384600 step time: 00:00:00.331532 Performance: 32.341 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:02:47,586 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 90.932 -18856 9966.3 -28822 -28822 4.1486 1.7963 -1.6689 7.701e+05 2024-05-19 04:03:25,284 INFO [main.py:798]
{rank 0/64} MD step = 384700 step time: 00:00:00.330235 Performance: 32.343 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:03:38,154 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 91.427 -19038 10021 -29059 -29059 4.149 1.7953 -1.6706 7.7029e+05 2024-05-19 04:04:12,696 INFO [main.py:798]
{rank 0/64} MD step = 384800 step time: 00:00:00.330080 Performance: 32.344 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:04:18,553 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 89.451 -19086 9803.9 -28890 -28890 4.15 1.7943 -1.6721 7.7047e+05 2024-05-19 04:04:53,021 INFO [main.py:798]
{rank 0/64} MD step = 384900 step time: 00:00:00.339174 Performance: 32.346 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:05:00,301 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 90.2 -18772 9886 -28658 -28658 4.1527 1.794 -1.6732 7.7073e+05 2024-05-19 04:05:35,244 INFO [main.py:798]
{rank 0/64} MD step = 385000 step time: 00:00:00.332387 Performance: 32.348 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:05:40,463 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 89.202 -19026 9776.6 -28803 -28803 4.1527 1.7927 -1.675 7.709e+05 2024-05-19 04:06:15,794 INFO [main.py:798]
{rank 0/64} MD step = 385100 step time: 00:00:00.329202 Performance: 32.350 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:06:21,985 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 89.65 -18973 9825.8 -28799 -28799 4.1521 1.7935 -1.6756 7.7108e+05 2024-05-19 04:06:57,028 INFO [main.py:798]
{rank 0/64} MD step = 385200 step time: 00:00:00.356334 Performance: 32.352 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:07:03,836 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 90.133 -18914 9878.7 -28792 -28792 4.1515 1.7952 -1.6757 7.7128e+05 2024-05-19 04:07:38,493 INFO [main.py:798]
{rank 0/64} MD step = 385300 step time: 00:00:00.340128 Performance: 32.354 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:07:43,611 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 90.118 -19223 9877 -29100 -29100 4.1507 1.7973 -1.6764 7.7146e+05 2024-05-19 04:08:18,854 INFO [main.py:798]
{rank 0/64} MD step = 385400 step time: 00:00:00.340347 Performance: 32.356 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-19 04:08:25,568 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 90.969 -18837 9970.3 -28807 -28807 4.1499 1.7983 -1.6779 7.7171e+05 2024-05-19 04:09:00,044 INFO [main.py:798]
{rank 0/64} MD step = 385500 step time: 00:00:00.350973 Performance: 32.358 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-19 04:09:12,299 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 89.69 -19082 9830.2 -28913 -28913 4.1498 1.7989 -1.6796 7.7193e+05 2024-05-19 04:09:47,350 INFO [main.py:798]
{rank 0/64} MD step = 385600 step time: 00:00:00.363040 Performance: 32.359 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-19 04:09:52,997 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 89.757 -19201 9837.4 -29039 -29039 4.1513 1.8015 -1.6803 7.7216e+05 2024-05-19 04:10:28,900 INFO [main.py:798]
{rank 0/64} MD step = 385700 step time: 00:00:00.349240 Performance: 32.360 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-19 04:10:35,027 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 90.427 -19049 9910.9 -28960 -28960 4.1513 1.8009 -1.6809 7.7235e+05 2024-05-19 04:11:11,863 INFO [main.py:798]
{rank 0/64} MD step = 385800 step time: 00:00:00.378910 Performance: 32.362 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-19 04:11:22,871 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 90.277 -19262 9894.5 -29157 -29157 4.1526 1.7992 -1.6814 7.7252e+05 2024-05-19 04:11:57,901 INFO [main.py:798]
{rank 0/64} MD step = 385900 step time: 00:00:00.334576 Performance: 32.363 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-19 04:12:05,960 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 90.147 -19027 9880.3 -28908 -28908 4.1537 1.7991 -1.681 7.7278e+05 2024-05-19 04:12:40,481 INFO [main.py:798]
{rank 0/64} MD step = 386000 step time: 00:00:00.332417 Performance: 32.365 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-19 04:12:47,317 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 90.541 -19091 9923.4 -29015 -29015 4.1557 1.799 -1.6808 7.7296e+05 2024-05-19 04:13:22,269 INFO [main.py:798]
{rank 0/64} MD step = 386100 step time: 00:00:00.328360 Performance: 32.367 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-19 04:13:28,620 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 90.926 -18897 9965.6 -28863 -28863 4.1561 1.7974 -1.6833 7.7319e+05 2024-05-19 04:14:03,500 INFO [main.py:798]
{rank 0/64} MD step = 386200 step time: 00:00:00.329991 Performance: 32.369 ns/day 0.741 hours/ns 1.873 steps/s 2024-05-19 04:14:09,642 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 88.721 -19347 9724 -29071 -29071 4.1579 1.7953 -1.6839 7.7337e+05 2024-05-19 04:14:44,381 INFO [main.py:798]
{rank 0/64} MD step = 386300 step time: 00:00:00.341234 Performance: 32.371 ns/day 0.741 hours/ns 1.873 steps/s 2024-05-19 04:14:50,498 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 91.315 -18913 10008 -28921 -28921 4.1592 1.7944 -1.6842 7.7362e+05 2024-05-19 04:15:26,421 INFO [main.py:798]
{rank 0/64} MD step = 386400 step time: 00:00:00.333327 Performance: 32.372 ns/day 0.741 hours/ns 1.873 steps/s 2024-05-19 04:15:33,326 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 91.042 -18923 9978.3 -28902 -28902 4.1621 1.7955 -1.685 7.7385e+05 2024-05-19 04:16:08,124 INFO [main.py:798]
{rank 0/64} MD step = 386500 step time: 00:00:00.343367 Performance: 32.374 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:16:14,074 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 90.047 -19080 9869.3 -28949 -28949 4.1634 1.7949 -1.6859 7.7402e+05 2024-05-19 04:16:49,360 INFO [main.py:798]
{rank 0/64} MD step = 386600 step time: 00:00:00.334268 Performance: 32.376 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:16:54,876 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 89.74 -19416 9835.6 -29252 -29252 4.165 1.7928 -1.6869 7.7424e+05 2024-05-19 04:17:32,222 INFO [main.py:798]
{rank 0/64} MD step = 386700 step time: 00:00:00.337518 Performance: 32.378 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:17:37,433 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 90.348 -19223 9902.3 -29126 -29126 4.1653 1.7933 -1.686 7.7444e+05 2024-05-19 04:18:12,885 INFO [main.py:798]
{rank 0/64} MD step = 386800 step time: 00:00:00.328028 Performance: 32.380 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:18:18,315 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 89.235 -19031 9780.3 -28812 -28812 4.1653 1.7929 -1.6874 7.7467e+05 2024-05-19 04:18:54,808 INFO [main.py:798]
{rank 0/64} MD step = 386900 step time: 00:00:00.344687 Performance: 32.382 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:19:02,075 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 91.707 -19032 10051 -29084 -29084 4.1649 1.7932 -1.6882 7.7482e+05 2024-05-19 04:19:36,755 INFO [main.py:798]
{rank 0/64} MD step = 387000 step time: 00:00:00.348230 Performance: 32.383 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:19:44,143 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 90.917 -19012 9964.6 -28977 -28977 4.1641 1.7931 -1.6876 7.7503e+05 2024-05-19 04:20:20,160 INFO [main.py:798]
{rank 0/64} MD step = 387100 step time: 00:00:00.339650 Performance: 32.385 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:20:30,545 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 90.286 -19235 9895.5 -29130 -29130 4.1635 1.7938 -1.6895 7.7524e+05 2024-05-19 04:21:05,850 INFO [main.py:798]
{rank 0/64} MD step = 387200 step time: 00:00:00.329091 Performance: 32.386 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:21:12,789 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 90.522 -19054 9921.3 -28975 -28975 4.1653 1.7953 -1.6909 7.7544e+05 2024-05-19 04:21:47,573 INFO [main.py:798]
{rank 0/64} MD step = 387300 step time: 00:00:00.334227 Performance: 32.388 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:21:53,864 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 90.103 -19434 9875.4 -29309 -29309 4.1663 1.7954 -1.6929 7.7561e+05 2024-05-19 04:22:30,443 INFO [main.py:798]
{rank 0/64} MD step = 387400 step time: 00:00:00.340506 Performance: 32.390 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-19 04:22:36,093 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 89.104 -19404 9766 -29170 -29170 4.1676 1.7938 -1.6944 7.7579e+05 2024-05-19 04:23:10,996 INFO [main.py:798]
{rank 0/64} MD step = 387500 step time: 00:00:00.352993 Performance: 32.392 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:23:16,785 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 90.737 -19211 9944.9 -29156 -29156 4.1717 1.7935 -1.6945 7.7599e+05 2024-05-19 04:23:51,248 INFO [main.py:798]
{rank 0/64} MD step = 387600 step time: 00:00:00.358823 Performance: 32.394 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:23:56,712 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 91.113 -19060 9986.1 -29046 -29046 4.1738 1.792 -1.6956 7.7618e+05 2024-05-19 04:24:30,965 INFO [main.py:798]
{rank 0/64} MD step = 387700 step time: 00:00:00.357830 Performance: 32.396 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:24:36,898 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 91.141 -19099 9989.2 -29088 -29088 4.1754 1.7898 -1.6956 7.7638e+05 2024-05-19 04:25:12,172 INFO [main.py:798]
{rank 0/64} MD step = 387800 step time: 00:00:00.361453 Performance: 32.398 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:25:17,439 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 88.816 -19425 9734.4 -29160 -29160 4.1767 1.7876 -1.6975 7.7655e+05 2024-05-19 04:25:54,321 INFO [main.py:798]
{rank 0/64} MD step = 387900 step time: 00:00:00.388937 Performance: 32.399 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:26:04,990 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 89.495 -19270 9808.8 -29078 -29078 4.1788 1.7874 -1.6983 7.7676e+05 2024-05-19 04:26:39,912 INFO [main.py:798]
{rank 0/64} MD step = 388000 step time: 00:00:00.353680 Performance: 32.401 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:26:47,135 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 90.757 -18890 9947.1 -28837 -28837 4.1805 1.7878 -1.6986 7.7697e+05 2024-05-19 04:27:21,754 INFO [main.py:798]
{rank 0/64} MD step = 388100 step time: 00:00:00.355832 Performance: 32.402 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:27:35,708 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 90.404 -19156 9908.4 -29065 -29065 4.1831 1.7869 -1.7 7.7715e+05 2024-05-19 04:28:09,837 INFO [main.py:798]
{rank 0/64} MD step = 388200 step time: 00:00:00.338825 Performance: 32.403 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:28:16,890 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 89.613 -19145 9821.7 -28967 -28967 4.1863 1.7865 -1.7024 7.7741e+05 2024-05-19 04:28:51,625 INFO [main.py:798]
{rank 0/64} MD step = 388300 step time: 00:00:00.359705 Performance: 32.405 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:28:59,226 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 89.77 -19072 9839 -28911 -28911 4.1877 1.7866 -1.7032 7.7759e+05 2024-05-19 04:29:35,008 INFO [main.py:798]
{rank 0/64} MD step = 388400 step time: 00:00:00.367801 Performance: 32.407 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:29:42,185 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 89.734 -19225 9835 -29060 -29060 4.1919 1.7855 -1.7051 7.7778e+05 2024-05-19 04:30:17,215 INFO [main.py:798]
{rank 0/64} MD step = 388500 step time: 00:00:00.352322 Performance: 32.408 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-19 04:30:25,289 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 90.141 -19144 9879.6 -29024 -29024 4.195 1.7863 -1.7067 7.7795e+05 2024-05-19 04:31:01,097 INFO [main.py:798]
{rank 0/64} MD step = 388600 step time: 00:00:00.334055 Performance: 32.410 ns/day 0.741 hours/ns 1.876 steps/s 2024-05-19 04:31:07,419 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 88.896 -19180 9743.1 -28923 -28923 4.1996 1.7844 -1.7094 7.7818e+05 2024-05-19 04:31:42,379 INFO [main.py:798]
{rank 0/64} MD step = 388700 step time: 00:00:00.331504 Performance: 32.412 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:31:48,215 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 89.783 -19140 9840.4 -28981 -28981 4.2008 1.7835 -1.7105 7.784e+05 2024-05-19 04:32:23,314 INFO [main.py:798]
{rank 0/64} MD step = 388800 step time: 00:00:00.352091 Performance: 32.414 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:32:31,332 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 90.273 -19102 9894 -28996 -28996 4.2015 1.7825 -1.7106 7.7858e+05 2024-05-19 04:33:06,425 INFO [main.py:798]
{rank 0/64} MD step = 388900 step time: 00:00:00.330382 Performance: 32.415 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:33:14,338 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 89.746 -19123 9836.2 -28959 -28959 4.2018 1.7817 -1.7111 7.7877e+05 2024-05-19 04:33:49,055 INFO [main.py:798]
{rank 0/64} MD step = 389000 step time: 00:00:00.327193 Performance: 32.417 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:33:55,472 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 90.102 -19032 9875.3 -28907 -28907 4.2032 1.7806 -1.7118 7.7898e+05 2024-05-19 04:34:30,434 INFO [main.py:798]
{rank 0/64} MD step = 389100 step time: 00:00:00.332245 Performance: 32.419 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:34:36,094 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 90.14 -19108 9879.5 -28987 -28987 4.2065 1.7787 -1.7127 7.7916e+05 2024-05-19 04:35:11,541 INFO [main.py:798]
{rank 0/64} MD step = 389200 step time: 00:00:00.330737 Performance: 32.421 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:35:19,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389200 77840 89.822 -19200 9844.6 -29045 -29045 4.2075 1.7777 -1.7115 7.7934e+05 2024-05-19 04:35:56,674 INFO [main.py:798]
{rank 0/64} MD step = 389300 step time: 00:00:00.338322 Performance: 32.422 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:36:02,672 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 90.535 -18961 9922.8 -28884 -28884 4.2076 1.7761 -1.7122 7.7956e+05 2024-05-19 04:36:37,445 INFO [main.py:798]
{rank 0/64} MD step = 389400 step time: 00:00:00.347772 Performance: 32.424 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:36:43,355 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 89.207 -18991 9777.2 -28768 -28768 4.2078 1.7743 -1.7119 7.7983e+05 2024-05-19 04:37:18,396 INFO [main.py:798]
{rank 0/64} MD step = 389500 step time: 00:00:00.342412 Performance: 32.426 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-19 04:37:22,862 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 90.525 -18904 9921.6 -28825 -28825 4.2098 1.7716 -1.7142 7.8003e+05 2024-05-19 04:37:59,008 INFO [main.py:798]
{rank 0/64} MD step = 389600 step time: 00:00:00.351287 Performance: 32.428 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:38:05,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389600 77920 90.14 -18802 9879.5 -28681 -28681 4.212 1.7698 -1.7135 7.8025e+05 2024-05-19 04:38:41,152 INFO [main.py:798]
{rank 0/64} MD step = 389700 step time: 00:00:00.359460 Performance: 32.430 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:39:19,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389700 77940 90.363 -18549 9903.8 -28453 -28453 4.2137 1.7677 -1.7144 7.8045e+05 2024-05-19 04:39:56,480 INFO [main.py:798]
{rank 0/64} MD step = 389800 step time: 00:00:00.344657 Performance: 32.426 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:40:01,116 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 90.418 -18600 9910 -28510 -28510 4.2151 1.7657 -1.7142 7.8065e+05 2024-05-19 04:40:37,150 INFO [main.py:798]
{rank 0/64} MD step = 389900 step time: 00:00:00.328355 Performance: 32.428 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:40:42,882 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 89.451 -19138 9803.9 -28942 -28942 4.2174 1.7636 -1.7144 7.8081e+05 2024-05-19 04:41:17,255 INFO [main.py:798]
{rank 0/64} MD step = 390000 step time: 00:00:00.327249 Performance: 32.430 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:41:58,072 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 89.4 -19070 9798.4 -28868 -28868 4.2197 1.7617 -1.7147 7.81e+05 2024-05-19 04:42:32,516 INFO [main.py:798]
{rank 0/64} MD step = 390100 step time: 00:00:00.375647 Performance: 32.427 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:42:39,201 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 90.533 -18732 9922.5 -28654 -28654 4.2204 1.7598 -1.7152 7.8121e+05 2024-05-19 04:43:15,008 INFO [main.py:798]
{rank 0/64} MD step = 390200 step time: 00:00:00.379389 Performance: 32.428 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:43:22,624 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 90.176 -18932 9883.4 -28815 -28815 4.2215 1.7578 -1.7161 7.814e+05 2024-05-19 04:43:57,155 INFO [main.py:798]
{rank 0/64} MD step = 390300 step time: 00:00:00.351934 Performance: 32.430 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:44:09,698 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 90.09 -18952 9874 -28826 -28826 4.2212 1.7551 -1.7149 7.8163e+05 2024-05-19 04:44:44,735 INFO [main.py:798]
{rank 0/64} MD step = 390400 step time: 00:00:00.350849 Performance: 32.431 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:44:51,860 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 89.515 -18951 9811 -28762 -28762 4.2223 1.7541 -1.7164 7.8184e+05 2024-05-19 04:45:26,507 INFO [main.py:798]
{rank 0/64} MD step = 390500 step time: 00:00:00.341345 Performance: 32.433 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:45:39,724 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 89.852 -18901 9847.9 -28749 -28749 4.2215 1.7541 -1.7149 7.8204e+05 2024-05-19 04:46:14,030 INFO [main.py:798]
{rank 0/64} MD step = 390600 step time: 00:00:00.343239 Performance: 32.434 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:46:20,154 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 91.508 -18785 10029 -28815 -28815 4.222 1.7543 -1.7168 7.8226e+05 2024-05-19 04:46:54,557 INFO [main.py:798]
{rank 0/64} MD step = 390700 step time: 00:00:00.349513 Performance: 32.436 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:47:03,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390700 78140 90.666 -18861 9937.1 -28799 -28799 4.2245 1.7522 -1.7173 7.8242e+05 2024-05-19 04:47:37,889 INFO [main.py:798]
{rank 0/64} MD step = 390800 step time: 00:00:00.343186 Performance: 32.437 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:47:49,051 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 89.88 -18925 9851 -28776 -28776 4.2254 1.7515 -1.7166 7.8264e+05 2024-05-19 04:48:22,456 INFO [main.py:798]
{rank 0/64} MD step = 390900 step time: 00:00:00.332000 Performance: 32.439 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:48:30,054 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 89.706 -19084 9831.9 -28916 -28916 4.2259 1.75 -1.7153 7.8279e+05 2024-05-19 04:49:03,094 INFO [main.py:798]
{rank 0/64} MD step = 391000 step time: 00:00:00.329363 Performance: 32.441 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:49:16,562 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 89.579 -19124 9818 -28942 -28942 4.2283 1.7494 -1.7149 7.8297e+05 2024-05-19 04:49:50,006 INFO [main.py:798]
{rank 0/64} MD step = 391100 step time: 00:00:00.333949 Performance: 32.442 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-19 04:49:58,117 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 90.609 -18837 9930.8 -28768 -28768 4.2274 1.7487 -1.7175 7.8319e+05 2024-05-19 04:50:31,219 INFO [main.py:798]
{rank 0/64} MD step = 391200 step time: 00:00:00.340765 Performance: 32.443 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-19 04:50:37,826 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 90.669 -19066 9937.4 -29003 -29003 4.228 1.7475 -1.7181 7.8337e+05 2024-05-19 04:51:11,006 INFO [main.py:798]
{rank 0/64} MD step = 391300 step time: 00:00:00.339564 Performance: 32.446 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-19 04:51:20,720 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 90.675 -18922 9938.1 -28860 -28860 4.2283 1.7469 -1.7173 7.8356e+05 2024-05-19 04:51:53,503 INFO [main.py:798]
{rank 0/64} MD step = 391400 step time: 00:00:00.333379 Performance: 32.447 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-19 04:51:58,696 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 88.881 -19128 9741.4 -28869 -28869 4.2263 1.7469 -1.7188 7.8379e+05 2024-05-19 04:52:32,993 INFO [main.py:798]
{rank 0/64} MD step = 391500 step time: 00:00:00.332045 Performance: 32.449 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-19 04:52:39,858 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 89.708 -19132 9832.1 -28964 -28964 4.226 1.7461 -1.7197 7.8396e+05 2024-05-19 04:53:12,812 INFO [main.py:798]
{rank 0/64} MD step = 391600 step time: 00:00:00.332266 Performance: 32.451 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-19 04:53:18,882 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 90.693 -18998 9940 -28938 -28938 4.2279 1.744 -1.7215 7.8415e+05 2024-05-19 04:53:51,719 INFO [main.py:798]
{rank 0/64} MD step = 391700 step time: 00:00:00.330700 Performance: 32.454 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-19 04:53:58,600 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 91.016 -19198 9975.5 -29174 -29174 4.2315 1.7432 -1.7223 7.8428e+05 2024-05-19 04:54:31,528 INFO [main.py:798]
{rank 0/64} MD step = 391800 step time: 00:00:00.334359 Performance: 32.456 ns/day 0.739 hours/ns 1.878 steps/s 2024-05-19 04:54:37,953 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 91.269 -19034 10003 -29037 -29037 4.2331 1.7414 -1.7231 7.8451e+05 2024-05-19 04:55:10,930 INFO [main.py:798]
{rank 0/64} MD step = 391900 step time: 00:00:00.333708 Performance: 32.458 ns/day 0.739 hours/ns 1.878 steps/s 2024-05-19 04:55:17,969 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 90.503 -18910 9919.3 -28830 -28830 4.2354 1.7411 -1.7243 7.8474e+05 2024-05-19 04:55:50,808 INFO [main.py:798]
{rank 0/64} MD step = 392000 step time: 00:00:00.326821 Performance: 32.460 ns/day 0.739 hours/ns 1.878 steps/s 2024-05-19 04:56:09,297 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 90.604 -18995 9930.3 -28925 -28925 4.2382 1.7385 -1.7231 7.8495e+05 2024-05-19 04:56:42,342 INFO [main.py:798]
{rank 0/64} MD step = 392100 step time: 00:00:00.332170 Performance: 32.460 ns/day 0.739 hours/ns 1.878 steps/s 2024-05-19 04:56:54,714 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 90.648 -19161 9935.1 -29096 -29096 4.2384 1.7358 -1.724 7.8515e+05 2024-05-19 04:57:27,823 INFO [main.py:798]
{rank 0/64} MD step = 392200 step time: 00:00:00.331133 Performance: 32.461 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 04:57:42,989 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 90.918 -19053 9964.8 -29018 -29018 4.24 1.7354 -1.7259 7.8534e+05 2024-05-19 04:58:16,140 INFO [main.py:798]
{rank 0/64} MD step = 392300 step time: 00:00:00.329865 Performance: 32.462 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 04:58:23,469 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 89.828 -19137 9845.2 -28983 -28983 4.2396 1.7321 -1.7255 7.8556e+05 2024-05-19 04:58:57,064 INFO [main.py:798]
{rank 0/64} MD step = 392400 step time: 00:00:00.333307 Performance: 32.464 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 04:59:06,149 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 89.412 -19188 9799.6 -28987 -28987 4.2409 1.7312 -1.7257 7.8573e+05 2024-05-19 04:59:39,075 INFO [main.py:798]
{rank 0/64} MD step = 392500 step time: 00:00:00.332728 Performance: 32.466 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 04:59:46,474 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 91.77 -18864 10058 -28922 -28922 4.2412 1.7289 -1.7263 7.8598e+05 2024-05-19 05:00:19,619 INFO [main.py:798]
{rank 0/64} MD step = 392600 step time: 00:00:00.341293 Performance: 32.468 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 05:00:25,623 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 90.05 -19196 9869.6 -29066 -29066 4.2425 1.7297 -1.7282 7.8613e+05 2024-05-19 05:00:58,675 INFO [main.py:798]
{rank 0/64} MD step = 392700 step time: 00:00:00.331685 Performance: 32.470 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 05:01:04,394 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 89.439 -19316 9802.7 -29119 -29119 4.2423 1.7283 -1.7287 7.8635e+05 2024-05-19 05:01:37,536 INFO [main.py:798]
{rank 0/64} MD step = 392800 step time: 00:00:00.341539 Performance: 32.472 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 05:01:42,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392800 78560 91.456 -19036 10024 -29060 -29060 4.2409 1.7286 -1.7283 7.8656e+05 2024-05-19 05:02:15,613 INFO [main.py:798]
{rank 0/64} MD step = 392900 step time: 00:00:00.333548 Performance: 32.475 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 05:02:20,590 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 89.461 -19086 9805 -28891 -28891 4.2412 1.7279 -1.7276 7.8677e+05 2024-05-19 05:02:53,986 INFO [main.py:798]
{rank 0/64} MD step = 393000 step time: 00:00:00.327220 Performance: 32.477 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-19 05:02:59,739 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 89.63 -19252 9823.5 -29075 -29075 4.2406 1.727 -1.728 7.8699e+05 2024-05-19 05:03:34,317 INFO [main.py:798]
{rank 0/64} MD step = 393100 step time: 00:00:00.327911 Performance: 32.479 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-19 05:03:39,206 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 89.486 -19223 9807.7 -29030 -29030 4.241 1.726 -1.7266 7.872e+05 2024-05-19 05:04:12,347 INFO [main.py:798]
{rank 0/64} MD step = 393200 step time: 00:00:00.333249 Performance: 32.481 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-19 05:04:17,616 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 89.754 -19157 9837.1 -28994 -28994 4.2422 1.725 -1.729 7.874e+05 2024-05-19 05:04:50,840 INFO [main.py:798]
{rank 0/64} MD step = 393300 step time: 00:00:00.335709 Performance: 32.484 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-19 05:04:58,218 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 89.882 -18969 9851.2 -28820 -28820 4.2445 1.7234 -1.7304 7.8766e+05 2024-05-19 05:05:31,221 INFO [main.py:798]
{rank 0/64} MD step = 393400 step time: 00:00:00.330776 Performance: 32.486 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-19 05:05:37,495 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 89.507 -19213 9810.1 -29023 -29023 4.2444 1.7228 -1.7313 7.8785e+05 2024-05-19 05:06:10,458 INFO [main.py:798]
{rank 0/64} MD step = 393500 step time: 00:00:00.328751 Performance: 32.488 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-19 05:06:15,139 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 89.729 -19090 9834.4 -28924 -28924 4.2471 1.7223 -1.7313 7.8808e+05 2024-05-19 05:06:49,126 INFO [main.py:798]
{rank 0/64} MD step = 393600 step time: 00:00:00.329889 Performance: 32.490 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-19 05:06:59,746 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 90.688 -18799 9939.5 -28739 -28739 4.2476 1.721 -1.7314 7.8828e+05 2024-05-19 05:07:32,779 INFO [main.py:798]
{rank 0/64} MD step = 393700 step time: 00:00:00.333803 Performance: 32.491 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-19 05:07:38,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393700 78740 91.375 -18802 10015 -28816 -28816 4.2481 1.7195 -1.7314 7.8843e+05 2024-05-19 05:08:11,908 INFO [main.py:798]
{rank 0/64} MD step = 393800 step time: 00:00:00.342858 Performance: 32.494 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-19 05:08:18,721 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 89.292 -19250 9786.5 -29037 -29037 4.2497 1.7183 -1.731 7.8866e+05 2024-05-19 05:08:51,741 INFO [main.py:798]
{rank 0/64} MD step = 393900 step time: 00:00:00.336909 Performance: 32.496 ns/day 0.739 hours/ns 1.881 steps/s 2024-05-19 05:08:57,594 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 91.668 -18897 10047 -28944 -28944 4.2503 1.7162 -1.7302 7.8883e+05 2024-05-19 05:09:30,734 INFO [main.py:798]
{rank 0/64} MD step = 394000 step time: 00:00:00.337038 Performance: 32.498 ns/day 0.739 hours/ns 1.881 steps/s 2024-05-19 05:09:36,638 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 89.079 -19229 9763.2 -28992 -28992 4.25 1.7151 -1.7301 7.8903e+05 2024-05-19 05:10:09,491 INFO [main.py:798]
{rank 0/64} MD step = 394100 step time: 00:00:00.341086 Performance: 32.500 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:10:14,861 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 90.689 -18976 9939.6 -28916 -28916 4.2516 1.7131 -1.7316 7.8924e+05 2024-05-19 05:10:48,205 INFO [main.py:798]
{rank 0/64} MD step = 394200 step time: 00:00:00.331536 Performance: 32.502 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:11:19,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394200 78840 89.647 -19026 9825.4 -28851 -28851 4.252 1.7115 -1.7323 7.894e+05 2024-05-19 05:11:52,032 INFO [main.py:798]
{rank 0/64} MD step = 394300 step time: 00:00:00.330460 Performance: 32.501 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:11:59,609 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 89.577 -19012 9817.8 -28830 -28830 4.2523 1.7098 -1.7328 7.8961e+05 2024-05-19 05:12:32,804 INFO [main.py:798]
{rank 0/64} MD step = 394400 step time: 00:00:00.336168 Performance: 32.503 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:12:53,795 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 90.366 -18933 9904.2 -28838 -28838 4.2528 1.7084 -1.7336 7.8982e+05 2024-05-19 05:13:26,773 INFO [main.py:798]
{rank 0/64} MD step = 394500 step time: 00:00:00.347914 Performance: 32.503 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:13:35,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394500 78900 92.115 -18870 10096 -28966 -28966 4.2536 1.7077 -1.7344 7.9001e+05 2024-05-19 05:14:08,826 INFO [main.py:798]
{rank 0/64} MD step = 394600 step time: 00:00:00.331031 Performance: 32.504 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:14:15,299 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 89.625 -19000 9823 -28823 -28823 4.2528 1.7053 -1.7366 7.9021e+05 2024-05-19 05:14:48,348 INFO [main.py:798]
{rank 0/64} MD step = 394700 step time: 00:00:00.332721 Performance: 32.506 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:14:56,055 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 89.614 -18998 9821.8 -28820 -28820 4.2527 1.7036 -1.7364 7.9044e+05 2024-05-19 05:15:29,214 INFO [main.py:798]
{rank 0/64} MD step = 394800 step time: 00:00:00.340591 Performance: 32.508 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:15:35,351 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 91.087 -18948 9983.2 -28931 -28931 4.2521 1.7027 -1.7382 7.9067e+05 2024-05-19 05:16:08,343 INFO [main.py:798]
{rank 0/64} MD step = 394900 step time: 00:00:00.331247 Performance: 32.510 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-19 05:16:14,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394900 78980 88.63 -19188 9714 -28903 -28903 4.252 1.7013 -1.7392 7.9087e+05 2024-05-19 05:16:47,739 INFO [main.py:798]
{rank 0/64} MD step = 395000 step time: 00:00:00.336156 Performance: 32.513 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:16:55,693 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 89.301 -19089 9787.5 -28876 -28876 4.2524 1.6982 -1.739 7.9104e+05 2024-05-19 05:17:28,659 INFO [main.py:798]
{rank 0/64} MD step = 395100 step time: 00:00:00.331257 Performance: 32.514 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:17:35,362 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 89.313 -19140 9788.9 -28929 -28929 4.2527 1.6958 -1.7406 7.9125e+05 2024-05-19 05:18:08,552 INFO [main.py:798]
{rank 0/64} MD step = 395200 step time: 00:00:00.329435 Performance: 32.517 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:18:15,555 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 89.398 -19306 9798.1 -29105 -29105 4.2518 1.6943 -1.741 7.9145e+05 2024-05-19 05:18:48,775 INFO [main.py:798]
{rank 0/64} MD step = 395300 step time: 00:00:00.330751 Performance: 32.519 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:18:54,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395300 79060 89.376 -19412 9795.8 -29208 -29208 4.2526 1.6934 -1.7413 7.9167e+05 2024-05-19 05:19:27,683 INFO [main.py:798]
{rank 0/64} MD step = 395400 step time: 00:00:00.328499 Performance: 32.521 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:19:33,661 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 90.996 -19257 9973.3 -29230 -29230 4.2535 1.6927 -1.7442 7.9184e+05 2024-05-19 05:20:06,768 INFO [main.py:798]
{rank 0/64} MD step = 395500 step time: 00:00:00.353418 Performance: 32.523 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:20:12,117 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 89.148 -19434 9770.8 -29205 -29205 4.2562 1.6905 -1.7453 7.9204e+05 2024-05-19 05:20:44,998 INFO [main.py:798]
{rank 0/64} MD step = 395600 step time: 00:00:00.329554 Performance: 32.525 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:20:51,960 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 88.87 -19278 9740.3 -29018 -29018 4.2568 1.6889 -1.7474 7.9226e+05 2024-05-19 05:21:24,915 INFO [main.py:798]
{rank 0/64} MD step = 395700 step time: 00:00:00.332133 Performance: 32.527 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:21:31,607 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 90.594 -19192 9929.2 -29122 -29122 4.2569 1.6887 -1.7481 7.9243e+05 2024-05-19 05:22:04,957 INFO [main.py:798]
{rank 0/64} MD step = 395800 step time: 00:00:00.330604 Performance: 32.529 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-19 05:22:10,300 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 89.448 -19432 9803.6 -29236 -29236 4.2555 1.689 -1.7473 7.9264e+05 2024-05-19 05:22:43,495 INFO [main.py:798]
{rank 0/64} MD step = 395900 step time: 00:00:00.331195 Performance: 32.532 ns/day 0.738 hours/ns 1.883 steps/s 2024-05-19 05:22:51,690 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 90.564 -19079 9925.9 -29005 -29005 4.2563 1.6886 -1.7482 7.9287e+05 2024-05-19 05:23:25,062 INFO [main.py:798]
{rank 0/64} MD step = 396000 step time: 00:00:00.327104 Performance: 32.533 ns/day 0.738 hours/ns 1.883 steps/s 2024-05-19 05:23:32,468 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 90.615 -19118 9931.5 -29049 -29049 4.2578 1.6883 -1.7477 7.9307e+05 2024-05-19 05:24:05,529 INFO [main.py:798]
{rank 0/64} MD step = 396100 step time: 00:00:00.327608 Performance: 32.535 ns/day 0.738 hours/ns 1.883 steps/s 2024-05-19 05:24:12,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396100 79220 91.531 -18992 10032 -29024 -29024 4.257 1.6866 -1.7478 7.9322e+05 2024-05-19 05:24:46,062 INFO [main.py:798]
{rank 0/64} MD step = 396200 step time: 00:00:00.327045 Performance: 32.537 ns/day 0.738 hours/ns 1.883 steps/s 2024-05-19 05:24:54,086 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 89.879 -19054 9850.8 -28905 -28905 4.2564 1.6853 -1.7479 7.9345e+05 2024-05-19 05:25:27,387 INFO [main.py:798]
{rank 0/64} MD step = 396300 step time: 00:00:00.325772 Performance: 32.539 ns/day 0.738 hours/ns 1.883 steps/s 2024-05-19 05:25:34,311 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 90.796 -19098 9951.4 -29050 -29050 4.2571 1.6842 -1.7489 7.9364e+05 2024-05-19 05:26:07,419 INFO [main.py:798]
{rank 0/64} MD step = 396400 step time: 00:00:00.326704 Performance: 32.541 ns/day 0.738 hours/ns 1.883 steps/s 2024-05-19 05:26:12,995 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 90.016 -19088 9865.9 -28954 -28954 4.2596 1.6841 -1.7507 7.9386e+05 2024-05-19 05:26:46,177 INFO [main.py:798]
{rank 0/64} MD step = 396500 step time: 00:00:00.343431 Performance: 32.543 ns/day 0.737 hours/ns 1.883 steps/s 2024-05-19 05:26:51,485 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 89.483 -19202 9807.5 -29009 -29009 4.2625 1.6832 -1.7539 7.9404e+05 2024-05-19 05:27:24,918 INFO [main.py:798]
{rank 0/64} MD step = 396600 step time: 00:00:00.337005 Performance: 32.545 ns/day 0.737 hours/ns 1.883 steps/s 2024-05-19 05:27:31,781 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 89.119 -19222 9767.6 -28989 -28989 4.2644 1.6823 -1.7552 7.9424e+05 2024-05-19 05:28:04,856 INFO [main.py:798]
{rank 0/64} MD step = 396700 step time: 00:00:00.332567 Performance: 32.548 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:28:20,572 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 91.86 -18854 10068 -28922 -28922 4.2666 1.6815 -1.7565 7.9441e+05 2024-05-19 05:28:53,924 INFO [main.py:798]
{rank 0/64} MD step = 396800 step time: 00:00:00.327200 Performance: 32.548 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:29:01,012 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 90.305 -19045 9897.5 -28942 -28942 4.2701 1.6808 -1.7577 7.9461e+05 2024-05-19 05:29:35,684 INFO [main.py:798]
{rank 0/64} MD step = 396900 step time: 00:00:00.331348 Performance: 32.550 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:29:43,056 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 90.471 -18809 9915.7 -28725 -28725 4.274 1.6789 -1.7577 7.948e+05 2024-05-19 05:30:16,086 INFO [main.py:798]
{rank 0/64} MD step = 397000 step time: 00:00:00.330823 Performance: 32.552 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:30:22,212 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 89.068 -18850 9761.9 -28612 -28612 4.2794 1.6774 -1.7585 7.95e+05 2024-05-19 05:30:55,291 INFO [main.py:798]
{rank 0/64} MD step = 397100 step time: 00:00:00.333906 Performance: 32.554 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:31:02,588 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 89.042 -18764 9759.1 -28524 -28524 4.2809 1.6773 -1.7603 7.9525e+05 2024-05-19 05:31:35,722 INFO [main.py:798]
{rank 0/64} MD step = 397200 step time: 00:00:00.327770 Performance: 32.556 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:31:41,883 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 89.838 -18876 9846.3 -28722 -28722 4.2835 1.6763 -1.7639 7.9538e+05 2024-05-19 05:32:15,259 INFO [main.py:798]
{rank 0/64} MD step = 397300 step time: 00:00:00.328997 Performance: 32.558 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:32:20,876 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 89.79 -18956 9841.1 -28797 -28797 4.2855 1.6759 -1.7651 7.9557e+05 2024-05-19 05:32:53,923 INFO [main.py:798]
{rank 0/64} MD step = 397400 step time: 00:00:00.330253 Performance: 32.560 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:32:59,128 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 91.662 -18624 10046 -28671 -28671 4.288 1.6764 -1.7644 7.9579e+05 2024-05-19 05:33:32,111 INFO [main.py:798]
{rank 0/64} MD step = 397500 step time: 00:00:00.335262 Performance: 32.563 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-19 05:33:38,527 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 89.572 -18947 9817.1 -28765 -28765 4.2905 1.6789 -1.7636 7.9596e+05 2024-05-19 05:34:11,519 INFO [main.py:798]
{rank 0/64} MD step = 397600 step time: 00:00:00.331346 Performance: 32.565 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-19 05:34:16,736 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 89.617 -19005 9822.1 -28827 -28827 4.2937 1.6786 -1.7644 7.9609e+05 2024-05-19 05:34:49,740 INFO [main.py:798]
{rank 0/64} MD step = 397700 step time: 00:00:00.333727 Performance: 32.567 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-19 05:34:56,099 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 90.005 -18938 9864.7 -28802 -28802 4.2964 1.6796 -1.7651 7.9632e+05 2024-05-19 05:35:28,948 INFO [main.py:798]
{rank 0/64} MD step = 397800 step time: 00:00:00.330909 Performance: 32.569 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-19 05:35:34,947 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 89.612 -18898 9821.6 -28719 -28719 4.3003 1.6805 -1.7659 7.9656e+05 2024-05-19 05:36:08,031 INFO [main.py:798]
{rank 0/64} MD step = 397900 step time: 00:00:00.330530 Performance: 32.571 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-19 05:36:14,016 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 90.958 -18888 9969.1 -28857 -28857 4.3036 1.6816 -1.767 7.9672e+05 2024-05-19 05:36:47,119 INFO [main.py:798]
{rank 0/64} MD step = 398000 step time: 00:00:00.328102 Performance: 32.573 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-19 05:36:53,046 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 89.593 -19234 9819.5 -29054 -29054 4.3051 1.6807 -1.7683 7.9692e+05 2024-05-19 05:37:26,100 INFO [main.py:798]
{rank 0/64} MD step = 398100 step time: 00:00:00.330069 Performance: 32.576 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-19 05:37:31,742 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 89.634 -19238 9824 -29062 -29062 4.3061 1.6803 -1.7683 7.9708e+05 2024-05-19 05:38:04,767 INFO [main.py:798]
{rank 0/64} MD step = 398200 step time: 00:00:00.330682 Performance: 32.578 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-19 05:38:10,532 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 90.047 -19153 9869.2 -29022 -29022 4.3083 1.6804 -1.7697 7.973e+05 2024-05-19 05:38:43,819 INFO [main.py:798]
{rank 0/64} MD step = 398300 step time: 00:00:00.329449 Performance: 32.580 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-19 05:38:51,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398300 79660 90.26 -19195 9892.7 -29087 -29087 4.3092 1.6798 -1.7709 7.9748e+05 2024-05-19 05:39:24,105 INFO [main.py:798]
{rank 0/64} MD step = 398400 step time: 00:00:00.342063 Performance: 32.582 ns/day 0.737 hours/ns 1.886 steps/s 2024-05-19 05:39:30,117 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 89.291 -19387 9786.4 -29174 -29174 4.311 1.6797 -1.7721 7.9769e+05 2024-05-19 05:40:03,426 INFO [main.py:798]
{rank 0/64} MD step = 398500 step time: 00:00:00.336513 Performance: 32.584 ns/day 0.737 hours/ns 1.886 steps/s 2024-05-19 05:40:09,468 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 90.146 -19311 9880.1 -29191 -29191 4.3147 1.6797 -1.7745 7.9792e+05 2024-05-19 05:40:42,300 INFO [main.py:798]
{rank 0/64} MD step = 398600 step time: 00:00:00.329934 Performance: 32.586 ns/day 0.737 hours/ns 1.886 steps/s 2024-05-19 05:40:49,735 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 90.938 -19190 9967 -29157 -29157 4.3179 1.6808 -1.7743 7.9812e+05 2024-05-19 05:41:22,487 INFO [main.py:798]
{rank 0/64} MD step = 398700 step time: 00:00:00.341926 Performance: 32.588 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-19 05:41:35,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398700 79740 87.707 -19341 9612.8 -28954 -28954 4.3201 1.6811 -1.7752 7.9836e+05 2024-05-19 05:42:08,001 INFO [main.py:798]
{rank 0/64} MD step = 398800 step time: 00:00:00.326378 Performance: 32.589 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-19 05:42:13,595 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 89.66 -19228 9826.9 -29055 -29055 4.3232 1.6812 -1.7766 7.9855e+05 2024-05-19 05:42:46,186 INFO [main.py:798]
{rank 0/64} MD step = 398900 step time: 00:00:00.325589 Performance: 32.592 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-19 05:42:52,410 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 89.861 -19272 9848.9 -29121 -29121 4.3261 1.6799 -1.776 7.987e+05 2024-05-19 05:43:25,168 INFO [main.py:798]
{rank 0/64} MD step = 399000 step time: 00:00:00.325111 Performance: 32.594 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-19 05:43:32,629 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 90.488 -19106 9917.6 -29023 -29023 4.3284 1.6796 -1.7771 7.9891e+05 2024-05-19 05:44:06,151 INFO [main.py:798]
{rank 0/64} MD step = 399100 step time: 00:00:00.326090 Performance: 32.596 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-19 05:44:11,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399100 79820 89.967 -19011 9860.5 -28871 -28871 4.33 1.6797 -1.7787 7.9908e+05 2024-05-19 05:44:44,073 INFO [main.py:798]
{rank 0/64} MD step = 399200 step time: 00:00:00.326715 Performance: 32.598 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-19 05:44:50,698 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 89.456 -19061 9804.4 -28865 -28865 4.3319 1.6806 -1.7795 7.9929e+05 2024-05-19 05:45:23,311 INFO [main.py:798]
{rank 0/64} MD step = 399300 step time: 00:00:00.326623 Performance: 32.600 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-19 05:45:30,770 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 90.127 -18981 9878 -28859 -28859 4.334 1.6823 -1.7801 7.9946e+05 2024-05-19 05:46:03,430 INFO [main.py:798]
{rank 0/64} MD step = 399400 step time: 00:00:00.326315 Performance: 32.602 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-19 05:46:10,729 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 90.347 -19116 9902.1 -29018 -29018 4.337 1.6821 -1.7799 7.9968e+05 2024-05-19 05:46:43,225 INFO [main.py:798]
{rank 0/64} MD step = 399500 step time: 00:00:00.326414 Performance: 32.604 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-19 05:46:48,640 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 90.097 -19119 9874.8 -28994 -28994 4.3405 1.6827 -1.7804 7.999e+05 2024-05-19 05:47:21,006 INFO [main.py:798]
{rank 0/64} MD step = 399600 step time: 00:00:00.326611 Performance: 32.606 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-19 05:47:26,341 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 89.951 -19090 9858.8 -28948 -28948 4.3438 1.6823 -1.7817 8.001e+05 2024-05-19 05:47:58,715 INFO [main.py:798]
{rank 0/64} MD step = 399700 step time: 00:00:00.325977 Performance: 32.609 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-19 05:48:04,029 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 90.219 -19020 9888.1 -28908 -28908 4.3497 1.6818 -1.7825 8.0035e+05 2024-05-19 05:48:36,447 INFO [main.py:798]
{rank 0/64} MD step = 399800 step time: 00:00:00.325705 Performance: 32.611 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-19 05:48:42,157 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 90.078 -19134 9872.6 -29006 -29006 4.3516 1.6812 -1.7836 8.0049e+05 2024-05-19 05:49:14,507 INFO [main.py:798]
{rank 0/64} MD step = 399900 step time: 00:00:00.325859 Performance: 32.613 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-19 05:49:20,502 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 89.872 -19107 9850 -28957 -28957 4.3546 1.6816 -1.7864 8.0073e+05 2024-05-19 05:49:52,857 INFO [main.py:798]
{rank 0/64} MD step = 400000 step time: 00:00:00.326972 Performance: 32.616 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-19 05:49:58,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400000 80000 90.781 -19040 9949.8 -28990 -28990 4.3594 1.6818 -1.7868 8.0091e+05 2024-05-19 05:50:30,974 INFO [main.py:798]
{rank 0/64} MD step = 400100 step time: 00:00:00.327583 Performance: 32.618 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:50:35,865 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 88.497 -19322 9699.4 -29021 -29021 4.3638 1.6809 -1.7878 8.0112e+05 2024-05-19 05:51:09,496 INFO [main.py:798]
{rank 0/64} MD step = 400200 step time: 00:00:00.327154 Performance: 32.620 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:51:17,259 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 90.047 -18859 9869.3 -28729 -28729 4.3687 1.6807 -1.7887 8.0134e+05 2024-05-19 05:51:50,029 INFO [main.py:798]
{rank 0/64} MD step = 400300 step time: 00:00:00.326069 Performance: 32.622 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:52:20,815 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 90.427 -19033 9910.9 -28944 -28944 4.3727 1.6797 -1.7911 8.0152e+05 2024-05-19 05:52:53,759 INFO [main.py:798]
{rank 0/64} MD step = 400400 step time: 00:00:00.325276 Performance: 32.620 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:53:00,686 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 90.294 -19160 9896.3 -29056 -29056 4.3774 1.6817 -1.7921 8.0172e+05 2024-05-19 05:53:34,873 INFO [main.py:798]
{rank 0/64} MD step = 400500 step time: 00:00:00.326891 Performance: 32.622 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:53:41,707 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 90.212 -19071 9887.4 -28958 -28958 4.3828 1.6815 -1.7932 8.019e+05 2024-05-19 05:54:14,094 INFO [main.py:798]
{rank 0/64} MD step = 400600 step time: 00:00:00.326519 Performance: 32.624 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:54:22,163 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 89.608 -19142 9821.2 -28963 -28963 4.3863 1.6806 -1.7936 8.0213e+05 2024-05-19 05:54:54,509 INFO [main.py:798]
{rank 0/64} MD step = 400700 step time: 00:00:00.326090 Performance: 32.626 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:55:02,026 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 92.052 -18863 10089 -28952 -28952 4.3893 1.681 -1.7951 8.0232e+05 2024-05-19 05:55:34,470 INFO [main.py:798]
{rank 0/64} MD step = 400800 step time: 00:00:00.326702 Performance: 32.628 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:55:40,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400800 80160 91.691 -18710 10049 -28759 -28759 4.3928 1.6801 -1.7957 8.0258e+05 2024-05-19 05:56:13,110 INFO [main.py:798]
{rank 0/64} MD step = 400900 step time: 00:00:00.327022 Performance: 32.631 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-19 05:56:20,384 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 89.567 -19416 9816.7 -29233 -29233 4.3971 1.6801 -1.7966 8.027e+05 2024-05-19 05:56:53,964 INFO [main.py:798]
{rank 0/64} MD step = 401000 step time: 00:00:00.326341 Performance: 32.632 ns/day 0.735 hours/ns 1.888 steps/s 2024-05-19 05:57:03,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401000 80200 89.211 -19328 9777.7 -29105 -29105 4.4024 1.6804 -1.7971 8.0289e+05 2024-05-19 05:57:36,288 INFO [main.py:798]
{rank 0/64} MD step = 401100 step time: 00:00:00.326058 Performance: 32.634 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 05:57:45,453 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 88.926 -19283 9746.5 -29029 -29029 4.4075 1.682 -1.799 8.0309e+05 2024-05-19 05:58:17,959 INFO [main.py:798]
{rank 0/64} MD step = 401200 step time: 00:00:00.326344 Performance: 32.636 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 05:58:24,142 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 90.425 -19237 9910.7 -29148 -29148 4.4113 1.6819 -1.7995 8.0329e+05 2024-05-19 05:58:56,613 INFO [main.py:798]
{rank 0/64} MD step = 401300 step time: 00:00:00.326834 Performance: 32.638 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 05:59:07,060 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 90.713 -19310 9942.3 -29252 -29252 4.415 1.6846 -1.7999 8.0345e+05 2024-05-19 05:59:39,429 INFO [main.py:798]
{rank 0/64} MD step = 401400 step time: 00:00:00.326936 Performance: 32.640 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 05:59:45,445 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 89.817 -19452 9844.1 -29296 -29296 4.4214 1.6847 -1.8013 8.0371e+05 2024-05-19 06:00:18,004 INFO [main.py:798]
{rank 0/64} MD step = 401500 step time: 00:00:00.325148 Performance: 32.642 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 06:00:26,087 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 89.467 -19373 9805.6 -29178 -29178 4.425 1.686 -1.8022 8.039e+05 2024-05-19 06:00:58,842 INFO [main.py:798]
{rank 0/64} MD step = 401600 step time: 00:00:00.325683 Performance: 32.644 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 06:01:03,974 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 89.392 -19373 9797.4 -29170 -29170 4.4275 1.687 -1.8031 8.041e+05 2024-05-19 06:01:36,401 INFO [main.py:798]
{rank 0/64} MD step = 401700 step time: 00:00:00.326174 Performance: 32.646 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 06:01:43,570 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 91.155 -19119 9990.7 -29110 -29110 4.431 1.6891 -1.8036 8.0431e+05 2024-05-19 06:02:16,344 INFO [main.py:798]
{rank 0/64} MD step = 401800 step time: 00:00:00.326099 Performance: 32.648 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 06:02:23,242 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 88.842 -19303 9737.2 -29040 -29040 4.4327 1.6904 -1.8037 8.0454e+05 2024-05-19 06:02:55,616 INFO [main.py:798]
{rank 0/64} MD step = 401900 step time: 00:00:00.326371 Performance: 32.650 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-19 06:03:02,474 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 90.205 -19311 9886.5 -29197 -29197 4.4377 1.69 -1.8046 8.0475e+05 2024-05-19 06:03:34,851 INFO [main.py:798]
{rank 0/64} MD step = 402000 step time: 00:00:00.326605 Performance: 32.652 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:03:40,933 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 88.806 -19260 9733.2 -28993 -28993 4.4414 1.6906 -1.8042 8.0496e+05 2024-05-19 06:04:13,736 INFO [main.py:798]
{rank 0/64} MD step = 402100 step time: 00:00:00.326212 Performance: 32.654 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:04:22,300 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 91.742 -18840 10055 -28895 -28895 4.4467 1.688 -1.8051 8.0515e+05 2024-05-19 06:04:54,719 INFO [main.py:798]
{rank 0/64} MD step = 402200 step time: 00:00:00.325904 Performance: 32.656 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:05:01,747 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 90.601 -19199 9930 -29129 -29129 4.4507 1.6859 -1.8054 8.0531e+05 2024-05-19 06:05:34,132 INFO [main.py:798]
{rank 0/64} MD step = 402300 step time: 00:00:00.329011 Performance: 32.658 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:05:40,518 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 89.443 -19115 9803 -28918 -28918 4.4532 1.6831 -1.8061 8.0554e+05 2024-05-19 06:06:12,979 INFO [main.py:798]
{rank 0/64} MD step = 402400 step time: 00:00:00.327493 Performance: 32.660 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:06:22,717 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 90.747 -18976 9946 -28922 -28922 4.4568 1.6829 -1.8063 8.057e+05 2024-05-19 06:06:55,337 INFO [main.py:798]
{rank 0/64} MD step = 402500 step time: 00:00:00.326844 Performance: 32.662 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:07:01,039 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 91.319 -18998 10009 -29007 -29007 4.4608 1.6827 -1.8052 8.0589e+05 2024-05-19 06:07:33,405 INFO [main.py:798]
{rank 0/64} MD step = 402600 step time: 00:00:00.325645 Performance: 32.664 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:07:39,479 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 90.201 -18927 9886.1 -28814 -28814 4.4632 1.6821 -1.8055 8.0613e+05 2024-05-19 06:08:12,727 INFO [main.py:798]
{rank 0/64} MD step = 402700 step time: 00:00:00.326123 Performance: 32.666 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:08:23,589 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 90.652 -19041 9935.6 -28976 -28976 4.4653 1.6822 -1.8038 8.0633e+05 2024-05-19 06:08:55,938 INFO [main.py:798]
{rank 0/64} MD step = 402800 step time: 00:00:00.326592 Performance: 32.668 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-19 06:09:01,532 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 89.224 -19235 9779 -29014 -29014 4.4684 1.6826 -1.8046 8.0651e+05 2024-05-19 06:09:33,886 INFO [main.py:798]
{rank 0/64} MD step = 402900 step time: 00:00:00.325379 Performance: 32.670 ns/day 0.735 hours/ns 1.891 steps/s 2024-05-19 06:09:41,600 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 90.993 -18917 9972.9 -28890 -28890 4.4719 1.6828 -1.8047 8.0676e+05 2024-05-19 06:10:14,024 INFO [main.py:798]
{rank 0/64} MD step = 403000 step time: 00:00:00.327107 Performance: 32.672 ns/day 0.735 hours/ns 1.891 steps/s 2024-05-19 06:10:20,109 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 90.751 -19053 9946.4 -28999 -28999 4.4763 1.683 -1.8042 8.0693e+05 2024-05-19 06:10:52,851 INFO [main.py:798]
{rank 0/64} MD step = 403100 step time: 00:00:00.326137 Performance: 32.674 ns/day 0.735 hours/ns 1.891 steps/s 2024-05-19 06:10:57,736 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 90.112 -19073 9876.3 -28949 -28949 4.4793 1.6842 -1.8055 8.0716e+05 2024-05-19 06:11:30,470 INFO [main.py:798]
{rank 0/64} MD step = 403200 step time: 00:00:00.326295 Performance: 32.677 ns/day 0.734 hours/ns 1.891 steps/s 2024-05-19 06:11:37,533 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 88.726 -19408 9724.5 -29132 -29132 4.4841 1.685 -1.8035 8.0732e+05 2024-05-19 06:12:10,098 INFO [main.py:798]
{rank 0/64} MD step = 403300 step time: 00:00:00.325338 Performance: 32.679 ns/day 0.734 hours/ns 1.891 steps/s 2024-05-19 06:12:30,208 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 90.109 -19109 9876 -28985 -28985 4.4885 1.6871 -1.8045 8.0751e+05 2024-05-19 06:13:03,309 INFO [main.py:798]
{rank 0/64} MD step = 403400 step time: 00:00:00.327774 Performance: 32.679 ns/day 0.734 hours/ns 1.891 steps/s 2024-05-19 06:13:10,737 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 90.313 -19050 9898.4 -28949 -28949 4.4924 1.6867 -1.8056 8.0769e+05 2024-05-19 06:13:43,087 INFO [main.py:798]
{rank 0/64} MD step = 403500 step time: 00:00:00.326750 Performance: 32.681 ns/day 0.734 hours/ns 1.891 steps/s 2024-05-19 06:13:50,945 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 89.912 -19328 9854.5 -29183 -29183 4.4967 1.6861 -1.8081 8.0788e+05 2024-05-19 06:14:23,593 INFO [main.py:798]
{rank 0/64} MD step = 403600 step time: 00:00:00.327453 Performance: 32.682 ns/day 0.734 hours/ns 1.891 steps/s 2024-05-19 06:14:35,754 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 90.221 -19239 9888.4 -29127 -29127 4.5003 1.6872 -1.8079 8.0808e+05 2024-05-19 06:15:08,207 INFO [main.py:798]
{rank 0/64} MD step = 403700 step time: 00:00:00.325006 Performance: 32.684 ns/day 0.734 hours/ns 1.891 steps/s 2024-05-19 06:15:15,666 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 89.577 -19393 9817.8 -29211 -29211 4.5049 1.6863 -1.8096 8.0827e+05 2024-05-19 06:15:48,187 INFO [main.py:798]
{rank 0/64} MD step = 403800 step time: 00:00:00.326156 Performance: 32.686 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:15:54,513 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 91.053 -19263 9979.5 -29243 -29243 4.5091 1.6887 -1.812 8.0847e+05 2024-05-19 06:16:28,453 INFO [main.py:798]
{rank 0/64} MD step = 403900 step time: 00:00:00.327133 Performance: 32.688 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:16:35,373 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 90.765 -19167 9948 -29115 -29115 4.5145 1.689 -1.8157 8.0869e+05 2024-05-19 06:17:07,791 INFO [main.py:798]
{rank 0/64} MD step = 404000 step time: 00:00:00.326233 Performance: 32.690 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:17:13,813 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 90.443 -19318 9912.7 -29231 -29231 4.5196 1.689 -1.8155 8.089e+05 2024-05-19 06:17:46,920 INFO [main.py:798]
{rank 0/64} MD step = 404100 step time: 00:00:00.339100 Performance: 32.692 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:17:52,707 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 89.973 -19126 9861.2 -28987 -28987 4.5232 1.6926 -1.8161 8.091e+05 2024-05-19 06:18:25,987 INFO [main.py:798]
{rank 0/64} MD step = 404200 step time: 00:00:00.327584 Performance: 32.694 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:18:33,221 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 90.437 -19292 9912 -29204 -29204 4.5267 1.6943 -1.8183 8.0927e+05 2024-05-19 06:19:05,758 INFO [main.py:798]
{rank 0/64} MD step = 404300 step time: 00:00:00.328666 Performance: 32.696 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:19:11,742 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 91.874 -18801 10070 -28871 -28871 4.5305 1.6969 -1.8186 8.0948e+05 2024-05-19 06:19:44,077 INFO [main.py:798]
{rank 0/64} MD step = 404400 step time: 00:00:00.325733 Performance: 32.698 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:19:52,053 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 90.184 -19131 9884.3 -29016 -29016 4.5333 1.6988 -1.8189 8.0972e+05 2024-05-19 06:20:24,871 INFO [main.py:798]
{rank 0/64} MD step = 404500 step time: 00:00:00.327495 Performance: 32.700 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:20:30,763 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 89.05 -19507 9760 -29266 -29266 4.5388 1.701 -1.8189 8.0988e+05 2024-05-19 06:21:03,521 INFO [main.py:798]
{rank 0/64} MD step = 404600 step time: 00:00:00.325591 Performance: 32.702 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-19 06:21:07,697 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 89.642 -19250 9824.8 -29075 -29075 4.542 1.7017 -1.82 8.101e+05 2024-05-19 06:21:41,700 INFO [main.py:798]
{rank 0/64} MD step = 404700 step time: 00:00:00.325532 Performance: 32.704 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-19 06:21:47,612 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 90.351 -19376 9902.5 -29279 -29279 4.5448 1.7033 -1.8193 8.1033e+05 2024-05-19 06:22:19,999 INFO [main.py:798]
{rank 0/64} MD step = 404800 step time: 00:00:00.325505 Performance: 32.707 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-19 06:22:27,037 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 90.468 -19125 9915.4 -29040 -29040 4.5467 1.7041 -1.8203 8.1056e+05 2024-05-19 06:22:59,524 INFO [main.py:798]
{rank 0/64} MD step = 404900 step time: 00:00:00.326694 Performance: 32.709 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-19 06:23:06,772 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 88.896 -19501 9743.1 -29244 -29244 4.5503 1.7074 -1.8207 8.1071e+05 2024-05-19 06:23:39,365 INFO [main.py:798]
{rank 0/64} MD step = 405000 step time: 00:00:00.325647 Performance: 32.711 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-19 06:23:45,374 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 89.803 -19377 9842.6 -29220 -29220 4.5539 1.7099 -1.8214 8.1091e+05 2024-05-19 06:24:17,778 INFO [main.py:798]
{rank 0/64} MD step = 405100 step time: 00:00:00.326821 Performance: 32.713 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-19 06:24:24,765 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 88.833 -19423 9736.2 -29159 -29159 4.5569 1.7125 -1.8235 8.1114e+05 2024-05-19 06:24:57,333 INFO [main.py:798]
{rank 0/64} MD step = 405200 step time: 00:00:00.326336 Performance: 32.715 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-19 06:25:03,894 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 91.219 -19169 9997.7 -29167 -29167 4.5633 1.7147 -1.8245 8.1136e+05 2024-05-19 06:25:36,589 INFO [main.py:798]
{rank 0/64} MD step = 405300 step time: 00:00:00.325622 Performance: 32.717 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-19 06:25:42,917 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 89.334 -19446 9791.1 -29237 -29237 4.5664 1.717 -1.8262 8.1153e+05 2024-05-19 06:26:15,299 INFO [main.py:798]
{rank 0/64} MD step = 405400 step time: 00:00:00.327291 Performance: 32.719 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-19 06:26:20,967 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 90.658 -19186 9936.2 -29122 -29122 4.5711 1.721 -1.8284 8.117e+05 2024-05-19 06:26:53,318 INFO [main.py:798]
{rank 0/64} MD step = 405500 step time: 00:00:00.326505 Performance: 32.721 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:27:15,319 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 90.439 -19077 9912.2 -28989 -28989 4.5745 1.7224 -1.8295 8.1194e+05 2024-05-19 06:27:48,024 INFO [main.py:798]
{rank 0/64} MD step = 405600 step time: 00:00:00.326040 Performance: 32.721 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:27:54,505 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 89.811 -19306 9843.4 -29149 -29149 4.5801 1.7229 -1.8311 8.1214e+05 2024-05-19 06:28:26,941 INFO [main.py:798]
{rank 0/64} MD step = 405700 step time: 00:00:00.341514 Performance: 32.723 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:28:34,026 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 89.294 -19497 9786.7 -29284 -29284 4.5842 1.7263 -1.8317 8.1228e+05 2024-05-19 06:29:06,859 INFO [main.py:798]
{rank 0/64} MD step = 405800 step time: 00:00:00.333177 Performance: 32.725 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:29:13,894 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 90.099 -19204 9874.9 -29079 -29079 4.5875 1.73 -1.834 8.1249e+05 2024-05-19 06:29:46,316 INFO [main.py:798]
{rank 0/64} MD step = 405900 step time: 00:00:00.326375 Performance: 32.727 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:29:55,528 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 88.879 -19323 9741.3 -29064 -29064 4.5924 1.7342 -1.8357 8.1264e+05 2024-05-19 06:30:28,354 INFO [main.py:798]
{rank 0/64} MD step = 406000 step time: 00:00:00.327179 Performance: 32.729 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:30:36,080 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 90.748 -19093 9946.1 -29039 -29039 4.5947 1.7381 -1.8369 8.1283e+05 2024-05-19 06:31:08,655 INFO [main.py:798]
{rank 0/64} MD step = 406100 step time: 00:00:00.326991 Performance: 32.731 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:31:15,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406100 81220 90.556 -19088 9925 -29013 -29013 4.5994 1.7413 -1.8396 8.1304e+05 2024-05-19 06:31:48,509 INFO [main.py:798]
{rank 0/64} MD step = 406200 step time: 00:00:00.325839 Performance: 32.733 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:31:56,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406200 81240 90.391 -19049 9907 -28956 -28956 4.6011 1.7441 -1.8409 8.1322e+05 2024-05-19 06:32:28,553 INFO [main.py:798]
{rank 0/64} MD step = 406300 step time: 00:00:00.325733 Performance: 32.735 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:32:35,402 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 89.182 -19269 9774.5 -29043 -29043 4.6043 1.7458 -1.8422 8.1342e+05 2024-05-19 06:33:07,910 INFO [main.py:798]
{rank 0/64} MD step = 406400 step time: 00:00:00.326723 Performance: 32.737 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-19 06:33:11,827 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 90.161 -19125 9881.8 -29006 -29006 4.6091 1.7484 -1.8444 8.136e+05 2024-05-19 06:33:45,670 INFO [main.py:798]
{rank 0/64} MD step = 406500 step time: 00:00:00.327062 Performance: 32.739 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-19 06:33:51,668 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 88.755 -19199 9727.7 -28926 -28926 4.6125 1.7516 -1.8463 8.1381e+05 2024-05-19 06:34:24,046 INFO [main.py:798]
{rank 0/64} MD step = 406600 step time: 00:00:00.325539 Performance: 32.741 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-19 06:34:28,535 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 90.092 -18970 9874.2 -28844 -28844 4.616 1.7549 -1.847 8.1397e+05 2024-05-19 06:35:02,404 INFO [main.py:798]
{rank 0/64} MD step = 406700 step time: 00:00:00.326703 Performance: 32.743 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-19 06:35:09,049 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 89.344 -19000 9792.2 -28792 -28792 4.6198 1.7572 -1.8478 8.1419e+05 2024-05-19 06:35:41,453 INFO [main.py:798]
{rank 0/64} MD step = 406800 step time: 00:00:00.325761 Performance: 32.745 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-19 06:35:47,341 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 90.087 -19080 9873.6 -28954 -28954 4.6218 1.7605 -1.8498 8.1435e+05 2024-05-19 06:36:19,739 INFO [main.py:798]
{rank 0/64} MD step = 406900 step time: 00:00:00.325613 Performance: 32.748 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-19 06:36:26,500 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 89.302 -19126 9787.6 -28913 -28913 4.6246 1.764 -1.8508 8.1456e+05 2024-05-19 06:36:58,869 INFO [main.py:798]
{rank 0/64} MD step = 407000 step time: 00:00:00.327363 Performance: 32.750 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-19 06:37:05,322 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 89.706 -19140 9831.9 -28972 -28972 4.6282 1.7668 -1.8516 8.1476e+05 2024-05-19 06:37:38,355 INFO [main.py:798]
{rank 0/64} MD step = 407100 step time: 00:00:00.326105 Performance: 32.752 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-19 06:37:44,077 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 89.864 -18994 9849.2 -28844 -28844 4.6317 1.7707 -1.8518 8.1499e+05 2024-05-19 06:38:16,396 INFO [main.py:798]
{rank 0/64} MD step = 407200 step time: 00:00:00.326558 Performance: 32.754 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-19 06:38:20,297 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 88.946 -19296 9748.6 -29044 -29044 4.6354 1.7737 -1.8534 8.1514e+05 2024-05-19 06:38:54,524 INFO [main.py:798]
{rank 0/64} MD step = 407300 step time: 00:00:00.325442 Performance: 32.756 ns/day 0.733 hours/ns 1.896 steps/s 2024-05-19 06:39:00,406 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 90.694 -18862 9940.2 -28802 -28802 4.6402 1.7737 -1.8541 8.1537e+05 2024-05-19 06:39:32,842 INFO [main.py:798]
{rank 0/64} MD step = 407400 step time: 00:00:00.326959 Performance: 32.758 ns/day 0.733 hours/ns 1.896 steps/s 2024-05-19 06:39:38,324 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 90.296 -18994 9896.6 -28890 -28890 4.6417 1.773 -1.8541 8.1555e+05 2024-05-19 06:40:10,747 INFO [main.py:798]
{rank 0/64} MD step = 407500 step time: 00:00:00.327202 Performance: 32.761 ns/day 0.733 hours/ns 1.896 steps/s 2024-05-19 06:40:16,757 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 90.236 -19234 9889.9 -29124 -29124 4.6441 1.7742 -1.8556 8.1578e+05 2024-05-19 06:40:49,232 INFO [main.py:798]
{rank 0/64} MD step = 407600 step time: 00:00:00.324768 Performance: 32.763 ns/day 0.733 hours/ns 1.896 steps/s 2024-05-19 06:40:53,991 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 90.04 -19113 9868.5 -28981 -28981 4.6479 1.7763 -1.8553 8.1599e+05 2024-05-19 06:41:28,116 INFO [main.py:798]
{rank 0/64} MD step = 407700 step time: 00:00:00.326813 Performance: 32.765 ns/day 0.732 hours/ns 1.896 steps/s 2024-05-19 06:41:33,021 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 90.112 -19230 9876.4 -29106 -29106 4.6513 1.7784 -1.8555 8.1619e+05 2024-05-19 06:42:05,722 INFO [main.py:798]
{rank 0/64} MD step = 407800 step time: 00:00:00.326914 Performance: 32.767 ns/day 0.732 hours/ns 1.896 steps/s 2024-05-19 06:42:11,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407800 81560 89.129 -19405 9768.6 -29174 -29174 4.6545 1.7794 -1.8572 8.1636e+05 2024-05-19 06:42:43,743 INFO [main.py:798]
{rank 0/64} MD step = 407900 step time: 00:00:00.326116 Performance: 32.770 ns/day 0.732 hours/ns 1.896 steps/s 2024-05-19 06:43:00,499 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 90.426 -19240 9910.8 -29151 -29151 4.6584 1.7805 -1.8585 8.1655e+05 2024-05-19 06:43:32,934 INFO [main.py:798]
{rank 0/64} MD step = 408000 step time: 00:00:00.327436 Performance: 32.770 ns/day 0.732 hours/ns 1.896 steps/s 2024-05-19 06:43:38,573 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 89.229 -19218 9779.6 -28997 -28997 4.6634 1.7833 -1.8588 8.1676e+05 2024-05-19 06:44:11,072 INFO [main.py:798]
{rank 0/64} MD step = 408100 step time: 00:00:00.326185 Performance: 32.772 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:44:17,498 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 90.654 -18999 9935.8 -28935 -28935 4.6679 1.7849 -1.8608 8.1698e+05 2024-05-19 06:44:49,854 INFO [main.py:798]
{rank 0/64} MD step = 408200 step time: 00:00:00.326668 Performance: 32.774 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:44:56,926 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 91.264 -18933 10003 -28936 -28936 4.6701 1.7868 -1.8631 8.1718e+05 2024-05-19 06:45:29,330 INFO [main.py:798]
{rank 0/64} MD step = 408300 step time: 00:00:00.326796 Performance: 32.776 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:45:35,519 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 90.859 -19285 9958.2 -29243 -29243 4.6714 1.7893 -1.8644 8.1735e+05 2024-05-19 06:46:07,900 INFO [main.py:798]
{rank 0/64} MD step = 408400 step time: 00:00:00.325905 Performance: 32.779 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:46:13,784 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 91.281 -19222 10005 -29227 -29227 4.6737 1.7917 -1.8672 8.176e+05 2024-05-19 06:46:46,325 INFO [main.py:798]
{rank 0/64} MD step = 408500 step time: 00:00:00.326960 Performance: 32.781 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:46:52,118 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 89.988 -19286 9862.8 -29149 -29149 4.6757 1.7951 -1.8672 8.1782e+05 2024-05-19 06:47:24,442 INFO [main.py:798]
{rank 0/64} MD step = 408600 step time: 00:00:00.325742 Performance: 32.783 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:47:32,277 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 90.763 -19564 9947.7 -29512 -29512 4.6777 1.7988 -1.8674 8.1801e+05 2024-05-19 06:48:04,631 INFO [main.py:798]
{rank 0/64} MD step = 408700 step time: 00:00:00.326741 Performance: 32.785 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:48:14,230 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 89.389 -19548 9797.1 -29345 -29345 4.6801 1.8017 -1.8675 8.1826e+05 2024-05-19 06:48:46,589 INFO [main.py:798]
{rank 0/64} MD step = 408800 step time: 00:00:00.326490 Performance: 32.787 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:48:51,888 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 91.111 -19267 9985.9 -29253 -29253 4.6822 1.8059 -1.8686 8.1846e+05 2024-05-19 06:49:24,968 INFO [main.py:798]
{rank 0/64} MD step = 408900 step time: 00:00:00.325619 Performance: 32.789 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-19 06:49:31,016 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 88.189 -19605 9665.7 -29271 -29271 4.6851 1.8104 -1.8701 8.1867e+05 2024-05-19 06:50:03,590 INFO [main.py:798]
{rank 0/64} MD step = 409000 step time: 00:00:00.327260 Performance: 32.791 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-19 06:50:08,557 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 89.659 -19372 9826.7 -29199 -29199 4.6881 1.8127 -1.8717 8.1888e+05 2024-05-19 06:50:41,046 INFO [main.py:798]
{rank 0/64} MD step = 409100 step time: 00:00:00.326620 Performance: 32.793 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-19 06:50:48,112 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 89.237 -19358 9780.5 -29139 -29139 4.6924 1.8155 -1.8714 8.1908e+05 2024-05-19 06:51:20,510 INFO [main.py:798]
{rank 0/64} MD step = 409200 step time: 00:00:00.328126 Performance: 32.795 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-19 06:51:25,761 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 90.777 -18943 9949.3 -28893 -28893 4.6978 1.818 -1.8708 8.1935e+05 2024-05-19 06:51:59,855 INFO [main.py:798]
{rank 0/64} MD step = 409300 step time: 00:00:00.325960 Performance: 32.797 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-19 06:52:06,219 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 89.929 -19239 9856.3 -29096 -29096 4.7007 1.8215 -1.8721 8.1953e+05 2024-05-19 06:52:38,599 INFO [main.py:798]
{rank 0/64} MD step = 409400 step time: 00:00:00.325915 Performance: 32.799 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-19 06:52:44,038 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 89.593 -19171 9819.5 -28991 -28991 4.7041 1.8247 -1.8732 8.1971e+05 2024-05-19 06:53:16,756 INFO [main.py:798]
{rank 0/64} MD step = 409500 step time: 00:00:00.366871 Performance: 32.802 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-19 06:53:22,522 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 90.187 -19211 9884.6 -29096 -29096 4.7068 1.827 -1.8737 8.1989e+05 2024-05-19 06:53:54,937 INFO [main.py:798]
{rank 0/64} MD step = 409600 step time: 00:00:00.326599 Performance: 32.804 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-19 06:54:01,694 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 90.228 -19104 9889.1 -28993 -28993 4.7096 1.8281 -1.8744 8.2012e+05 2024-05-19 06:54:34,088 INFO [main.py:798]
{rank 0/64} MD step = 409700 step time: 00:00:00.326172 Performance: 32.806 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-19 06:54:40,438 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 90.121 -19372 9877.3 -29250 -29250 4.7138 1.8323 -1.877 8.2026e+05 2024-05-19 06:55:12,843 INFO [main.py:798]
{rank 0/64} MD step = 409800 step time: 00:00:00.326951 Performance: 32.808 ns/day 0.732 hours/ns 1.899 steps/s 2024-05-19 06:55:18,661 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 91.243 -19070 10000 -29071 -29071 4.7169 1.836 -1.8792 8.2049e+05 2024-05-19 06:55:51,093 INFO [main.py:798]
{rank 0/64} MD step = 409900 step time: 00:00:00.326980 Performance: 32.810 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-19 06:55:57,048 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 90.331 -19342 9900.4 -29243 -29243 4.7204 1.8397 -1.8798 8.2064e+05 2024-05-19 06:56:29,485 INFO [main.py:798]
{rank 0/64} MD step = 410000 step time: 00:00:00.327102 Performance: 32.812 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-19 06:56:35,665 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 90.02 -19209 9866.3 -29075 -29075 4.7238 1.8422 -1.8814 8.2093e+05 2024-05-19 06:57:08,059 INFO [main.py:798]
{rank 0/64} MD step = 410100 step time: 00:00:00.326799 Performance: 32.814 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-19 06:57:14,217 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 89.983 -19491 9862.2 -29354 -29354 4.7255 1.8439 -1.8825 8.2109e+05 2024-05-19 06:57:46,557 INFO [main.py:798]
{rank 0/64} MD step = 410200 step time: 00:00:00.326040 Performance: 32.817 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-19 06:58:05,887 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 89.138 -19521 9769.6 -29290 -29290 4.7284 1.8456 -1.8838 8.2126e+05 2024-05-19 06:58:38,302 INFO [main.py:798]
{rank 0/64} MD step = 410300 step time: 00:00:00.325902 Performance: 32.817 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-19 06:58:44,258 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 91.18 -19330 9993.5 -29324 -29324 4.7335 1.8472 -1.8839 8.2149e+05 2024-05-19 06:59:17,934 INFO [main.py:798]
{rank 0/64} MD step = 410400 step time: 00:00:00.327065 Performance: 32.819 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-19 06:59:25,080 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 89.368 -19303 9794.8 -29098 -29098 4.7386 1.851 -1.8835 8.2174e+05 2024-05-19 06:59:57,857 INFO [main.py:798]
{rank 0/64} MD step = 410500 step time: 00:00:00.326706 Performance: 32.821 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-19 07:00:04,282 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 89.875 -19327 9850.5 -29177 -29177 4.7427 1.8552 -1.8831 8.2197e+05 2024-05-19 07:00:37,061 INFO [main.py:798]
{rank 0/64} MD step = 410600 step time: 00:00:00.330008 Performance: 32.823 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-19 07:00:43,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410600 82120 90.186 -19240 9884.5 -29125 -29125 4.7483 1.8574 -1.8832 8.2219e+05 2024-05-19 07:01:16,148 INFO [main.py:798]
{rank 0/64} MD step = 410700 step time: 00:00:00.325591 Performance: 32.825 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-19 07:01:23,457 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 89.881 -19317 9851 -29168 -29168 4.753 1.8584 -1.8842 8.2238e+05 2024-05-19 07:01:56,537 INFO [main.py:798]
{rank 0/64} MD step = 410800 step time: 00:00:00.326802 Performance: 32.827 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-19 07:02:02,138 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 89.78 -19389 9840 -29229 -29229 4.7571 1.8611 -1.8846 8.226e+05 2024-05-19 07:02:35,000 INFO [main.py:798]
{rank 0/64} MD step = 410900 step time: 00:00:00.326821 Performance: 32.829 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-19 07:02:40,829 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 90.484 -19071 9917.2 -28988 -28988 4.7616 1.8641 -1.8832 8.2284e+05 2024-05-19 07:03:13,371 INFO [main.py:798]
{rank 0/64} MD step = 411000 step time: 00:00:00.325510 Performance: 32.831 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-19 07:03:18,652 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 90.99 -19217 9972.6 -29190 -29190 4.765 1.8678 -1.8869 8.2304e+05 2024-05-19 07:03:51,386 INFO [main.py:798]
{rank 0/64} MD step = 411100 step time: 00:00:00.328069 Performance: 32.833 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-19 07:03:58,036 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 91.438 -19333 10022 -29355 -29355 4.7695 1.8723 -1.8891 8.2319e+05 2024-05-19 07:04:30,741 INFO [main.py:798]
{rank 0/64} MD step = 411200 step time: 00:00:00.325233 Performance: 32.835 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-19 07:04:38,161 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 88.356 -19351 9683.9 -29035 -29035 4.773 1.8747 -1.8888 8.2344e+05 2024-05-19 07:05:11,016 INFO [main.py:798]
{rank 0/64} MD step = 411300 step time: 00:00:00.325165 Performance: 32.837 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-19 07:05:18,825 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 89.873 -19476 9850.2 -29326 -29326 4.7745 1.8786 -1.8883 8.2364e+05 2024-05-19 07:05:51,441 INFO [main.py:798]
{rank 0/64} MD step = 411400 step time: 00:00:00.326852 Performance: 32.839 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-19 07:05:58,210 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 89.28 -19422 9785.2 -29207 -29207 4.7783 1.8831 -1.8919 8.2386e+05 2024-05-19 07:06:30,750 INFO [main.py:798]
{rank 0/64} MD step = 411500 step time: 00:00:00.326790 Performance: 32.841 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-19 07:06:38,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411500 82300 91.356 -19142 10013 -29155 -29155 4.784 1.8886 -1.8934 8.2412e+05 2024-05-19 07:07:10,687 INFO [main.py:798]
{rank 0/64} MD step = 411600 step time: 00:00:00.325339 Performance: 32.843 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-19 07:07:17,464 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 89.143 -19447 9770.1 -29217 -29217 4.7862 1.8924 -1.8943 8.2436e+05 2024-05-19 07:07:49,854 INFO [main.py:798]
{rank 0/64} MD step = 411700 step time: 00:00:00.326933 Performance: 32.845 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-19 07:07:56,686 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 90.237 -19344 9890.1 -29234 -29234 4.7909 1.8965 -1.8954 8.2459e+05 2024-05-19 07:08:30,308 INFO [main.py:798]
{rank 0/64} MD step = 411800 step time: 00:00:00.325953 Performance: 32.847 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-19 07:08:36,480 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 90.504 -19235 9919.4 -29155 -29155 4.793 1.9012 -1.895 8.2478e+05 2024-05-19 07:09:08,907 INFO [main.py:798]
{rank 0/64} MD step = 411900 step time: 00:00:00.326450 Performance: 32.849 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-19 07:09:16,115 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 89.229 -19332 9779.6 -29112 -29112 4.7984 1.9065 -1.8972 8.2498e+05 2024-05-19 07:09:48,485 INFO [main.py:798]
{rank 0/64} MD step = 412000 step time: 00:00:00.325998 Performance: 32.851 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-19 07:09:54,248 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 90.959 -19152 9969.2 -29121 -29121 4.8031 1.91 -1.9001 8.2518e+05 2024-05-19 07:10:26,914 INFO [main.py:798]
{rank 0/64} MD step = 412100 step time: 00:00:00.334930 Performance: 32.853 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-19 07:10:32,709 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 90.525 -19107 9921.6 -29028 -29028 4.8061 1.9135 -1.9004 8.2541e+05 2024-05-19 07:11:05,322 INFO [main.py:798]
{rank 0/64} MD step = 412200 step time: 00:00:00.325725 Performance: 32.855 ns/day 0.730 hours/ns 1.901 steps/s 2024-05-19 07:11:11,919 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 90.377 -19259 9905.5 -29164 -29164 4.8105 1.9158 -1.9023 8.2564e+05 2024-05-19 07:11:44,484 INFO [main.py:798]
{rank 0/64} MD step = 412300 step time: 00:00:00.326354 Performance: 32.857 ns/day 0.730 hours/ns 1.901 steps/s 2024-05-19 07:11:50,179 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 90.136 -19029 9879 -28908 -28908 4.8131 1.9188 -1.9043 8.2581e+05 2024-05-19 07:12:23,023 INFO [main.py:798]
{rank 0/64} MD step = 412400 step time: 00:00:00.326994 Performance: 32.859 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:12:27,640 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 90.25 -19115 9891.5 -29007 -29007 4.8177 1.9226 -1.9062 8.2602e+05 2024-05-19 07:13:01,537 INFO [main.py:798]
{rank 0/64} MD step = 412500 step time: 00:00:00.326425 Performance: 32.861 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:13:08,468 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 90.189 -19150 9884.9 -29035 -29035 4.8223 1.9252 -1.9075 8.2621e+05 2024-05-19 07:13:41,078 INFO [main.py:798]
{rank 0/64} MD step = 412600 step time: 00:00:00.327495 Performance: 32.863 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:13:47,602 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 89.473 -19276 9806.3 -29082 -29082 4.8267 1.9295 -1.911 8.2646e+05 2024-05-19 07:14:20,045 INFO [main.py:798]
{rank 0/64} MD step = 412700 step time: 00:00:00.327137 Performance: 32.865 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:14:26,917 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 89.471 -19117 9806.1 -28923 -28923 4.8291 1.9332 -1.9125 8.2662e+05 2024-05-19 07:14:59,494 INFO [main.py:798]
{rank 0/64} MD step = 412800 step time: 00:00:00.325076 Performance: 32.867 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:15:08,342 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 89.376 -19206 9795.7 -29001 -29001 4.8315 1.9368 -1.9131 8.268e+05 2024-05-19 07:15:40,762 INFO [main.py:798]
{rank 0/64} MD step = 412900 step time: 00:00:00.327266 Performance: 32.869 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:15:45,854 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 90.694 -19222 9940.1 -29163 -29163 4.8349 1.9408 -1.9135 8.2703e+05 2024-05-19 07:16:19,763 INFO [main.py:798]
{rank 0/64} MD step = 413000 step time: 00:00:00.325307 Performance: 32.871 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:16:28,158 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 90.268 -19225 9893.5 -29118 -29118 4.8408 1.9427 -1.9142 8.272e+05 2024-05-19 07:17:00,632 INFO [main.py:798]
{rank 0/64} MD step = 413100 step time: 00:00:00.326221 Performance: 32.873 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:17:08,564 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 88.692 -19240 9720.8 -28961 -28961 4.8456 1.9433 -1.9154 8.2741e+05 2024-05-19 07:17:40,912 INFO [main.py:798]
{rank 0/64} MD step = 413200 step time: 00:00:00.327798 Performance: 32.875 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-19 07:17:46,888 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 90.171 -19070 9882.8 -28952 -28952 4.8504 1.9464 -1.9162 8.276e+05 2024-05-19 07:18:19,342 INFO [main.py:798]
{rank 0/64} MD step = 413300 step time: 00:00:00.326998 Performance: 32.877 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:18:29,107 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 90.467 -19069 9915.3 -28984 -28984 4.8544 1.9494 -1.9182 8.2781e+05 2024-05-19 07:19:01,493 INFO [main.py:798]
{rank 0/64} MD step = 413400 step time: 00:00:00.326400 Performance: 32.879 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:19:08,919 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 91.808 -18883 10062 -28946 -28946 4.8588 1.9525 -1.9191 8.2803e+05 2024-05-19 07:19:41,303 INFO [main.py:798]
{rank 0/64} MD step = 413500 step time: 00:00:00.326819 Performance: 32.880 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:19:48,426 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 89.301 -18916 9787.5 -28704 -28704 4.8627 1.9569 -1.9203 8.2828e+05 2024-05-19 07:20:21,077 INFO [main.py:798]
{rank 0/64} MD step = 413600 step time: 00:00:00.325900 Performance: 32.882 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:20:28,865 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 90.609 -18914 9930.9 -28845 -28845 4.8662 1.9605 -1.9201 8.2846e+05 2024-05-19 07:21:01,271 INFO [main.py:798]
{rank 0/64} MD step = 413700 step time: 00:00:00.326619 Performance: 32.884 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:21:08,153 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 89.341 -19046 9791.9 -28838 -28838 4.8699 1.9623 -1.9222 8.2871e+05 2024-05-19 07:21:40,591 INFO [main.py:798]
{rank 0/64} MD step = 413800 step time: 00:00:00.326810 Performance: 32.886 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:21:47,307 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 90.519 -18988 9921 -28909 -28909 4.8752 1.965 -1.9248 8.2889e+05 2024-05-19 07:22:20,855 INFO [main.py:798]
{rank 0/64} MD step = 413900 step time: 00:00:00.326203 Performance: 32.888 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:22:26,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413900 82780 90.457 -19180 9914.2 -29094 -29094 4.879 1.9695 -1.9277 8.2906e+05 2024-05-19 07:22:59,103 INFO [main.py:798]
{rank 0/64} MD step = 414000 step time: 00:00:00.330264 Performance: 32.890 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:23:04,265 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 90.16 -18872 9881.6 -28754 -28754 4.8842 1.9744 -1.9269 8.2929e+05 2024-05-19 07:23:37,452 INFO [main.py:798]
{rank 0/64} MD step = 414100 step time: 00:00:00.326048 Performance: 32.892 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-19 07:23:43,130 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 89.596 -19183 9819.9 -29003 -29003 4.8878 1.9758 -1.9274 8.2947e+05 2024-05-19 07:24:15,578 INFO [main.py:798]
{rank 0/64} MD step = 414200 step time: 00:00:00.326089 Performance: 32.895 ns/day 0.730 hours/ns 1.904 steps/s 2024-05-19 07:24:21,991 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 89.488 -19010 9808 -28818 -28818 4.8922 1.9793 -1.9298 8.2973e+05 2024-05-19 07:24:54,443 INFO [main.py:798]
{rank 0/64} MD step = 414300 step time: 00:00:00.326106 Performance: 32.897 ns/day 0.730 hours/ns 1.904 steps/s 2024-05-19 07:25:00,693 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 90.585 -18807 9928.2 -28735 -28735 4.8972 1.9819 -1.9309 8.2996e+05 2024-05-19 07:25:33,139 INFO [main.py:798]
{rank 0/64} MD step = 414400 step time: 00:00:00.325125 Performance: 32.899 ns/day 0.730 hours/ns 1.904 steps/s 2024-05-19 07:25:39,630 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 91.476 -18606 10026 -28632 -28632 4.9045 1.9833 -1.9317 8.3015e+05 2024-05-19 07:26:12,194 INFO [main.py:798]
{rank 0/64} MD step = 414500 step time: 00:00:00.327225 Performance: 32.901 ns/day 0.729 hours/ns 1.904 steps/s 2024-05-19 07:26:19,145 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 89.655 -18799 9826.4 -28625 -28625 4.908 1.9874 -1.9324 8.3034e+05 2024-05-19 07:26:51,521 INFO [main.py:798]
{rank 0/64} MD step = 414600 step time: 00:00:00.327051 Performance: 32.903 ns/day 0.729 hours/ns 1.904 steps/s 2024-05-19 07:26:55,893 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 88.937 -19033 9747.6 -28781 -28781 4.9108 1.9904 -1.9331 8.3054e+05 2024-05-19 07:27:29,469 INFO [main.py:798]
{rank 0/64} MD step = 414700 step time: 00:00:00.326851 Performance: 32.905 ns/day 0.729 hours/ns 1.904 steps/s 2024-05-19 07:27:36,227 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 90.406 -18977 9908.6 -28886 -28886 4.9129 1.9934 -1.9343 8.3072e+05 2024-05-19 07:28:08,642 INFO [main.py:798]
{rank 0/64} MD step = 414800 step time: 00:00:00.326425 Performance: 32.907 ns/day 0.729 hours/ns 1.904 steps/s 2024-05-19 07:28:15,986 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 89.996 -18944 9863.7 -28808 -28808 4.9167 1.9974 -1.9349 8.3089e+05 2024-05-19 07:28:48,418 INFO [main.py:798]
{rank 0/64} MD step = 414900 step time: 00:00:00.326042 Performance: 32.909 ns/day 0.729 hours/ns 1.904 steps/s 2024-05-19 07:28:57,453 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 91.143 -18855 9989.4 -28845 -28845 4.9199 2.0023 -1.9359 8.3113e+05 2024-05-19 07:29:29,837 INFO [main.py:798]
{rank 0/64} MD step = 415000 step time: 00:00:00.325655 Performance: 32.911 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:29:35,565 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 90.125 -19035 9877.8 -28913 -28913 4.9243 2.0065 -1.9365 8.3131e+05 2024-05-19 07:30:07,938 INFO [main.py:798]
{rank 0/64} MD step = 415100 step time: 00:00:00.325700 Performance: 32.913 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:30:15,590 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 90.461 -19001 9914.7 -28915 -28915 4.9283 2.0093 -1.9394 8.3149e+05 2024-05-19 07:30:48,095 INFO [main.py:798]
{rank 0/64} MD step = 415200 step time: 00:00:00.326386 Performance: 32.915 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:30:54,192 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 90.118 -19046 9877 -28923 -28923 4.9323 2.0143 -1.9398 8.3166e+05 2024-05-19 07:31:26,883 INFO [main.py:798]
{rank 0/64} MD step = 415300 step time: 00:00:00.343517 Performance: 32.917 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:31:34,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415300 83060 89.853 -19090 9848 -28938 -28938 4.9358 2.0168 -1.9406 8.3188e+05 2024-05-19 07:32:07,231 INFO [main.py:798]
{rank 0/64} MD step = 415400 step time: 00:00:00.325788 Performance: 32.919 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:32:18,176 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 90.441 -18914 9912.5 -28827 -28827 4.9414 2.0202 -1.9426 8.3209e+05 2024-05-19 07:32:51,148 INFO [main.py:798]
{rank 0/64} MD step = 415500 step time: 00:00:00.326205 Performance: 32.920 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:32:56,549 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 88.923 -19219 9746.1 -28965 -28965 4.9449 2.0227 -1.9443 8.3229e+05 2024-05-19 07:33:29,330 INFO [main.py:798]
{rank 0/64} MD step = 415600 step time: 00:00:00.325966 Performance: 32.922 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:33:34,103 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 90.624 -19185 9932.5 -29117 -29117 4.9485 2.0247 -1.9471 8.3247e+05 2024-05-19 07:34:07,797 INFO [main.py:798]
{rank 0/64} MD step = 415700 step time: 00:00:00.325968 Performance: 32.924 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:34:14,799 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 90.597 -19091 9929.5 -29020 -29020 4.9523 2.0265 -1.9499 8.3263e+05 2024-05-19 07:34:47,315 INFO [main.py:798]
{rank 0/64} MD step = 415800 step time: 00:00:00.326451 Performance: 32.926 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-19 07:34:54,704 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 89.815 -19273 9843.8 -29116 -29116 4.9568 2.0285 -1.9523 8.3282e+05 2024-05-19 07:35:28,099 INFO [main.py:798]
{rank 0/64} MD step = 415900 step time: 00:00:00.324936 Performance: 32.928 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:35:34,855 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 89.82 -19161 9844.4 -29006 -29006 4.9601 2.0324 -1.9536 8.3307e+05 2024-05-19 07:36:07,268 INFO [main.py:798]
{rank 0/64} MD step = 416000 step time: 00:00:00.326810 Performance: 32.930 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:36:13,988 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 89.186 -19059 9774.9 -28834 -28834 4.9626 2.0369 -1.9559 8.3326e+05 2024-05-19 07:36:46,545 INFO [main.py:798]
{rank 0/64} MD step = 416100 step time: 00:00:00.326330 Performance: 32.932 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:36:51,713 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 91.029 -19147 9976.9 -29124 -29124 4.9657 2.0402 -1.9568 8.3345e+05 2024-05-19 07:37:25,473 INFO [main.py:798]
{rank 0/64} MD step = 416200 step time: 00:00:00.326277 Performance: 32.934 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:37:31,616 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 91.989 -19090 10082 -29172 -29172 4.968 2.045 -1.9577 8.336e+05 2024-05-19 07:38:03,956 INFO [main.py:798]
{rank 0/64} MD step = 416300 step time: 00:00:00.325367 Performance: 32.936 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:38:10,405 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 88.281 -19207 9675.7 -28883 -28883 4.9703 2.0474 -1.9585 8.3385e+05 2024-05-19 07:38:42,835 INFO [main.py:798]
{rank 0/64} MD step = 416400 step time: 00:00:00.334595 Performance: 32.938 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:38:51,855 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 92.235 -18853 10109 -28962 -28962 4.9716 2.0498 -1.9585 8.3401e+05 2024-05-19 07:39:24,273 INFO [main.py:798]
{rank 0/64} MD step = 416500 step time: 00:00:00.326528 Performance: 32.940 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:39:31,222 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 89.713 -19018 9832.7 -28850 -28850 4.9747 2.0525 -1.9601 8.3423e+05 2024-05-19 07:40:03,626 INFO [main.py:798]
{rank 0/64} MD step = 416600 step time: 00:00:00.326017 Performance: 32.942 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:40:09,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416600 83320 90.207 -18995 9886.8 -28882 -28882 4.9784 2.0551 -1.9621 8.3442e+05 2024-05-19 07:40:41,431 INFO [main.py:798]
{rank 0/64} MD step = 416700 step time: 00:00:00.325761 Performance: 32.944 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-19 07:40:50,808 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 89.106 -18961 9766.1 -28728 -28728 4.9813 2.0568 -1.964 8.3466e+05 2024-05-19 07:41:23,427 INFO [main.py:798]
{rank 0/64} MD step = 416800 step time: 00:00:00.326611 Performance: 32.945 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:41:27,595 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 90.141 -19131 9879.6 -29011 -29011 4.983 2.0595 -1.9654 8.3485e+05 2024-05-19 07:42:01,839 INFO [main.py:798]
{rank 0/64} MD step = 416900 step time: 00:00:00.326935 Performance: 32.948 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:42:07,625 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 90.421 -19002 9910.3 -28912 -28912 4.9866 2.0617 -1.9675 8.3505e+05 2024-05-19 07:42:40,051 INFO [main.py:798]
{rank 0/64} MD step = 417000 step time: 00:00:00.327130 Performance: 32.950 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:42:44,871 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 90.606 -19121 9930.5 -29051 -29051 4.9873 2.0658 -1.969 8.3525e+05 2024-05-19 07:43:17,440 INFO [main.py:798]
{rank 0/64} MD step = 417100 step time: 00:00:00.325920 Performance: 32.952 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:43:23,336 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 90.541 -18996 9923.5 -28919 -28919 4.988 2.0664 -1.9699 8.3545e+05 2024-05-19 07:43:56,224 INFO [main.py:798]
{rank 0/64} MD step = 417200 step time: 00:00:00.325471 Performance: 32.954 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:44:03,273 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 89.978 -19008 9861.6 -28869 -28869 4.9897 2.0707 -1.9719 8.3567e+05 2024-05-19 07:44:36,201 INFO [main.py:798]
{rank 0/64} MD step = 417300 step time: 00:00:00.325706 Performance: 32.956 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:44:44,096 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 90.467 -18986 9915.3 -28901 -28901 4.9906 2.0772 -1.9745 8.3583e+05 2024-05-19 07:45:16,608 INFO [main.py:798]
{rank 0/64} MD step = 417400 step time: 00:00:00.327129 Performance: 32.958 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:45:21,208 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 88.317 -19292 9679.7 -28972 -28972 4.9917 2.0808 -1.9761 8.3606e+05 2024-05-19 07:45:53,697 INFO [main.py:798]
{rank 0/64} MD step = 417500 step time: 00:00:00.327138 Performance: 32.960 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:46:04,638 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 89.093 -18915 9764.7 -28680 -28680 4.9941 2.0851 -1.9779 8.3629e+05 2024-05-19 07:46:37,295 INFO [main.py:798]
{rank 0/64} MD step = 417600 step time: 00:00:00.326758 Performance: 32.961 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-19 07:46:43,395 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 88.896 -18807 9743.1 -28550 -28550 4.9959 2.0888 -1.9789 8.365e+05 2024-05-19 07:47:16,022 INFO [main.py:798]
{rank 0/64} MD step = 417700 step time: 00:00:00.326345 Performance: 32.963 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-19 07:47:24,169 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 88.636 -18936 9714.6 -28650 -28650 4.996 2.0905 -1.9798 8.3664e+05 2024-05-19 07:47:56,548 INFO [main.py:798]
{rank 0/64} MD step = 417800 step time: 00:00:00.325520 Performance: 32.965 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-19 07:48:03,850 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 90.211 -18708 9887.2 -28595 -28595 4.999 2.093 -1.9799 8.3685e+05 2024-05-19 07:48:36,320 INFO [main.py:798]
{rank 0/64} MD step = 417900 step time: 00:00:00.324933 Performance: 32.967 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-19 07:48:42,548 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 88.969 -19116 9751.1 -28867 -28867 4.9999 2.0975 -1.9802 8.3701e+05 2024-05-19 07:49:14,970 INFO [main.py:798]
{rank 0/64} MD step = 418000 step time: 00:00:00.325477 Performance: 32.969 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-19 07:49:20,291 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 90.592 -18801 9929 -28730 -28730 5.0016 2.1012 -1.9802 8.3718e+05 2024-05-19 07:49:52,849 INFO [main.py:798]
{rank 0/64} MD step = 418100 step time: 00:00:00.326303 Performance: 32.971 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-19 07:49:58,905 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 90.225 -18908 9888.8 -28797 -28797 5.0017 2.1041 -1.9805 8.3743e+05 2024-05-19 07:50:31,344 INFO [main.py:798]
{rank 0/64} MD step = 418200 step time: 00:00:00.326247 Performance: 32.973 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-19 07:50:35,526 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 90.223 -18790 9888.6 -28678 -28678 5.0019 2.107 -1.9807 8.3762e+05 2024-05-19 07:51:08,879 INFO [main.py:798]
{rank 0/64} MD step = 418300 step time: 00:00:00.327343 Performance: 32.976 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-19 07:51:14,475 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 90.007 -18905 9864.9 -28770 -28770 5.0015 2.1105 -1.9829 8.3781e+05 2024-05-19 07:51:47,089 INFO [main.py:798]
{rank 0/64} MD step = 418400 step time: 00:00:00.326420 Performance: 32.978 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-19 07:51:52,383 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 89.43 -18894 9801.6 -28695 -28695 5.001 2.1147 -1.9826 8.3801e+05 2024-05-19 07:52:25,038 INFO [main.py:798]
{rank 0/64} MD step = 418500 step time: 00:00:00.326015 Performance: 32.980 ns/day 0.728 hours/ns 1.909 steps/s 2024-05-19 07:52:31,924 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 90.417 -18831 9909.8 -28740 -28740 5.0011 2.1198 -1.9839 8.3815e+05 2024-05-19 07:53:04,543 INFO [main.py:798]
{rank 0/64} MD step = 418600 step time: 00:00:00.326734 Performance: 32.982 ns/day 0.728 hours/ns 1.909 steps/s 2024-05-19 07:53:08,494 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 89.507 -19021 9810.1 -28831 -28831 5.0022 2.1236 -1.9838 8.3837e+05 2024-05-19 07:53:42,270 INFO [main.py:798]
{rank 0/64} MD step = 418700 step time: 00:00:00.326735 Performance: 32.984 ns/day 0.728 hours/ns 1.909 steps/s 2024-05-19 07:53:48,495 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 90.44 -18652 9912.4 -28565 -28565 5.0024 2.1289 -1.9844 8.3859e+05 2024-05-19 07:54:20,927 INFO [main.py:798]
{rank 0/64} MD step = 418800 step time: 00:00:00.326141 Performance: 32.986 ns/day 0.728 hours/ns 1.909 steps/s 2024-05-19 07:54:27,593 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 88.991 -19048 9753.6 -28802 -28802 5.0024 2.1335 -1.9867 8.3879e+05 2024-05-19 07:55:00,327 INFO [main.py:798]
{rank 0/64} MD step = 418900 step time: 00:00:00.326082 Performance: 32.988 ns/day 0.728 hours/ns 1.909 steps/s 2024-05-19 07:55:06,576 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 89.561 -18744 9816 -28560 -28560 5.0029 2.1377 -1.9882 8.39e+05 2024-05-19 07:55:39,427 INFO [main.py:798]
{rank 0/64} MD step = 419000 step time: 00:00:00.325613 Performance: 32.990 ns/day 0.727 hours/ns 1.909 steps/s 2024-05-19 07:55:43,710 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 91.271 -18627 10003 -28630 -28630 5.0021 2.1415 -1.9888 8.3918e+05 2024-05-19 07:56:17,002 INFO [main.py:798]
{rank 0/64} MD step = 419100 step time: 00:00:00.331857 Performance: 32.992 ns/day 0.727 hours/ns 1.909 steps/s 2024-05-19 07:56:23,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419100 83820 90.357 -18794 9903.2 -28697 -28697 5.0024 2.1456 -1.9887 8.3937e+05 2024-05-19 07:56:56,094 INFO [main.py:798]
{rank 0/64} MD step = 419200 step time: 00:00:00.326698 Performance: 32.994 ns/day 0.727 hours/ns 1.909 steps/s 2024-05-19 07:57:02,072 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 89.443 -18881 9803 -28684 -28684 5.0049 2.1491 -1.9886 8.3959e+05 2024-05-19 07:57:34,481 INFO [main.py:798]
{rank 0/64} MD step = 419300 step time: 00:00:00.326450 Performance: 32.997 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 07:57:40,905 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 90.278 -18743 9894.5 -28637 -28637 5.0065 2.1522 -1.9902 8.3981e+05 2024-05-19 07:58:15,334 INFO [main.py:798]
{rank 0/64} MD step = 419400 step time: 00:00:00.326430 Performance: 32.998 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 07:58:21,491 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 90.017 -18754 9866 -28620 -28620 5.0082 2.1566 -1.9903 8.4002e+05 2024-05-19 07:58:53,873 INFO [main.py:798]
{rank 0/64} MD step = 419500 step time: 00:00:00.326547 Performance: 33.000 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 07:59:00,865 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 90.445 -18659 9912.9 -28572 -28572 5.0113 2.1604 -1.9923 8.4022e+05 2024-05-19 07:59:33,282 INFO [main.py:798]
{rank 0/64} MD step = 419600 step time: 00:00:00.326159 Performance: 33.002 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 07:59:37,207 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 88.877 -18939 9741.1 -28680 -28680 5.0126 2.1636 -1.993 8.4041e+05 2024-05-19 08:00:11,270 INFO [main.py:798]
{rank 0/64} MD step = 419700 step time: 00:00:00.326853 Performance: 33.004 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 08:00:22,251 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 89.789 -18666 9841 -28507 -28507 5.0136 2.1672 -1.9936 8.4066e+05 2024-05-19 08:00:54,743 INFO [main.py:798]
{rank 0/64} MD step = 419800 step time: 00:00:00.325441 Performance: 33.006 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 08:01:00,177 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 91.155 -18599 9990.7 -28590 -28590 5.0136 2.1687 -1.9957 8.4081e+05 2024-05-19 08:01:32,604 INFO [main.py:798]
{rank 0/64} MD step = 419900 step time: 00:00:00.326585 Performance: 33.008 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 08:01:43,489 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 88.99 -18857 9753.4 -28610 -28610 5.0143 2.1724 -1.996 8.4099e+05 2024-05-19 08:02:17,396 INFO [main.py:798]
{rank 0/64} MD step = 420000 step time: 00:00:00.327093 Performance: 33.009 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 08:02:24,996 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 90.132 -18643 9878.6 -28522 -28522 5.0156 2.1763 -1.996 8.4122e+05 2024-05-19 08:02:57,934 INFO [main.py:798]
{rank 0/64} MD step = 420100 step time: 00:00:00.325153 Performance: 33.011 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 08:03:05,140 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 90.027 -18577 9867 -28444 -28444 5.0146 2.1809 -1.9969 8.4137e+05 2024-05-19 08:03:39,573 INFO [main.py:798]
{rank 0/64} MD step = 420200 step time: 00:00:00.326571 Performance: 33.012 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-19 08:03:48,427 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 90.135 -18525 9878.9 -28404 -28404 5.0135 2.1835 -1.9999 8.4157e+05 2024-05-19 08:04:20,890 INFO [main.py:798]
{rank 0/64} MD step = 420300 step time: 00:00:00.326292 Performance: 33.014 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-19 08:04:26,288 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 89.654 -18673 9826.2 -28500 -28500 5.0166 2.1858 -1.9997 8.4173e+05 2024-05-19 08:04:59,418 INFO [main.py:798]
{rank 0/64} MD step = 420400 step time: 00:00:00.325892 Performance: 33.016 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-19 08:05:05,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420400 84080 89.983 -18727 9862.2 -28589 -28589 5.0172 2.1909 -2.002 8.4187e+05 2024-05-19 08:05:37,851 INFO [main.py:798]
{rank 0/64} MD step = 420500 step time: 00:00:00.326318 Performance: 33.018 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-19 08:05:42,350 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 90.531 -18913 9922.4 -28835 -28835 5.0178 2.1938 -2.0047 8.4208e+05 2024-05-19 08:06:14,882 INFO [main.py:798]
{rank 0/64} MD step = 420600 step time: 00:00:00.326347 Performance: 33.021 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-19 08:06:20,888 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 91.282 -18535 10005 -28540 -28540 5.018 2.1959 -2.0045 8.4232e+05 2024-05-19 08:06:53,277 INFO [main.py:798]
{rank 0/64} MD step = 420700 step time: 00:00:00.326115 Performance: 33.023 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-19 08:06:58,753 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 89.593 -18833 9819.5 -28653 -28653 5.0198 2.1978 -2.006 8.425e+05 2024-05-19 08:07:31,443 INFO [main.py:798]
{rank 0/64} MD step = 420800 step time: 00:00:00.326429 Performance: 33.025 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-19 08:07:36,790 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 89.977 -18867 9861.6 -28729 -28729 5.0225 2.2003 -2.0062 8.4267e+05 2024-05-19 08:08:09,178 INFO [main.py:798]
{rank 0/64} MD step = 420900 step time: 00:00:00.326071 Performance: 33.027 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-19 08:08:15,001 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 89.414 -18924 9799.9 -28724 -28724 5.0218 2.2048 -2.0071 8.4288e+05 2024-05-19 08:08:47,432 INFO [main.py:798]
{rank 0/64} MD step = 421000 step time: 00:00:00.326056 Performance: 33.029 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-19 08:08:52,665 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 89.661 -18908 9826.9 -28735 -28735 5.0216 2.2077 -2.0089 8.4306e+05 2024-05-19 08:09:25,084 INFO [main.py:798]
{rank 0/64} MD step = 421100 step time: 00:00:00.325316 Performance: 33.031 ns/day 0.727 hours/ns 1.912 steps/s 2024-05-19 08:09:30,492 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 89.557 -19068 9815.5 -28884 -28884 5.0229 2.2091 -2.0102 8.4324e+05 2024-05-19 08:10:02,887 INFO [main.py:798]
{rank 0/64} MD step = 421200 step time: 00:00:00.326256 Performance: 33.033 ns/day 0.727 hours/ns 1.912 steps/s 2024-05-19 08:10:07,931 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 89.926 -18951 9856 -28807 -28807 5.0239 2.2144 -2.0114 8.4347e+05 2024-05-19 08:10:40,569 INFO [main.py:798]
{rank 0/64} MD step = 421300 step time: 00:00:00.327064 Performance: 33.036 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-19 08:10:45,077 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 90.649 -18621 9935.3 -28557 -28557 5.0234 2.2188 -2.011 8.4372e+05 2024-05-19 08:11:18,972 INFO [main.py:798]
{rank 0/64} MD step = 421400 step time: 00:00:00.326328 Performance: 33.038 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-19 08:11:24,777 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 88.315 -19035 9679.4 -28714 -28714 5.024 2.2214 -2.012 8.4391e+05 2024-05-19 08:11:57,223 INFO [main.py:798]
{rank 0/64} MD step = 421500 step time: 00:00:00.326291 Performance: 33.040 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-19 08:12:05,277 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 90.697 -18698 9940.5 -28638 -28638 5.0228 2.2246 -2.0121 8.4409e+05 2024-05-19 08:12:37,728 INFO [main.py:798]
{rank 0/64} MD step = 421600 step time: 00:00:00.326585 Performance: 33.042 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-19 08:12:43,683 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 90.318 -18931 9898.9 -28830 -28830 5.0206 2.2261 -2.0119 8.4424e+05 2024-05-19 08:13:16,267 INFO [main.py:798]
{rank 0/64} MD step = 421700 step time: 00:00:00.326971 Performance: 33.044 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-19 08:13:21,654 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 89.689 -18763 9830 -28593 -28593 5.0201 2.2294 -2.0129 8.4447e+05 2024-05-19 08:13:54,074 INFO [main.py:798]
{rank 0/64} MD step = 421800 step time: 00:00:00.326216 Performance: 33.046 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-19 08:13:59,663 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 88.535 -18970 9703.6 -28673 -28673 5.0211 2.2336 -2.0127 8.4467e+05 2024-05-19 08:14:32,151 INFO [main.py:798]
{rank 0/64} MD step = 421900 step time: 00:00:00.326151 Performance: 33.048 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-19 08:14:37,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421900 84380 88.874 -19045 9740.7 -28786 -28786 5.022 2.2375 -2.0135 8.4487e+05 2024-05-19 08:15:10,984 INFO [main.py:798]
{rank 0/64} MD step = 422000 step time: 00:00:00.326413 Performance: 33.050 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-19 08:15:26,936 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 91.275 -18872 10004 -28876 -28876 5.0225 2.2392 -2.0131 8.4504e+05 2024-05-19 08:15:59,406 INFO [main.py:798]
{rank 0/64} MD step = 422100 step time: 00:00:00.325994 Performance: 33.051 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-19 08:16:03,718 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 90.771 -18840 9948.6 -28788 -28788 5.0225 2.2419 -2.0119 8.4525e+05 2024-05-19 08:16:36,487 INFO [main.py:798]
{rank 0/64} MD step = 422200 step time: 00:00:00.325514 Performance: 33.053 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-19 08:16:41,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422200 84440 89.059 -18659 9760.9 -28420 -28420 5.022 2.246 -2.0122 8.4548e+05 2024-05-19 08:17:14,150 INFO [main.py:798]
{rank 0/64} MD step = 422300 step time: 00:00:00.325888 Performance: 33.055 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-19 08:17:19,791 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 89.168 -19050 9772.9 -28823 -28823 5.0202 2.2492 -2.0127 8.4562e+05 2024-05-19 08:17:52,237 INFO [main.py:798]
{rank 0/64} MD step = 422400 step time: 00:00:00.326794 Performance: 33.057 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-19 08:17:58,138 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 88.784 -19338 9730.8 -29068 -29068 5.0199 2.2512 -2.0133 8.4582e+05 2024-05-19 08:18:30,676 INFO [main.py:798]
{rank 0/64} MD step = 422500 step time: 00:00:00.326831 Performance: 33.059 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-19 08:18:37,315 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 89.008 -19252 9755.4 -29007 -29007 5.0204 2.2559 -2.0143 8.4604e+05 2024-05-19 08:19:09,709 INFO [main.py:798]
{rank 0/64} MD step = 422600 step time: 00:00:00.325183 Performance: 33.061 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-19 08:19:15,906 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 89.184 -19091 9774.7 -28866 -28866 5.0189 2.2584 -2.0141 8.4621e+05 2024-05-19 08:19:48,308 INFO [main.py:798]
{rank 0/64} MD step = 422700 step time: 00:00:00.325816 Performance: 33.063 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-19 08:19:54,081 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 88.952 -19036 9749.2 -28786 -28786 5.0171 2.26 -2.0155 8.4644e+05 2024-05-19 08:20:26,481 INFO [main.py:798]
{rank 0/64} MD step = 422800 step time: 00:00:00.325952 Performance: 33.065 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-19 08:20:32,128 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 91.117 -19214 9986.6 -29201 -29201 5.017 2.2625 -2.0176 8.4657e+05 2024-05-19 08:21:04,828 INFO [main.py:798]
{rank 0/64} MD step = 422900 step time: 00:00:00.325658 Performance: 33.067 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-19 08:21:10,717 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 90.325 -19115 9899.7 -29015 -29015 5.0139 2.2661 -2.0172 8.4677e+05 2024-05-19 08:21:43,124 INFO [main.py:798]
{rank 0/64} MD step = 423000 step time: 00:00:00.326834 Performance: 33.070 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-19 08:21:48,904 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 89.017 -19311 9756.3 -29067 -29067 5.0149 2.2704 -2.0184 8.4694e+05 2024-05-19 08:22:21,475 INFO [main.py:798]
{rank 0/64} MD step = 423100 step time: 00:00:00.326981 Performance: 33.072 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-19 08:22:27,831 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 90.431 -19024 9911.4 -28935 -28935 5.0158 2.2739 -2.0197 8.4717e+05 2024-05-19 08:23:00,284 INFO [main.py:798]
{rank 0/64} MD step = 423200 step time: 00:00:00.325814 Performance: 33.074 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-19 08:23:06,421 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 90.129 -19016 9878.2 -28894 -28894 5.0158 2.2767 -2.0214 8.4736e+05 2024-05-19 08:23:39,534 INFO [main.py:798]
{rank 0/64} MD step = 423300 step time: 00:00:00.326255 Performance: 33.076 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-19 08:23:45,460 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 89.835 -18906 9846 -28752 -28752 5.0176 2.2786 -2.0207 8.4759e+05 2024-05-19 08:24:17,857 INFO [main.py:798]
{rank 0/64} MD step = 423400 step time: 00:00:00.326231 Performance: 33.078 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-19 08:24:23,396 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 89.273 -19045 9784.4 -28830 -28830 5.0195 2.2804 -2.0221 8.4777e+05 2024-05-19 08:24:55,849 INFO [main.py:798]
{rank 0/64} MD step = 423500 step time: 00:00:00.325120 Performance: 33.080 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-19 08:25:03,096 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 88.563 -19025 9706.6 -28731 -28731 5.022 2.2822 -2.0218 8.4798e+05 2024-05-19 08:25:35,730 INFO [main.py:798]
{rank 0/64} MD step = 423600 step time: 00:00:00.325537 Performance: 33.082 ns/day 0.725 hours/ns 1.914 steps/s 2024-05-19 08:25:41,894 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 89.758 -18969 9837.6 -28807 -28807 5.0242 2.2846 -2.0215 8.4812e+05 2024-05-19 08:26:14,434 INFO [main.py:798]
{rank 0/64} MD step = 423700 step time: 00:00:00.326500 Performance: 33.084 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:26:21,735 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 90.314 -18841 9898.5 -28739 -28739 5.0273 2.2896 -2.0232 8.4836e+05 2024-05-19 08:26:54,484 INFO [main.py:798]
{rank 0/64} MD step = 423800 step time: 00:00:00.326577 Performance: 33.085 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:27:02,444 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 90.309 -18820 9898 -28718 -28718 5.0286 2.2935 -2.0248 8.4857e+05 2024-05-19 08:27:34,895 INFO [main.py:798]
{rank 0/64} MD step = 423900 step time: 00:00:00.327090 Performance: 33.087 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:27:40,974 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 90.598 -18863 9929.7 -28793 -28793 5.0314 2.2977 -2.0254 8.4874e+05 2024-05-19 08:28:13,653 INFO [main.py:798]
{rank 0/64} MD step = 424000 step time: 00:00:00.325831 Performance: 33.089 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:28:19,716 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 90.764 -18801 9947.9 -28749 -28749 5.0335 2.3022 -2.0263 8.4899e+05 2024-05-19 08:28:52,166 INFO [main.py:798]
{rank 0/64} MD step = 424100 step time: 00:00:00.326582 Performance: 33.091 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:28:57,869 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 90.191 -18918 9885 -28803 -28803 5.0338 2.3067 -2.0271 8.4917e+05 2024-05-19 08:29:30,819 INFO [main.py:798]
{rank 0/64} MD step = 424200 step time: 00:00:00.326547 Performance: 33.093 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:29:42,201 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 89.527 -19078 9812.2 -28890 -28890 5.0347 2.3092 -2.0273 8.4934e+05 2024-05-19 08:30:14,812 INFO [main.py:798]
{rank 0/64} MD step = 424300 step time: 00:00:00.326234 Performance: 33.095 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:30:21,440 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 89.481 -19132 9807.2 -28940 -28940 5.0352 2.3142 -2.0288 8.4957e+05 2024-05-19 08:30:54,114 INFO [main.py:798]
{rank 0/64} MD step = 424400 step time: 00:00:00.325549 Performance: 33.096 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:30:59,636 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 89.908 -19128 9854 -28982 -28982 5.0365 2.3191 -2.0304 8.4975e+05 2024-05-19 08:31:33,557 INFO [main.py:798]
{rank 0/64} MD step = 424500 step time: 00:00:00.325854 Performance: 33.098 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-19 08:31:39,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424500 84900 89.237 -19139 9780.5 -28919 -28919 5.0359 2.3244 -2.0306 8.4995e+05 2024-05-19 08:32:11,483 INFO [main.py:798]
{rank 0/64} MD step = 424600 step time: 00:00:00.326610 Performance: 33.100 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:32:21,339 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 89.072 -19068 9762.4 -28831 -28831 5.0384 2.3298 -2.0329 8.5015e+05 2024-05-19 08:32:53,785 INFO [main.py:798]
{rank 0/64} MD step = 424700 step time: 00:00:00.326650 Performance: 33.102 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:33:02,466 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 88.728 -19222 9724.7 -28947 -28947 5.039 2.3319 -2.0339 8.5034e+05 2024-05-19 08:33:35,189 INFO [main.py:798]
{rank 0/64} MD step = 424800 step time: 00:00:00.326449 Performance: 33.104 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:33:41,039 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 90.599 -19031 9929.7 -28961 -28961 5.0405 2.3345 -2.0335 8.5059e+05 2024-05-19 08:34:13,944 INFO [main.py:798]
{rank 0/64} MD step = 424900 step time: 00:00:00.325075 Performance: 33.106 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:34:22,886 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 89.547 -19137 9814.5 -28952 -28952 5.0429 2.338 -2.0341 8.5084e+05 2024-05-19 08:34:55,272 INFO [main.py:798]
{rank 0/64} MD step = 425000 step time: 00:00:00.325795 Performance: 33.107 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:35:03,459 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 90.679 -18943 9938.5 -28882 -28882 5.0423 2.341 -2.0351 8.51e+05 2024-05-19 08:35:35,961 INFO [main.py:798]
{rank 0/64} MD step = 425100 step time: 00:00:00.325883 Performance: 33.109 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:35:41,135 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 89.343 -19112 9792.1 -28904 -28904 5.0414 2.3435 -2.0371 8.5121e+05 2024-05-19 08:36:13,879 INFO [main.py:798]
{rank 0/64} MD step = 425200 step time: 00:00:00.325598 Performance: 33.111 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:36:18,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425200 85040 90.071 -18926 9871.8 -28798 -28798 5.0391 2.3465 -2.0379 8.5142e+05 2024-05-19 08:36:51,748 INFO [main.py:798]
{rank 0/64} MD step = 425300 step time: 00:00:00.325724 Performance: 33.113 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:36:56,110 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 89.401 -19227 9798.4 -29025 -29025 5.0383 2.3513 -2.0396 8.5165e+05 2024-05-19 08:37:29,967 INFO [main.py:798]
{rank 0/64} MD step = 425400 step time: 00:00:00.326862 Performance: 33.115 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-19 08:37:34,573 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 89.19 -19144 9775.4 -28919 -28919 5.0369 2.3537 -2.0398 8.519e+05 2024-05-19 08:38:07,058 INFO [main.py:798]
{rank 0/64} MD step = 425500 step time: 00:00:00.329188 Performance: 33.118 ns/day 0.725 hours/ns 1.917 steps/s 2024-05-19 08:38:13,214 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 90.029 -18979 9867.3 -28846 -28846 5.0365 2.3546 -2.04 8.5206e+05 2024-05-19 08:38:46,138 INFO [main.py:798]
{rank 0/64} MD step = 425600 step time: 00:00:00.326540 Performance: 33.119 ns/day 0.725 hours/ns 1.917 steps/s 2024-05-19 08:38:53,058 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 89.513 -19239 9810.8 -29050 -29050 5.0354 2.3574 -2.0408 8.523e+05 2024-05-19 08:39:25,497 INFO [main.py:798]
{rank 0/64} MD step = 425700 step time: 00:00:00.326030 Performance: 33.121 ns/day 0.725 hours/ns 1.917 steps/s 2024-05-19 08:39:32,559 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 89.701 -19123 9831.4 -28955 -28955 5.0366 2.3604 -2.0409 8.5248e+05 2024-05-19 08:40:04,990 INFO [main.py:798]
{rank 0/64} MD step = 425800 step time: 00:00:00.326385 Performance: 33.123 ns/day 0.725 hours/ns 1.917 steps/s 2024-05-19 08:40:11,105 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 89.249 -19349 9781.8 -29131 -29131 5.0357 2.3643 -2.0428 8.5267e+05 2024-05-19 08:40:43,696 INFO [main.py:798]
{rank 0/64} MD step = 425900 step time: 00:00:00.325810 Performance: 33.125 ns/day 0.725 hours/ns 1.917 steps/s 2024-05-19 08:40:49,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425900 85180 88.345 -19251 9682.7 -28934 -28934 5.0366 2.3678 -2.0425 8.5288e+05 2024-05-19 08:41:22,212 INFO [main.py:798]
{rank 0/64} MD step = 426000 step time: 00:00:00.326656 Performance: 33.127 ns/day 0.724 hours/ns 1.917 steps/s 2024-05-19 08:41:26,757 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 90.366 -19303 9904.3 -29207 -29207 5.0382 2.3724 -2.0419 8.5303e+05 2024-05-19 08:42:00,384 INFO [main.py:798]
{rank 0/64} MD step = 426100 step time: 00:00:00.326615 Performance: 33.129 ns/day 0.724 hours/ns 1.917 steps/s 2024-05-19 08:42:05,659 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 88.714 -19409 9723.2 -29132 -29132 5.0397 2.3754 -2.0431 8.5325e+05 2024-05-19 08:42:38,056 INFO [main.py:798]
{rank 0/64} MD step = 426200 step time: 00:00:00.326862 Performance: 33.132 ns/day 0.724 hours/ns 1.917 steps/s 2024-05-19 08:42:43,794 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 88.925 -19365 9746.3 -29111 -29111 5.04 2.3792 -2.0434 8.5343e+05 2024-05-19 08:43:16,216 INFO [main.py:798]
{rank 0/64} MD step = 426300 step time: 00:00:00.326429 Performance: 33.134 ns/day 0.724 hours/ns 1.917 steps/s 2024-05-19 08:43:21,860 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 89.189 -19139 9775.2 -28914 -28914 5.0394 2.3824 -2.044 8.5368e+05 2024-05-19 08:43:54,388 INFO [main.py:798]
{rank 0/64} MD step = 426400 step time: 00:00:00.325684 Performance: 33.136 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:43:59,703 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 90.718 -19033 9942.8 -28976 -28976 5.0406 2.3848 -2.0461 8.5385e+05 2024-05-19 08:44:32,307 INFO [main.py:798]
{rank 0/64} MD step = 426500 step time: 00:00:00.325715 Performance: 33.138 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:44:38,523 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 89.528 -19451 9812.4 -29264 -29264 5.0397 2.389 -2.0479 8.5401e+05 2024-05-19 08:45:11,480 INFO [main.py:798]
{rank 0/64} MD step = 426600 step time: 00:00:00.327126 Performance: 33.140 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:45:18,247 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 89.865 -19166 9849.3 -29016 -29016 5.0388 2.3933 -2.0505 8.5423e+05 2024-05-19 08:45:51,013 INFO [main.py:798]
{rank 0/64} MD step = 426700 step time: 00:00:00.327193 Performance: 33.142 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:46:02,175 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 89.054 -19197 9760.4 -28957 -28957 5.0383 2.3961 -2.0532 8.5446e+05 2024-05-19 08:46:36,116 INFO [main.py:798]
{rank 0/64} MD step = 426800 step time: 00:00:00.327110 Performance: 33.143 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:46:41,106 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 89.711 -19471 9832.4 -29304 -29304 5.0386 2.3994 -2.0545 8.5464e+05 2024-05-19 08:47:13,916 INFO [main.py:798]
{rank 0/64} MD step = 426900 step time: 00:00:00.343922 Performance: 33.145 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:47:18,080 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 91.054 -19232 9979.6 -29212 -29212 5.0392 2.4052 -2.057 8.5484e+05 2024-05-19 08:47:52,236 INFO [main.py:798]
{rank 0/64} MD step = 427000 step time: 00:00:00.326832 Performance: 33.147 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:48:02,347 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 90.329 -19109 9900.2 -29009 -29009 5.0378 2.4086 -2.058 8.5505e+05 2024-05-19 08:48:34,952 INFO [main.py:798]
{rank 0/64} MD step = 427100 step time: 00:00:00.326225 Performance: 33.148 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:48:43,410 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 90.788 -19270 9950.5 -29220 -29220 5.0364 2.4132 -2.0578 8.5522e+05 2024-05-19 08:49:15,852 INFO [main.py:798]
{rank 0/64} MD step = 427200 step time: 00:00:00.325440 Performance: 33.150 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:49:24,353 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 88.525 -19432 9702.5 -29135 -29135 5.0348 2.416 -2.0578 8.5544e+05 2024-05-19 08:49:56,947 INFO [main.py:798]
{rank 0/64} MD step = 427300 step time: 00:00:00.414771 Performance: 33.152 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-19 08:50:06,060 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 90.694 -19273 9940.2 -29213 -29213 5.0368 2.4169 -2.0591 8.5564e+05 2024-05-19 08:50:38,647 INFO [main.py:798]
{rank 0/64} MD step = 427400 step time: 00:00:00.325711 Performance: 33.153 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-19 08:50:46,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427400 85480 90.107 -19075 9875.8 -28951 -28951 5.037 2.4207 -2.0605 8.5587e+05 2024-05-19 08:51:19,086 INFO [main.py:798]
{rank 0/64} MD step = 427500 step time: 00:00:00.326458 Performance: 33.155 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-19 08:51:26,318 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 90.124 -19188 9877.7 -29066 -29066 5.0392 2.4239 -2.0599 8.5606e+05 2024-05-19 08:51:58,837 INFO [main.py:798]
{rank 0/64} MD step = 427600 step time: 00:00:00.326404 Performance: 33.157 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-19 08:52:02,643 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 90.215 -19196 9887.7 -29083 -29083 5.0382 2.4271 -2.0604 8.5624e+05 2024-05-19 08:52:36,636 INFO [main.py:798]
{rank 0/64} MD step = 427700 step time: 00:00:00.332324 Performance: 33.159 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-19 08:52:41,957 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 90.043 -19213 9868.8 -29081 -29081 5.0384 2.4299 -2.0606 8.5641e+05 2024-05-19 08:53:14,466 INFO [main.py:798]
{rank 0/64} MD step = 427800 step time: 00:00:00.326662 Performance: 33.161 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-19 08:53:19,671 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 89.968 -19088 9860.6 -28949 -28949 5.0383 2.4346 -2.0609 8.5666e+05 2024-05-19 08:53:52,054 INFO [main.py:798]
{rank 0/64} MD step = 427900 step time: 00:00:00.325859 Performance: 33.163 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-19 08:53:58,623 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 91.076 -19093 9982.1 -29075 -29075 5.0369 2.4399 -2.0628 8.5686e+05 2024-05-19 08:54:31,146 INFO [main.py:798]
{rank 0/64} MD step = 428000 step time: 00:00:00.326073 Performance: 33.165 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-19 08:54:35,481 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 91.168 -19174 9992.2 -29166 -29166 5.0348 2.4452 -2.066 8.5703e+05 2024-05-19 08:55:09,859 INFO [main.py:798]
{rank 0/64} MD step = 428100 step time: 00:00:00.325592 Performance: 33.167 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-19 08:55:15,606 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 89.853 -19344 9848 -29192 -29192 5.0348 2.4494 -2.0678 8.5723e+05 2024-05-19 08:55:48,108 INFO [main.py:798]
{rank 0/64} MD step = 428200 step time: 00:00:00.325405 Performance: 33.169 ns/day 0.724 hours/ns 1.920 steps/s 2024-05-19 08:55:53,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428200 85640 90.146 -19468 9880.2 -29348 -29348 5.032 2.4535 -2.0699 8.574e+05 2024-05-19 08:56:26,378 INFO [main.py:798]
{rank 0/64} MD step = 428300 step time: 00:00:00.327353 Performance: 33.171 ns/day 0.724 hours/ns 1.920 steps/s 2024-05-19 08:56:29,990 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 88.891 -19398 9742.6 -29141 -29141 5.0308 2.4564 -2.0703 8.5765e+05 2024-05-19 08:57:03,847 INFO [main.py:798]
{rank 0/64} MD step = 428400 step time: 00:00:00.325997 Performance: 33.173 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-19 08:57:09,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428400 85680 88.215 -19695 9668.4 -29364 -29364 5.03 2.4575 -2.0713 8.5781e+05 2024-05-19 08:57:42,846 INFO [main.py:798]
{rank 0/64} MD step = 428500 step time: 00:00:00.326240 Performance: 33.175 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-19 08:57:45,661 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 92.643 -19227 10154 -29380 -29380 5.0322 2.4587 -2.0737 8.5802e+05 2024-05-19 08:58:20,318 INFO [main.py:798]
{rank 0/64} MD step = 428600 step time: 00:00:00.327162 Performance: 33.178 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-19 08:58:25,183 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 89.697 -19491 9830.9 -29322 -29322 5.0318 2.4617 -2.073 8.5826e+05 2024-05-19 08:58:57,780 INFO [main.py:798]
{rank 0/64} MD step = 428700 step time: 00:00:00.327147 Performance: 33.180 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-19 08:59:03,793 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 88.661 -19548 9717.4 -29266 -29266 5.0316 2.4638 -2.0734 8.5845e+05 2024-05-19 08:59:36,368 INFO [main.py:798]
{rank 0/64} MD step = 428800 step time: 00:00:00.325164 Performance: 33.182 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-19 08:59:42,138 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 89.969 -19270 9860.7 -29131 -29131 5.0295 2.4676 -2.0755 8.5868e+05 2024-05-19 09:00:14,516 INFO [main.py:798]
{rank 0/64} MD step = 428900 step time: 00:00:00.324857 Performance: 33.184 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-19 09:00:23,544 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 89.865 -19398 9849.3 -29247 -29247 5.0285 2.4707 -2.0769 8.589e+05 2024-05-19 09:00:56,028 INFO [main.py:798]
{rank 0/64} MD step = 429000 step time: 00:00:00.326863 Performance: 33.185 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-19 09:01:02,616 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 89.89 -19512 9852.1 -29364 -29364 5.0277 2.474 -2.0762 8.591e+05 2024-05-19 09:01:35,252 INFO [main.py:798]
{rank 0/64} MD step = 429100 step time: 00:00:00.325976 Performance: 33.187 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:01:41,732 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 91.449 -19140 10023 -29163 -29163 5.0258 2.479 -2.0773 8.5931e+05 2024-05-19 09:02:14,284 INFO [main.py:798]
{rank 0/64} MD step = 429200 step time: 00:00:00.326639 Performance: 33.189 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:02:18,580 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 90.594 -19321 9929.2 -29250 -29250 5.024 2.4829 -2.0775 8.5952e+05 2024-05-19 09:02:52,375 INFO [main.py:798]
{rank 0/64} MD step = 429300 step time: 00:00:00.327122 Performance: 33.191 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:02:58,056 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 89.698 -19486 9831 -29317 -29317 5.0209 2.4861 -2.0788 8.5973e+05 2024-05-19 09:03:30,863 INFO [main.py:798]
{rank 0/64} MD step = 429400 step time: 00:00:00.325691 Performance: 33.193 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:03:38,312 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 90.143 -19339 9879.8 -29219 -29219 5.0185 2.4894 -2.0808 8.5988e+05 2024-05-19 09:04:10,746 INFO [main.py:798]
{rank 0/64} MD step = 429500 step time: 00:00:00.326443 Performance: 33.195 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:04:16,701 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 90.096 -19274 9874.7 -29148 -29148 5.017 2.4922 -2.0819 8.6008e+05 2024-05-19 09:04:49,025 INFO [main.py:798]
{rank 0/64} MD step = 429600 step time: 00:00:00.326828 Performance: 33.197 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:04:54,370 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 89.357 -19353 9793.6 -29146 -29146 5.0149 2.4946 -2.0828 8.6028e+05 2024-05-19 09:05:28,182 INFO [main.py:798]
{rank 0/64} MD step = 429700 step time: 00:00:00.326907 Performance: 33.199 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:05:36,038 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 89.69 -19347 9830.2 -29177 -29177 5.0129 2.4973 -2.0835 8.6044e+05 2024-05-19 09:06:08,463 INFO [main.py:798]
{rank 0/64} MD step = 429800 step time: 00:00:00.327410 Performance: 33.201 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:06:13,765 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 89.671 -19223 9828 -29051 -29051 5.0107 2.5027 -2.0852 8.6064e+05 2024-05-19 09:06:46,177 INFO [main.py:798]
{rank 0/64} MD step = 429900 step time: 00:00:00.325968 Performance: 33.203 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-19 09:06:51,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429900 85980 90.766 -19361 9948 -29309 -29309 5.0087 2.5087 -2.0879 8.6083e+05 2024-05-19 09:07:23,947 INFO [main.py:798]
{rank 0/64} MD step = 430000 step time: 00:00:00.326455 Performance: 33.205 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-19 09:07:29,814 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 88.926 -19590 9746.4 -29336 -29336 5.0079 2.5143 -2.089 8.6102e+05 2024-05-19 09:08:02,373 INFO [main.py:798]
{rank 0/64} MD step = 430100 step time: 00:00:00.326208 Performance: 33.207 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-19 09:08:06,211 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 91.437 -19154 10022 -29175 -29175 5.0076 2.5178 -2.0895 8.6125e+05 2024-05-19 09:08:40,110 INFO [main.py:798]
{rank 0/64} MD step = 430200 step time: 00:00:00.325499 Performance: 33.209 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-19 09:08:47,380 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 89.409 -19429 9799.4 -29229 -29229 5.0063 2.5221 -2.0894 8.6145e+05 2024-05-19 09:09:20,127 INFO [main.py:798]
{rank 0/64} MD step = 430300 step time: 00:00:00.326949 Performance: 33.211 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-19 09:09:26,631 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 89.869 -19427 9849.7 -29277 -29277 5.0043 2.5266 -2.0904 8.6163e+05 2024-05-19 09:09:59,258 INFO [main.py:798]
{rank 0/64} MD step = 430400 step time: 00:00:00.325785 Performance: 33.213 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-19 09:10:06,630 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 89.93 -19260 9856.4 -29117 -29117 5.0026 2.5322 -2.0914 8.6185e+05 2024-05-19 09:10:39,368 INFO [main.py:798]
{rank 0/64} MD step = 430500 step time: 00:00:00.325548 Performance: 33.215 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-19 09:10:45,476 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 89.967 -19320 9860.5 -29180 -29180 5.0013 2.5378 -2.0931 8.6207e+05 2024-05-19 09:11:17,852 INFO [main.py:798]
{rank 0/64} MD step = 430600 step time: 00:00:00.326522 Performance: 33.217 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-19 09:11:23,681 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 89.753 -19392 9837.1 -29230 -29230 5.0004 2.5411 -2.0941 8.6227e+05 2024-05-19 09:11:58,189 INFO [main.py:798]
{rank 0/64} MD step = 430700 step time: 00:00:00.325565 Performance: 33.218 ns/day 0.722 hours/ns 1.922 steps/s 2024-05-19 09:12:05,412 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 91.754 -19039 10056 -29095 -29095 4.999 2.5428 -2.0933 8.6249e+05 2024-05-19 09:12:37,824 INFO [main.py:798]
{rank 0/64} MD step = 430800 step time: 00:00:00.325355 Performance: 33.220 ns/day 0.722 hours/ns 1.922 steps/s 2024-05-19 09:12:42,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430800 86160 89.797 -19325 9841.8 -29167 -29167 4.9986 2.5474 -2.0944 8.627e+05 2024-05-19 09:13:15,847 INFO [main.py:798]
{rank 0/64} MD step = 430900 step time: 00:00:00.325379 Performance: 33.222 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-19 09:13:22,549 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 90.156 -19553 9881.2 -29434 -29434 4.9957 2.5487 -2.0954 8.6289e+05 2024-05-19 09:13:54,879 INFO [main.py:798]
{rank 0/64} MD step = 431000 step time: 00:00:00.325681 Performance: 33.224 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-19 09:14:00,250 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 90.222 -19229 9888.5 -29118 -29118 4.9943 2.5516 -2.0975 8.6314e+05 2024-05-19 09:14:32,580 INFO [main.py:798]
{rank 0/64} MD step = 431100 step time: 00:00:00.326729 Performance: 33.226 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-19 09:14:37,740 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 90.986 -19243 9972.2 -29215 -29215 4.9938 2.5537 -2.0988 8.6337e+05 2024-05-19 09:15:10,095 INFO [main.py:798]
{rank 0/64} MD step = 431200 step time: 00:00:00.325496 Performance: 33.228 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-19 09:15:16,473 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 89.292 -19181 9786.5 -28967 -28967 4.9921 2.558 -2.099 8.6362e+05 2024-05-19 09:15:48,942 INFO [main.py:798]
{rank 0/64} MD step = 431300 step time: 00:00:00.326445 Performance: 33.230 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-19 09:15:56,394 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 90.443 -19275 9912.6 -29188 -29188 4.9911 2.5612 -2.1004 8.6381e+05 2024-05-19 09:16:29,799 INFO [main.py:798]
{rank 0/64} MD step = 431400 step time: 00:00:00.326320 Performance: 33.232 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-19 09:16:34,842 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 90.707 -19051 9941.6 -28992 -28992 4.99 2.5656 -2.1008 8.6401e+05 2024-05-19 09:17:07,201 INFO [main.py:798]
{rank 0/64} MD step = 431500 step time: 00:00:00.326699 Performance: 33.234 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-19 09:17:11,453 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 88.034 -19512 9648.6 -29161 -29161 4.9894 2.5714 -2.1007 8.6419e+05 2024-05-19 09:17:45,614 INFO [main.py:798]
{rank 0/64} MD step = 431600 step time: 00:00:00.325864 Performance: 33.236 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-19 09:17:52,437 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 91.335 -19097 10010 -29108 -29108 4.9869 2.5746 -2.1016 8.6441e+05 2024-05-19 09:18:24,967 INFO [main.py:798]
{rank 0/64} MD step = 431700 step time: 00:00:00.325709 Performance: 33.238 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:18:31,599 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 89.656 -19334 9826.4 -29160 -29160 4.985 2.5781 -2.1018 8.6457e+05 2024-05-19 09:19:04,213 INFO [main.py:798]
{rank 0/64} MD step = 431800 step time: 00:00:00.326005 Performance: 33.240 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:19:09,363 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 88.543 -19308 9704.4 -29012 -29012 4.9844 2.5822 -2.103 8.648e+05 2024-05-19 09:19:41,916 INFO [main.py:798]
{rank 0/64} MD step = 431900 step time: 00:00:00.326128 Performance: 33.242 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:19:47,803 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 89.791 -19176 9841.2 -29017 -29017 4.9849 2.5861 -2.1037 8.65e+05 2024-05-19 09:20:20,402 INFO [main.py:798]
{rank 0/64} MD step = 432000 step time: 00:00:00.325746 Performance: 33.244 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:20:26,240 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 89.045 -19156 9759.5 -28916 -28916 4.9829 2.5918 -2.1029 8.652e+05 2024-05-19 09:20:58,655 INFO [main.py:798]
{rank 0/64} MD step = 432100 step time: 00:00:00.326001 Performance: 33.246 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:21:04,157 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 90.321 -19162 9899.3 -29061 -29061 4.9823 2.5933 -2.1034 8.6539e+05 2024-05-19 09:21:37,831 INFO [main.py:798]
{rank 0/64} MD step = 432200 step time: 00:00:00.325955 Performance: 33.248 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:21:43,092 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 90.104 -19149 9875.5 -29025 -29025 4.9807 2.5974 -2.1044 8.6561e+05 2024-05-19 09:22:15,461 INFO [main.py:798]
{rank 0/64} MD step = 432300 step time: 00:00:00.325784 Performance: 33.250 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:22:22,508 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 90.561 -19194 9925.6 -29119 -29119 4.9783 2.5994 -2.1036 8.658e+05 2024-05-19 09:22:54,846 INFO [main.py:798]
{rank 0/64} MD step = 432400 step time: 00:00:00.326550 Performance: 33.252 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:23:01,117 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 90.534 -19231 9922.6 -29153 -29153 4.9775 2.6013 -2.1018 8.6597e+05 2024-05-19 09:23:33,633 INFO [main.py:798]
{rank 0/64} MD step = 432500 step time: 00:00:00.325547 Performance: 33.254 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-19 09:23:39,700 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 90.317 -19055 9898.8 -28954 -28954 4.9767 2.6034 -2.1022 8.6622e+05 2024-05-19 09:24:12,070 INFO [main.py:798]
{rank 0/64} MD step = 432600 step time: 00:00:00.325584 Performance: 33.256 ns/day 0.722 hours/ns 1.925 steps/s 2024-05-19 09:24:17,276 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 90.198 -19228 9885.8 -29114 -29114 4.9768 2.6076 -2.1033 8.6637e+05 2024-05-19 09:24:49,622 INFO [main.py:798]
{rank 0/64} MD step = 432700 step time: 00:00:00.326983 Performance: 33.258 ns/day 0.722 hours/ns 1.925 steps/s 2024-05-19 09:24:55,079 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 88.743 -19454 9726.4 -29181 -29181 4.9766 2.6117 -2.1028 8.6658e+05 2024-05-19 09:25:27,861 INFO [main.py:798]
{rank 0/64} MD step = 432800 step time: 00:00:00.325500 Performance: 33.260 ns/day 0.722 hours/ns 1.925 steps/s 2024-05-19 09:25:33,439 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 90.543 -19166 9923.7 -29090 -29090 4.9775 2.6178 -2.1016 8.6682e+05 2024-05-19 09:26:05,912 INFO [main.py:798]
{rank 0/64} MD step = 432900 step time: 00:00:00.327002 Performance: 33.262 ns/day 0.722 hours/ns 1.925 steps/s 2024-05-19 09:26:11,736 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 88.768 -19221 9729 -28950 -28950 4.9776 2.6214 -2.1016 8.6702e+05 2024-05-19 09:26:44,115 INFO [main.py:798]
{rank 0/64} MD step = 433000 step time: 00:00:00.326820 Performance: 33.264 ns/day 0.721 hours/ns 1.925 steps/s 2024-05-19 09:26:49,580 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 89.877 -19243 9850.6 -29094 -29094 4.9764 2.6255 -2.1024 8.6714e+05 2024-05-19 09:27:22,110 INFO [main.py:798]
{rank 0/64} MD step = 433100 step time: 00:00:00.326294 Performance: 33.266 ns/day 0.721 hours/ns 1.925 steps/s 2024-05-19 09:27:27,019 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 89.396 -18961 9798 -28759 -28759 4.9742 2.6303 -2.1013 8.6736e+05 2024-05-19 09:27:59,730 INFO [main.py:798]
{rank 0/64} MD step = 433200 step time: 00:00:00.325652 Performance: 33.268 ns/day 0.721 hours/ns 1.925 steps/s 2024-05-19 09:28:04,956 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 90.943 -19005 9967.5 -28973 -28973 4.9739 2.6339 -2.1035 8.6755e+05 2024-05-19 09:28:38,854 INFO [main.py:798]
{rank 0/64} MD step = 433300 step time: 00:00:00.326215 Performance: 33.270 ns/day 0.721 hours/ns 1.925 steps/s 2024-05-19 09:28:42,790 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 91.482 -18885 10027 -28911 -28911 4.9731 2.6371 -2.1045 8.6775e+05 2024-05-19 09:29:16,368 INFO [main.py:798]
{rank 0/64} MD step = 433400 step time: 00:00:00.325802 Performance: 33.272 ns/day 0.721 hours/ns 1.925 steps/s 2024-05-19 09:29:21,960 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 90.529 -18987 9922.1 -28909 -28909 4.9746 2.6396 -2.1047 8.6793e+05 2024-05-19 09:29:54,465 INFO [main.py:798]
{rank 0/64} MD step = 433500 step time: 00:00:00.324983 Performance: 33.274 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-19 09:30:00,384 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 90.482 -18887 9916.9 -28804 -28804 4.9723 2.6435 -2.1046 8.6817e+05 2024-05-19 09:30:32,903 INFO [main.py:798]
{rank 0/64} MD step = 433600 step time: 00:00:00.326448 Performance: 33.276 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-19 09:30:37,034 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 90.811 -18683 9953 -28636 -28636 4.9699 2.6471 -2.1072 8.684e+05 2024-05-19 09:31:09,500 INFO [main.py:798]
{rank 0/64} MD step = 433700 step time: 00:00:00.325238 Performance: 33.279 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-19 09:31:14,836 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 89.718 -18882 9833.2 -28716 -28716 4.9681 2.6529 -2.1085 8.6858e+05 2024-05-19 09:31:48,450 INFO [main.py:798]
{rank 0/64} MD step = 433800 step time: 00:00:00.326296 Performance: 33.281 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-19 09:31:53,281 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 90.763 -18813 9947.8 -28761 -28761 4.9682 2.6561 -2.1087 8.6878e+05 2024-05-19 09:32:25,696 INFO [main.py:798]
{rank 0/64} MD step = 433900 step time: 00:00:00.328042 Performance: 33.283 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-19 09:32:31,998 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 90.386 -19084 9906.5 -28991 -28991 4.9687 2.6599 -2.1082 8.6899e+05 2024-05-19 09:33:04,443 INFO [main.py:798]
{rank 0/64} MD step = 434000 step time: 00:00:00.325837 Performance: 33.285 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-19 09:33:09,317 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 89.74 -18956 9835.7 -28792 -28792 4.9658 2.663 -2.1083 8.6919e+05 2024-05-19 09:33:42,868 INFO [main.py:798]
{rank 0/64} MD step = 434100 step time: 00:00:00.324665 Performance: 33.287 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-19 09:33:47,872 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 88.408 -19047 9689.6 -28736 -28736 4.9637 2.6682 -2.1098 8.6938e+05 2024-05-19 09:34:20,188 INFO [main.py:798]
{rank 0/64} MD step = 434200 step time: 00:00:00.326802 Performance: 33.289 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-19 09:34:25,484 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 89.58 -18962 9818.1 -28780 -28780 4.964 2.6727 -2.1095 8.6957e+05 2024-05-19 09:34:57,861 INFO [main.py:798]
{rank 0/64} MD step = 434300 step time: 00:00:00.325935 Performance: 33.291 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:35:03,993 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 89.093 -19166 9764.7 -28931 -28931 4.9622 2.6794 -2.1097 8.6973e+05 2024-05-19 09:35:37,207 INFO [main.py:798]
{rank 0/64} MD step = 434400 step time: 00:00:00.326854 Performance: 33.293 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:35:43,285 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 91.33 -18579 10010 -28589 -28589 4.9619 2.6823 -2.1101 8.6999e+05 2024-05-19 09:36:15,943 INFO [main.py:798]
{rank 0/64} MD step = 434500 step time: 00:00:00.327023 Performance: 33.295 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:36:22,763 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 89.007 -18806 9755.2 -28561 -28561 4.9621 2.684 -2.1111 8.7018e+05 2024-05-19 09:36:55,220 INFO [main.py:798]
{rank 0/64} MD step = 434600 step time: 00:00:00.326823 Performance: 33.297 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:37:02,563 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 89.374 -19078 9795.5 -28873 -28873 4.9618 2.6879 -2.1116 8.7036e+05 2024-05-19 09:37:35,105 INFO [main.py:798]
{rank 0/64} MD step = 434700 step time: 00:00:00.326078 Performance: 33.298 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:37:39,641 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 88.929 -18772 9746.7 -28519 -28519 4.9599 2.6929 -2.1116 8.7057e+05 2024-05-19 09:38:13,780 INFO [main.py:798]
{rank 0/64} MD step = 434800 step time: 00:00:00.326348 Performance: 33.300 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:38:20,302 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 89.744 -18714 9836 -28550 -28550 4.9605 2.6964 -2.1128 8.7078e+05 2024-05-19 09:38:52,863 INFO [main.py:798]
{rank 0/64} MD step = 434900 step time: 00:00:00.327447 Performance: 33.302 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:38:56,953 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 88.665 -18851 9717.8 -28568 -28568 4.959 2.6989 -2.1129 8.7102e+05 2024-05-19 09:39:29,740 INFO [main.py:798]
{rank 0/64} MD step = 435000 step time: 00:00:00.326311 Performance: 33.305 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:39:38,213 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 89.587 -18765 9818.9 -28584 -28584 4.9577 2.7016 -2.1147 8.7127e+05 2024-05-19 09:40:10,644 INFO [main.py:798]
{rank 0/64} MD step = 435100 step time: 00:00:00.328652 Performance: 33.306 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-19 09:40:16,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435100 87020 89.664 -18865 9827.3 -28692 -28692 4.9574 2.7058 -2.114 8.7147e+05 2024-05-19 09:40:49,272 INFO [main.py:798]
{rank 0/64} MD step = 435200 step time: 00:00:00.325663 Performance: 33.308 ns/day 0.721 hours/ns 1.928 steps/s 2024-05-19 09:40:52,466 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 89.088 -18992 9764.2 -28756 -28756 4.9563 2.7092 -2.1135 8.7164e+05 2024-05-19 09:41:24,943 INFO [main.py:798]
{rank 0/64} MD step = 435300 step time: 00:00:00.326278 Performance: 33.310 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-19 09:41:30,948 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 89.694 -19181 9830.6 -29011 -29011 4.9563 2.7135 -2.1154 8.7179e+05 2024-05-19 09:42:03,373 INFO [main.py:798]
{rank 0/64} MD step = 435400 step time: 00:00:00.326780 Performance: 33.312 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-19 09:42:08,803 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 89.774 -19120 9839.4 -28960 -28960 4.9542 2.7172 -2.1163 8.72e+05 2024-05-19 09:42:41,164 INFO [main.py:798]
{rank 0/64} MD step = 435500 step time: 00:00:00.325708 Performance: 33.315 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-19 09:42:50,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435500 87100 90.491 -18911 9918 -28829 -28829 4.9537 2.7218 -2.1177 8.7221e+05 2024-05-19 09:43:22,752 INFO [main.py:798]
{rank 0/64} MD step = 435600 step time: 00:00:00.326044 Performance: 33.316 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-19 09:43:29,433 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 90.539 -18901 9923.2 -28824 -28824 4.95 2.7237 -2.1184 8.7242e+05 2024-05-19 09:44:02,100 INFO [main.py:798]
{rank 0/64} MD step = 435700 step time: 00:00:00.326655 Performance: 33.318 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-19 09:44:10,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435700 87140 90.528 -18899 9921.9 -28821 -28821 4.9476 2.7295 -2.1199 8.7261e+05 2024-05-19 09:44:43,173 INFO [main.py:798]
{rank 0/64} MD step = 435800 step time: 00:00:00.325563 Performance: 33.319 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-19 09:44:48,170 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 89.51 -19118 9810.4 -28929 -28929 4.9451 2.7355 -2.1196 8.728e+05 2024-05-19 09:45:23,472 INFO [main.py:798]
{rank 0/64} MD step = 435900 step time: 00:00:00.326394 Performance: 33.321 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-19 09:45:29,592 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 92.146 -18797 10099 -28897 -28897 4.9437 2.7403 -2.1209 8.7299e+05 2024-05-19 09:46:01,995 INFO [main.py:798]
{rank 0/64} MD step = 436000 step time: 00:00:00.325786 Performance: 33.323 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-19 09:46:06,937 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 91.044 -18948 9978.5 -28926 -28926 4.9421 2.7433 -2.121 8.7325e+05 2024-05-19 09:46:39,513 INFO [main.py:798]
{rank 0/64} MD step = 436100 step time: 00:00:00.325969 Performance: 33.325 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:46:45,986 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 89.876 -18830 9850.5 -28680 -28680 4.9421 2.7472 -2.1207 8.7344e+05 2024-05-19 09:47:19,999 INFO [main.py:798]
{rank 0/64} MD step = 436200 step time: 00:00:00.326088 Performance: 33.327 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:47:25,711 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 90.921 -18857 9965.1 -28822 -28822 4.9411 2.7499 -2.1198 8.7362e+05 2024-05-19 09:47:58,168 INFO [main.py:798]
{rank 0/64} MD step = 436300 step time: 00:00:00.326769 Performance: 33.329 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:48:02,146 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 90.091 -18786 9874 -28660 -28660 4.9386 2.753 -2.1199 8.7384e+05 2024-05-19 09:48:36,107 INFO [main.py:798]
{rank 0/64} MD step = 436400 step time: 00:00:00.326189 Performance: 33.331 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:48:41,728 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 88.763 -19223 9728.6 -28952 -28952 4.9365 2.7551 -2.1217 8.7402e+05 2024-05-19 09:49:14,487 INFO [main.py:798]
{rank 0/64} MD step = 436500 step time: 00:00:00.326682 Performance: 33.333 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:49:22,428 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 91.852 -18973 10067 -29040 -29040 4.9335 2.7569 -2.1229 8.7422e+05 2024-05-19 09:49:55,018 INFO [main.py:798]
{rank 0/64} MD step = 436600 step time: 00:00:00.325996 Performance: 33.335 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:50:00,102 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 90.538 -18858 9923.1 -28781 -28781 4.9281 2.7605 -2.1233 8.7446e+05 2024-05-19 09:50:33,062 INFO [main.py:798]
{rank 0/64} MD step = 436700 step time: 00:00:00.360176 Performance: 33.337 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:50:39,063 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 90.636 -19025 9933.8 -28959 -28959 4.9263 2.7642 -2.1233 8.7465e+05 2024-05-19 09:51:11,742 INFO [main.py:798]
{rank 0/64} MD step = 436800 step time: 00:00:00.325976 Performance: 33.339 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:51:17,061 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 89.822 -19278 9844.6 -29123 -29123 4.9263 2.7685 -2.1246 8.7484e+05 2024-05-19 09:51:49,957 INFO [main.py:798]
{rank 0/64} MD step = 436900 step time: 00:00:00.326372 Performance: 33.341 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-19 09:51:57,018 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 88.984 -19138 9752.7 -28891 -28891 4.9237 2.7731 -2.1251 8.7507e+05 2024-05-19 09:52:29,595 INFO [main.py:798]
{rank 0/64} MD step = 437000 step time: 00:00:00.327739 Performance: 33.342 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-19 09:52:37,747 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 88.8 -18985 9732.5 -28718 -28718 4.9224 2.7758 -2.1264 8.7526e+05 2024-05-19 09:53:10,138 INFO [main.py:798]
{rank 0/64} MD step = 437100 step time: 00:00:00.325868 Performance: 33.344 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-19 09:53:17,180 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 90.117 -19043 9876.9 -28920 -28920 4.9222 2.7775 -2.1263 8.7545e+05 2024-05-19 09:53:49,798 INFO [main.py:798]
{rank 0/64} MD step = 437200 step time: 00:00:00.327743 Performance: 33.346 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-19 09:53:58,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437200 87440 90.67 -19110 9937.6 -29048 -29048 4.921 2.7793 -2.1266 8.7565e+05 2024-05-19 09:54:31,067 INFO [main.py:798]
{rank 0/64} MD step = 437300 step time: 00:00:00.326797 Performance: 33.347 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-19 09:54:39,411 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 89.333 -18874 9791 -28665 -28665 4.9222 2.7833 -2.126 8.7587e+05 2024-05-19 09:55:11,818 INFO [main.py:798]
{rank 0/64} MD step = 437400 step time: 00:00:00.326345 Performance: 33.349 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-19 09:55:16,954 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 89.166 -19041 9772.7 -28814 -28814 4.9217 2.7879 -2.1255 8.7606e+05 2024-05-19 09:55:49,609 INFO [main.py:798]
{rank 0/64} MD step = 437500 step time: 00:00:00.326138 Performance: 33.351 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-19 09:55:56,843 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 90.42 -19017 9910.1 -28927 -28927 4.9199 2.7921 -2.1233 8.7625e+05 2024-05-19 09:56:29,224 INFO [main.py:798]
{rank 0/64} MD step = 437600 step time: 00:00:00.325746 Performance: 33.353 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-19 09:56:34,513 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 91.275 -18957 10004 -28960 -28960 4.9209 2.7959 -2.1232 8.7647e+05 2024-05-19 09:57:07,071 INFO [main.py:798]
{rank 0/64} MD step = 437700 step time: 00:00:00.327628 Performance: 33.355 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-19 09:57:13,831 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 90.724 -19158 9943.5 -29101 -29101 4.9188 2.7978 -2.1236 8.7662e+05 2024-05-19 09:57:46,474 INFO [main.py:798]
{rank 0/64} MD step = 437800 step time: 00:00:00.327176 Performance: 33.357 ns/day 0.719 hours/ns 1.930 steps/s 2024-05-19 09:57:52,808 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 89.016 -19191 9756.3 -28947 -28947 4.9197 2.8015 -2.1234 8.7688e+05 2024-05-19 09:58:25,544 INFO [main.py:798]
{rank 0/64} MD step = 437900 step time: 00:00:00.326581 Performance: 33.359 ns/day 0.719 hours/ns 1.930 steps/s 2024-05-19 09:58:32,560 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 88.308 -19522 9678.7 -29201 -29201 4.9178 2.8054 -2.123 8.7703e+05 2024-05-19 09:59:06,197 INFO [main.py:798]
{rank 0/64} MD step = 438000 step time: 00:00:00.326355 Performance: 33.360 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 09:59:11,805 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 89.959 -19135 9859.7 -28995 -28995 4.9164 2.8069 -2.1244 8.7726e+05 2024-05-19 09:59:44,314 INFO [main.py:798]
{rank 0/64} MD step = 438100 step time: 00:00:00.326557 Performance: 33.362 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 09:59:48,287 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 89.624 -19056 9822.9 -28879 -28879 4.9157 2.8106 -2.1244 8.7748e+05 2024-05-19 10:00:22,159 INFO [main.py:798]
{rank 0/64} MD step = 438200 step time: 00:00:00.326162 Performance: 33.364 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 10:00:28,887 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 89.878 -19100 9850.7 -28950 -28950 4.9157 2.8136 -2.1246 8.7765e+05 2024-05-19 10:01:01,595 INFO [main.py:798]
{rank 0/64} MD step = 438300 step time: 00:00:00.325085 Performance: 33.366 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 10:01:06,568 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 90.151 -19059 9880.7 -28940 -28940 4.9143 2.8167 -2.1244 8.7787e+05 2024-05-19 10:01:39,104 INFO [main.py:798]
{rank 0/64} MD step = 438400 step time: 00:00:00.326399 Performance: 33.368 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 10:01:47,048 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 89.603 -19167 9820.6 -28987 -28987 4.9128 2.8215 -2.1255 8.7806e+05 2024-05-19 10:02:19,725 INFO [main.py:798]
{rank 0/64} MD step = 438500 step time: 00:00:00.324930 Performance: 33.370 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 10:02:28,150 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 90.304 -19111 9897.5 -29009 -29009 4.9104 2.8242 -2.1256 8.7823e+05 2024-05-19 10:03:00,543 INFO [main.py:798]
{rank 0/64} MD step = 438600 step time: 00:00:00.325990 Performance: 33.372 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 10:03:09,990 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 89.987 -19374 9862.6 -29237 -29237 4.9074 2.8273 -2.1273 8.784e+05 2024-05-19 10:03:42,332 INFO [main.py:798]
{rank 0/64} MD step = 438700 step time: 00:00:00.327408 Performance: 33.373 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 10:03:47,848 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 90.949 -19275 9968.1 -29243 -29243 4.906 2.8296 -2.128 8.7862e+05 2024-05-19 10:04:20,278 INFO [main.py:798]
{rank 0/64} MD step = 438800 step time: 00:00:00.325669 Performance: 33.375 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-19 10:04:24,893 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 90.155 -19504 9881.1 -29385 -29385 4.904 2.8314 -2.1306 8.7878e+05 2024-05-19 10:04:57,606 INFO [main.py:798]
{rank 0/64} MD step = 438900 step time: 00:00:00.326618 Performance: 33.377 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:05:04,069 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 90.03 -19619 9867.4 -29486 -29486 4.9016 2.8322 -2.1299 8.7904e+05 2024-05-19 10:05:36,869 INFO [main.py:798]
{rank 0/64} MD step = 439000 step time: 00:00:00.338749 Performance: 33.379 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:05:41,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439000 87800 89.188 -19624 9775.2 -29400 -29400 4.9007 2.8362 -2.1293 8.7921e+05 2024-05-19 10:06:14,502 INFO [main.py:798]
{rank 0/64} MD step = 439100 step time: 00:00:00.326122 Performance: 33.381 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:06:21,674 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 90.899 -19406 9962.6 -29368 -29368 4.8968 2.8386 -2.1285 8.7944e+05 2024-05-19 10:06:54,066 INFO [main.py:798]
{rank 0/64} MD step = 439200 step time: 00:00:00.325608 Performance: 33.383 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:06:59,905 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 90.182 -19510 9884 -29394 -29394 4.8952 2.8412 -2.1281 8.7961e+05 2024-05-19 10:07:32,481 INFO [main.py:798]
{rank 0/64} MD step = 439300 step time: 00:00:00.325676 Performance: 33.385 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:07:37,913 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 90.134 -19644 9878.7 -29523 -29523 4.8939 2.8429 -2.1285 8.7979e+05 2024-05-19 10:08:10,378 INFO [main.py:798]
{rank 0/64} MD step = 439400 step time: 00:00:00.327172 Performance: 33.387 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:08:15,746 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 90.069 -19524 9871.7 -29396 -29396 4.8918 2.8443 -2.1293 8.8003e+05 2024-05-19 10:08:48,278 INFO [main.py:798]
{rank 0/64} MD step = 439500 step time: 00:00:00.326082 Performance: 33.389 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:08:53,306 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 90.831 -19527 9955.2 -29483 -29483 4.8899 2.8479 -2.131 8.8023e+05 2024-05-19 10:09:27,226 INFO [main.py:798]
{rank 0/64} MD step = 439600 step time: 00:00:00.325487 Performance: 33.391 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:09:33,146 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 88.892 -19710 9742.6 -29453 -29453 4.8881 2.8523 -2.1327 8.8044e+05 2024-05-19 10:10:05,660 INFO [main.py:798]
{rank 0/64} MD step = 439700 step time: 00:00:00.326934 Performance: 33.393 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-19 10:10:12,619 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 90.987 -19304 9972.3 -29276 -29276 4.8888 2.8546 -2.1344 8.8067e+05 2024-05-19 10:10:45,145 INFO [main.py:798]
{rank 0/64} MD step = 439800 step time: 00:00:00.326188 Performance: 33.395 ns/day 0.719 hours/ns 1.933 steps/s 2024-05-19 10:10:50,846 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 90.729 -19286 9944 -29230 -29230 4.8881 2.8571 -2.1337 8.8084e+05 2024-05-19 10:11:23,410 INFO [main.py:798]
{rank 0/64} MD step = 439900 step time: 00:00:00.326148 Performance: 33.396 ns/day 0.719 hours/ns 1.933 steps/s 2024-05-19 10:11:29,887 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 91.634 -19201 10043 -29245 -29245 4.8882 2.8609 -2.1338 8.8105e+05 2024-05-19 10:12:02,966 INFO [main.py:798]
{rank 0/64} MD step = 440000 step time: 00:00:00.324680 Performance: 33.398 ns/day 0.719 hours/ns 1.933 steps/s 2024-05-19 10:12:07,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440000 88000 90.679 -19428 9938.5 -29366 -29366 4.889 2.8632 -2.134 8.8122e+05 2024-05-19 10:12:39,968 INFO [main.py:798]
{rank 0/64} MD step = 440100 step time: 00:00:00.326252 Performance: 33.400 ns/day 0.719 hours/ns 1.933 steps/s 2024-05-19 10:12:46,608 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 89.797 -19444 9841.8 -29286 -29286 4.8877 2.8665 -2.1339 8.8146e+05 2024-05-19 10:13:19,015 INFO [main.py:798]
{rank 0/64} MD step = 440200 step time: 00:00:00.326359 Performance: 33.402 ns/day 0.719 hours/ns 1.933 steps/s 2024-05-19 10:13:24,404 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 90.421 -19274 9910.2 -29184 -29184 4.8869 2.869 -2.1339 8.8165e+05 2024-05-19 10:13:56,823 INFO [main.py:798]
{rank 0/64} MD step = 440300 step time: 00:00:00.335544 Performance: 33.404 ns/day 0.718 hours/ns 1.933 steps/s 2024-05-19 10:14:02,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440300 88060 90.957 -19126 9969 -29095 -29095 4.8827 2.8741 -2.134 8.8187e+05 2024-05-19 10:14:34,885 INFO [main.py:798]
{rank 0/64} MD step = 440400 step time: 00:00:00.325696 Performance: 33.406 ns/day 0.718 hours/ns 1.933 steps/s 2024-05-19 10:14:39,775 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 90.888 -19293 9961.4 -29254 -29254 4.881 2.8767 -2.134 8.8201e+05 2024-05-19 10:15:12,121 INFO [main.py:798]
{rank 0/64} MD step = 440500 step time: 00:00:00.326335 Performance: 33.408 ns/day 0.718 hours/ns 1.933 steps/s 2024-05-19 10:15:17,594 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 89.42 -19553 9800.5 -29354 -29354 4.879 2.88 -2.1331 8.8221e+05 2024-05-19 10:15:50,019 INFO [main.py:798]
{rank 0/64} MD step = 440600 step time: 00:00:00.326027 Performance: 33.411 ns/day 0.718 hours/ns 1.933 steps/s 2024-05-19 10:15:55,509 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 89.654 -19444 9826.2 -29270 -29270 4.8764 2.884 -2.1316 8.8245e+05 2024-05-19 10:16:27,938 INFO [main.py:798]
{rank 0/64} MD step = 440700 step time: 00:00:00.326110 Performance: 33.413 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-19 10:16:34,618 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 90.84 -19480 9956.1 -29437 -29437 4.8749 2.8869 -2.1317 8.8266e+05 2024-05-19 10:17:06,972 INFO [main.py:798]
{rank 0/64} MD step = 440800 step time: 00:00:00.336744 Performance: 33.414 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-19 10:17:12,289 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 90.347 -19496 9902.1 -29398 -29398 4.872 2.888 -2.1319 8.8289e+05 2024-05-19 10:17:44,738 INFO [main.py:798]
{rank 0/64} MD step = 440900 step time: 00:00:00.326083 Performance: 33.416 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-19 10:17:49,814 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 88.645 -19789 9715.6 -29505 -29505 4.8709 2.8906 -2.1326 8.8306e+05 2024-05-19 10:18:22,738 INFO [main.py:798]
{rank 0/64} MD step = 441000 step time: 00:00:00.326310 Performance: 33.418 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-19 10:18:27,641 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 89.622 -19546 9822.7 -29369 -29369 4.8682 2.8936 -2.1316 8.8331e+05 2024-05-19 10:19:00,026 INFO [main.py:798]
{rank 0/64} MD step = 441100 step time: 00:00:00.327467 Performance: 33.421 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-19 10:19:06,097 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 90.973 -19430 9970.7 -29400 -29400 4.8676 2.8959 -2.133 8.8352e+05 2024-05-19 10:19:38,691 INFO [main.py:798]
{rank 0/64} MD step = 441200 step time: 00:00:00.326327 Performance: 33.422 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-19 10:19:43,580 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 90.502 -19246 9919.2 -29165 -29165 4.8668 2.8986 -2.1319 8.8375e+05 2024-05-19 10:20:15,975 INFO [main.py:798]
{rank 0/64} MD step = 441300 step time: 00:00:00.326986 Performance: 33.425 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-19 10:20:20,690 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 90.83 -19236 9955.1 -29191 -29191 4.8651 2.9045 -2.1311 8.8398e+05 2024-05-19 10:20:53,276 INFO [main.py:798]
{rank 0/64} MD step = 441400 step time: 00:00:00.327198 Performance: 33.427 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-19 10:20:59,256 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 89.464 -19380 9805.3 -29186 -29186 4.8636 2.9069 -2.1303 8.8415e+05 2024-05-19 10:21:31,774 INFO [main.py:798]
{rank 0/64} MD step = 441500 step time: 00:00:00.327877 Performance: 33.429 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:21:37,336 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 89.991 -19433 9863.1 -29296 -29296 4.8618 2.9102 -2.1297 8.8432e+05 2024-05-19 10:22:09,915 INFO [main.py:798]
{rank 0/64} MD step = 441600 step time: 00:00:00.327401 Performance: 33.431 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:22:15,750 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 90.736 -19304 9944.7 -29249 -29249 4.8619 2.9122 -2.1318 8.8452e+05 2024-05-19 10:22:48,187 INFO [main.py:798]
{rank 0/64} MD step = 441700 step time: 00:00:00.328043 Performance: 33.433 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:22:54,532 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 89.778 -19439 9839.8 -29279 -29279 4.8583 2.9142 -2.1315 8.8476e+05 2024-05-19 10:23:26,943 INFO [main.py:798]
{rank 0/64} MD step = 441800 step time: 00:00:00.337672 Performance: 33.434 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:23:33,981 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 91.166 -19053 9991.9 -29045 -29045 4.856 2.918 -2.131 8.85e+05 2024-05-19 10:24:06,355 INFO [main.py:798]
{rank 0/64} MD step = 441900 step time: 00:00:00.327709 Performance: 33.436 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:24:12,120 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 89.517 -19274 9811.2 -29085 -29085 4.8545 2.9212 -2.1313 8.8521e+05 2024-05-19 10:24:44,517 INFO [main.py:798]
{rank 0/64} MD step = 442000 step time: 00:00:00.326148 Performance: 33.438 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:24:49,716 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 90.781 -19410 9949.7 -29360 -29360 4.8522 2.9248 -2.1318 8.8538e+05 2024-05-19 10:25:22,314 INFO [main.py:798]
{rank 0/64} MD step = 442100 step time: 00:00:00.326404 Performance: 33.440 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:25:29,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442100 88420 89.347 -19556 9792.6 -29348 -29348 4.8487 2.9284 -2.1319 8.8555e+05 2024-05-19 10:26:01,713 INFO [main.py:798]
{rank 0/64} MD step = 442200 step time: 00:00:00.325303 Performance: 33.442 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:26:06,428 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 88.449 -19685 9694.1 -29379 -29379 4.8469 2.9323 -2.1316 8.8576e+05 2024-05-19 10:26:39,006 INFO [main.py:798]
{rank 0/64} MD step = 442300 step time: 00:00:00.327092 Performance: 33.444 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-19 10:26:43,457 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 88.815 -19538 9734.2 -29272 -29272 4.8461 2.9346 -2.129 8.8593e+05 2024-05-19 10:27:16,932 INFO [main.py:798]
{rank 0/64} MD step = 442400 step time: 00:00:00.334701 Performance: 33.446 ns/day 0.718 hours/ns 1.936 steps/s 2024-05-19 10:27:22,437 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 90 -19386 9864.1 -29250 -29250 4.8455 2.9384 -2.1268 8.8617e+05 2024-05-19 10:27:54,908 INFO [main.py:798]
{rank 0/64} MD step = 442500 step time: 00:00:00.326020 Performance: 33.448 ns/day 0.718 hours/ns 1.936 steps/s 2024-05-19 10:28:00,097 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 89.144 -19308 9770.3 -29078 -29078 4.8445 2.943 -2.1253 8.8633e+05 2024-05-19 10:28:32,895 INFO [main.py:798]
{rank 0/64} MD step = 442600 step time: 00:00:00.325949 Performance: 33.450 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-19 10:28:38,048 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 90.531 -19500 9922.4 -29422 -29422 4.8425 2.9456 -2.125 8.865e+05 2024-05-19 10:29:10,792 INFO [main.py:798]
{rank 0/64} MD step = 442700 step time: 00:00:00.325693 Performance: 33.452 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-19 10:29:15,757 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 87.993 -19627 9644.1 -29271 -29271 4.8414 2.95 -2.1264 8.8676e+05 2024-05-19 10:29:50,438 INFO [main.py:798]
{rank 0/64} MD step = 442800 step time: 00:00:00.326078 Performance: 33.454 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-19 10:29:55,909 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 90.193 -19614 9885.3 -29499 -29499 4.8399 2.954 -2.1263 8.8699e+05 2024-05-19 10:30:29,165 INFO [main.py:798]
{rank 0/64} MD step = 442900 step time: 00:00:00.325983 Performance: 33.456 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-19 10:30:34,485 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 91.576 -19352 10037 -29389 -29389 4.8385 2.9585 -2.1257 8.8717e+05 2024-05-19 10:31:07,281 INFO [main.py:798]
{rank 0/64} MD step = 443000 step time: 00:00:00.325807 Performance: 33.458 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-19 10:31:15,039 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 89.936 -19491 9857.1 -29348 -29348 4.8379 2.9614 -2.1257 8.8736e+05 2024-05-19 10:31:47,817 INFO [main.py:798]
{rank 0/64} MD step = 443100 step time: 00:00:00.325659 Performance: 33.459 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-19 10:31:53,286 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 89.693 -19336 9830.5 -29167 -29167 4.8368 2.9628 -2.1271 8.8758e+05 2024-05-19 10:32:25,882 INFO [main.py:798]
{rank 0/64} MD step = 443200 step time: 00:00:00.326186 Performance: 33.461 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-19 10:32:30,208 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 89.571 -19650 9817.1 -29467 -29467 4.836 2.9678 -2.1281 8.8772e+05 2024-05-19 10:33:02,804 INFO [main.py:798]
{rank 0/64} MD step = 443300 step time: 00:00:00.330984 Performance: 33.464 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:33:08,151 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 90.068 -19264 9871.6 -29136 -29136 4.8353 2.9705 -2.1272 8.8796e+05 2024-05-19 10:33:42,013 INFO [main.py:798]
{rank 0/64} MD step = 443400 step time: 00:00:00.326598 Performance: 33.465 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:33:47,519 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 90.839 -19389 9956.1 -29345 -29345 4.8338 2.9732 -2.1277 8.8816e+05 2024-05-19 10:34:19,891 INFO [main.py:798]
{rank 0/64} MD step = 443500 step time: 00:00:00.326087 Performance: 33.467 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:34:25,923 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 89.975 -19351 9861.4 -29212 -29212 4.8328 2.9766 -2.1288 8.8836e+05 2024-05-19 10:34:58,331 INFO [main.py:798]
{rank 0/64} MD step = 443600 step time: 00:00:00.326841 Performance: 33.469 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:35:04,407 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 89.372 -19474 9795.3 -29270 -29270 4.8327 2.9811 -2.1287 8.8859e+05 2024-05-19 10:35:37,257 INFO [main.py:798]
{rank 0/64} MD step = 443700 step time: 00:00:00.326572 Performance: 33.471 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:35:43,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443700 88740 89.907 -19371 9853.9 -29225 -29225 4.8334 2.9835 -2.1298 8.8877e+05 2024-05-19 10:36:16,219 INFO [main.py:798]
{rank 0/64} MD step = 443800 step time: 00:00:00.326520 Performance: 33.473 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:36:23,579 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 90.583 -19304 9928 -29232 -29232 4.833 2.9862 -2.1314 8.89e+05 2024-05-19 10:36:55,981 INFO [main.py:798]
{rank 0/64} MD step = 443900 step time: 00:00:00.325203 Performance: 33.475 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:37:01,809 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 89.148 -19507 9770.8 -29277 -29277 4.8329 2.9898 -2.1324 8.8919e+05 2024-05-19 10:37:34,519 INFO [main.py:798]
{rank 0/64} MD step = 444000 step time: 00:00:00.324827 Performance: 33.477 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:37:40,140 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 89.491 -19581 9808.3 -29389 -29389 4.834 2.9943 -2.1331 8.8934e+05 2024-05-19 10:38:12,597 INFO [main.py:798]
{rank 0/64} MD step = 444100 step time: 00:00:00.325796 Performance: 33.479 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-19 10:38:19,338 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 91.062 -19167 9980.5 -29148 -29148 4.8338 2.9977 -2.1355 8.8955e+05 2024-05-19 10:38:51,811 INFO [main.py:798]
{rank 0/64} MD step = 444200 step time: 00:00:00.325704 Performance: 33.480 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-19 10:38:57,486 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 89.911 -19427 9854.3 -29281 -29281 4.8328 3.0007 -2.1382 8.8978e+05 2024-05-19 10:39:30,779 INFO [main.py:798]
{rank 0/64} MD step = 444300 step time: 00:00:00.325770 Performance: 33.482 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-19 10:39:36,213 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 90.561 -19328 9925.6 -29254 -29254 4.8332 3.0058 -2.1385 8.8999e+05 2024-05-19 10:40:08,926 INFO [main.py:798]
{rank 0/64} MD step = 444400 step time: 00:00:00.328651 Performance: 33.484 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-19 10:40:14,463 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 89.605 -19176 9820.8 -28997 -28997 4.8337 3.0113 -2.1409 8.9021e+05 2024-05-19 10:40:47,095 INFO [main.py:798]
{rank 0/64} MD step = 444500 step time: 00:00:00.326913 Performance: 33.486 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-19 10:40:49,207 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 90.569 -19180 9926.5 -29107 -29107 4.8327 3.0158 -2.142 8.9041e+05 2024-05-19 10:41:22,515 INFO [main.py:798]
{rank 0/64} MD step = 444600 step time: 00:00:00.326234 Performance: 33.489 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-19 10:41:27,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444600 88920 88.991 -19274 9753.5 -29028 -29028 4.8339 3.0183 -2.1406 8.9067e+05 2024-05-19 10:42:00,584 INFO [main.py:798]
{rank 0/64} MD step = 444700 step time: 00:00:00.325480 Performance: 33.491 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-19 10:42:06,323 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 90.33 -19385 9900.3 -29285 -29285 4.8348 3.0207 -2.1401 8.908e+05 2024-05-19 10:42:38,779 INFO [main.py:798]
{rank 0/64} MD step = 444800 step time: 00:00:00.363482 Performance: 33.493 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-19 10:42:44,699 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 89.771 -19338 9839.1 -29177 -29177 4.8333 3.0234 -2.1408 8.9102e+05 2024-05-19 10:43:17,185 INFO [main.py:798]
{rank 0/64} MD step = 444900 step time: 00:00:00.325981 Performance: 33.494 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-19 10:43:23,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444900 88980 89.443 -19559 9803 -29362 -29362 4.8325 3.0262 -2.1402 8.9121e+05 2024-05-19 10:43:56,214 INFO [main.py:798]
{rank 0/64} MD step = 445000 step time: 00:00:00.327088 Performance: 33.496 ns/day 0.716 hours/ns 1.938 steps/s 2024-05-19 10:44:01,967 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 89.865 -19401 9849.3 -29250 -29250 4.8332 3.0302 -2.1411 8.9143e+05 2024-05-19 10:44:34,637 INFO [main.py:798]
{rank 0/64} MD step = 445100 step time: 00:00:00.326011 Performance: 33.498 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:44:41,672 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 90.137 -19358 9879.2 -29237 -29237 4.8327 3.0339 -2.1418 8.9164e+05 2024-05-19 10:45:14,043 INFO [main.py:798]
{rank 0/64} MD step = 445200 step time: 00:00:00.326681 Performance: 33.500 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:45:19,532 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 90.778 -19284 9949.4 -29234 -29234 4.8338 3.038 -2.1426 8.9185e+05 2024-05-19 10:45:52,131 INFO [main.py:798]
{rank 0/64} MD step = 445300 step time: 00:00:00.326063 Performance: 33.502 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:46:00,003 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 88.657 -19572 9716.9 -29289 -29289 4.8343 3.0407 -2.1437 8.9203e+05 2024-05-19 10:46:32,358 INFO [main.py:798]
{rank 0/64} MD step = 445400 step time: 00:00:00.326126 Performance: 33.504 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:46:36,812 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 90.21 -19329 9887.1 -29216 -29216 4.8346 3.0448 -2.1455 8.9225e+05 2024-05-19 10:47:09,208 INFO [main.py:798]
{rank 0/64} MD step = 445500 step time: 00:00:00.326207 Performance: 33.506 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:47:14,861 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 89.974 -19424 9861.3 -29285 -29285 4.8362 3.0481 -2.1465 8.9244e+05 2024-05-19 10:47:47,561 INFO [main.py:798]
{rank 0/64} MD step = 445600 step time: 00:00:00.325349 Performance: 33.508 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:47:54,053 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 89.643 -19296 9825 -29121 -29121 4.8354 3.0529 -2.1483 8.9271e+05 2024-05-19 10:48:26,682 INFO [main.py:798]
{rank 0/64} MD step = 445700 step time: 00:00:00.335081 Performance: 33.510 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:48:32,215 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 89.255 -19330 9782.4 -29112 -29112 4.8366 3.0567 -2.1494 8.9291e+05 2024-05-19 10:49:04,862 INFO [main.py:798]
{rank 0/64} MD step = 445800 step time: 00:00:00.326880 Performance: 33.511 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:49:10,479 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 90.848 -19276 9957.1 -29234 -29234 4.8355 3.0607 -2.1495 8.931e+05 2024-05-19 10:49:43,932 INFO [main.py:798]
{rank 0/64} MD step = 445900 step time: 00:00:00.326754 Performance: 33.513 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-19 10:49:49,007 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 89.725 -19301 9833.9 -29135 -29135 4.8364 3.0658 -2.1496 8.933e+05 2024-05-19 10:50:22,803 INFO [main.py:798]
{rank 0/64} MD step = 446000 step time: 00:00:00.327198 Performance: 33.515 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:50:28,107 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 89.359 -19394 9793.8 -29188 -29188 4.8369 3.0719 -2.1499 8.9347e+05 2024-05-19 10:51:00,765 INFO [main.py:798]
{rank 0/64} MD step = 446100 step time: 00:00:00.325116 Performance: 33.517 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:51:03,628 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 90.654 -19076 9935.8 -29012 -29012 4.8374 3.0781 -2.1503 8.9367e+05 2024-05-19 10:51:37,303 INFO [main.py:798]
{rank 0/64} MD step = 446200 step time: 00:00:00.325555 Performance: 33.519 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:51:44,208 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 90.79 -19130 9950.6 -29080 -29080 4.8377 3.0816 -2.1511 8.9386e+05 2024-05-19 10:52:16,773 INFO [main.py:798]
{rank 0/64} MD step = 446300 step time: 00:00:00.343849 Performance: 33.521 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:52:21,770 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 89.694 -19286 9830.5 -29116 -29116 4.8371 3.0858 -2.1507 8.9404e+05 2024-05-19 10:52:54,260 INFO [main.py:798]
{rank 0/64} MD step = 446400 step time: 00:00:00.325703 Performance: 33.523 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:53:00,171 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 90.314 -19176 9898.5 -29074 -29074 4.8368 3.0879 -2.1506 8.9427e+05 2024-05-19 10:53:32,623 INFO [main.py:798]
{rank 0/64} MD step = 446500 step time: 00:00:00.326103 Performance: 33.525 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:53:38,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446500 89300 89.572 -19257 9817.2 -29075 -29075 4.8375 3.0891 -2.1507 8.9448e+05 2024-05-19 10:54:11,007 INFO [main.py:798]
{rank 0/64} MD step = 446600 step time: 00:00:00.326768 Performance: 33.527 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:54:16,748 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 89.58 -19200 9818 -29018 -29018 4.8375 3.0918 -2.1516 8.9467e+05 2024-05-19 10:54:49,078 INFO [main.py:798]
{rank 0/64} MD step = 446700 step time: 00:00:00.325944 Performance: 33.529 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:54:55,284 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 89.058 -19325 9760.9 -29086 -29086 4.8367 3.0957 -2.1523 8.9483e+05 2024-05-19 10:55:27,726 INFO [main.py:798]
{rank 0/64} MD step = 446800 step time: 00:00:00.325566 Performance: 33.531 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-19 10:55:33,538 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 90.664 -18979 9936.8 -28916 -28916 4.8371 3.1001 -2.1528 8.9505e+05 2024-05-19 10:56:06,022 INFO [main.py:798]
{rank 0/64} MD step = 446900 step time: 00:00:00.327224 Performance: 33.533 ns/day 0.716 hours/ns 1.941 steps/s 2024-05-19 10:56:12,177 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 88.822 -19358 9735 -29093 -29093 4.8366 3.1043 -2.1531 8.9521e+05 2024-05-19 10:56:44,548 INFO [main.py:798]
{rank 0/64} MD step = 447000 step time: 00:00:00.325701 Performance: 33.535 ns/day 0.716 hours/ns 1.941 steps/s 2024-05-19 10:56:50,040 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 89.717 -19262 9833.1 -29095 -29095 4.838 3.1056 -2.1534 8.9539e+05 2024-05-19 10:57:22,470 INFO [main.py:798]
{rank 0/64} MD step = 447100 step time: 00:00:00.326592 Performance: 33.537 ns/day 0.716 hours/ns 1.941 steps/s 2024-05-19 10:57:28,961 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 90.635 -19275 9933.7 -29208 -29208 4.8376 3.1101 -2.1516 8.9558e+05 2024-05-19 10:58:01,287 INFO [main.py:798]
{rank 0/64} MD step = 447200 step time: 00:00:00.326210 Performance: 33.538 ns/day 0.716 hours/ns 1.941 steps/s 2024-05-19 10:58:06,242 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 91.082 -19019 9982.7 -29002 -29002 4.8365 3.1118 -2.1543 8.9581e+05 2024-05-19 10:58:38,946 INFO [main.py:798]
{rank 0/64} MD step = 447300 step time: 00:00:00.326954 Performance: 33.540 ns/day 0.716 hours/ns 1.941 steps/s 2024-05-19 10:58:48,572 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 90.653 -19105 9935.7 -29041 -29041 4.8362 3.1147 -2.1544 8.9596e+05 2024-05-19 10:59:21,221 INFO [main.py:798]
{rank 0/64} MD step = 447400 step time: 00:00:00.326754 Performance: 33.542 ns/day 0.716 hours/ns 1.941 steps/s 2024-05-19 10:59:26,565 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 89.93 -19175 9856.4 -29032 -29032 4.8356 3.1182 -2.1545 8.9618e+05 2024-05-19 10:59:59,792 INFO [main.py:798]
{rank 0/64} MD step = 447500 step time: 00:00:00.326738 Performance: 33.544 ns/day 0.715 hours/ns 1.941 steps/s 2024-05-19 11:00:04,826 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 89.784 -19217 9840.5 -29058 -29058 4.8344 3.12 -2.1559 8.9642e+05 2024-05-19 11:00:39,053 INFO [main.py:798]
{rank 0/64} MD step = 447600 step time: 00:00:00.324952 Performance: 33.545 ns/day 0.715 hours/ns 1.941 steps/s 2024-05-19 11:00:44,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447600 89520 90.209 -18920 9887.1 -28807 -28807 4.8348 3.1213 -2.1565 8.9663e+05 2024-05-19 11:01:16,915 INFO [main.py:798]
{rank 0/64} MD step = 447700 step time: 00:00:00.339465 Performance: 33.547 ns/day 0.715 hours/ns 1.941 steps/s 2024-05-19 11:01:20,698 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 89.351 -19502 9792.9 -29295 -29295 4.8339 3.1241 -2.1562 8.9678e+05 2024-05-19 11:01:53,428 INFO [main.py:798]
{rank 0/64} MD step = 447800 step time: 00:00:00.325600 Performance: 33.550 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:01:59,595 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 90.255 -19113 9892.1 -29005 -29005 4.834 3.1287 -2.1558 8.9698e+05 2024-05-19 11:02:32,117 INFO [main.py:798]
{rank 0/64} MD step = 447900 step time: 00:00:00.326704 Performance: 33.551 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:02:37,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447900 89580 89.761 -18981 9837.9 -28819 -28819 4.8345 3.1324 -2.1565 8.9722e+05 2024-05-19 11:03:10,506 INFO [main.py:798]
{rank 0/64} MD step = 448000 step time: 00:00:00.326970 Performance: 33.553 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:03:18,231 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 89.919 -19201 9855.3 -29056 -29056 4.8349 3.1355 -2.1569 8.974e+05 2024-05-19 11:03:50,738 INFO [main.py:798]
{rank 0/64} MD step = 448100 step time: 00:00:00.325152 Performance: 33.555 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:03:57,925 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 91.446 -18999 10023 -29021 -29021 4.8345 3.1408 -2.1559 8.976e+05 2024-05-19 11:04:30,293 INFO [main.py:798]
{rank 0/64} MD step = 448200 step time: 00:00:00.326601 Performance: 33.557 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:04:34,122 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 90.671 -18938 9937.6 -28876 -28876 4.8341 3.1444 -2.1573 8.9784e+05 2024-05-19 11:05:07,847 INFO [main.py:798]
{rank 0/64} MD step = 448300 step time: 00:00:00.325601 Performance: 33.559 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:05:15,587 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 89.865 -19132 9849.3 -28982 -28982 4.8334 3.1478 -2.1576 8.9806e+05 2024-05-19 11:05:48,059 INFO [main.py:798]
{rank 0/64} MD step = 448400 step time: 00:00:00.326812 Performance: 33.560 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:05:53,814 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 90.611 -19123 9931.1 -29054 -29054 4.8321 3.1519 -2.1586 8.9826e+05 2024-05-19 11:06:26,515 INFO [main.py:798]
{rank 0/64} MD step = 448500 step time: 00:00:00.328557 Performance: 33.562 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:06:32,833 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 88.198 -19410 9666.6 -29077 -29077 4.8338 3.1553 -2.1586 8.9848e+05 2024-05-19 11:07:05,182 INFO [main.py:798]
{rank 0/64} MD step = 448600 step time: 00:00:00.325550 Performance: 33.564 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:07:11,535 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 89.545 -19326 9814.2 -29140 -29140 4.8337 3.1604 -2.1598 8.9869e+05 2024-05-19 11:07:44,397 INFO [main.py:798]
{rank 0/64} MD step = 448700 step time: 00:00:00.326079 Performance: 33.566 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-19 11:07:49,685 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 89.816 -19251 9843.9 -29094 -29094 4.8341 3.1655 -2.161 8.9889e+05 2024-05-19 11:08:22,090 INFO [main.py:798]
{rank 0/64} MD step = 448800 step time: 00:00:00.326481 Performance: 33.568 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:08:28,122 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 90.784 -19105 9950 -29055 -29055 4.834 3.1671 -2.1598 8.991e+05 2024-05-19 11:09:00,587 INFO [main.py:798]
{rank 0/64} MD step = 448900 step time: 00:00:00.329371 Performance: 33.570 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:09:06,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448900 89780 89.907 -19082 9854 -28936 -28936 4.8331 3.1704 -2.1602 8.9928e+05 2024-05-19 11:09:38,564 INFO [main.py:798]
{rank 0/64} MD step = 449000 step time: 00:00:00.325715 Performance: 33.572 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:09:43,576 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 90.166 -19280 9882.3 -29163 -29163 4.8334 3.1742 -2.1613 8.9951e+05 2024-05-19 11:10:16,201 INFO [main.py:798]
{rank 0/64} MD step = 449100 step time: 00:00:00.326288 Performance: 33.574 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:10:20,336 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 90.12 -19319 9877.3 -29196 -29196 4.8331 3.1767 -2.1618 8.9973e+05 2024-05-19 11:10:54,048 INFO [main.py:798]
{rank 0/64} MD step = 449200 step time: 00:00:00.327642 Performance: 33.576 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:10:59,702 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 90.817 -19142 9953.7 -29096 -29096 4.8331 3.18 -2.1627 8.9993e+05 2024-05-19 11:11:32,916 INFO [main.py:798]
{rank 0/64} MD step = 449300 step time: 00:00:00.326043 Performance: 33.578 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:11:41,059 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 90.213 -19090 9887.5 -28977 -28977 4.8336 3.1843 -2.1644 9.0019e+05 2024-05-19 11:12:13,625 INFO [main.py:798]
{rank 0/64} MD step = 449400 step time: 00:00:00.326686 Performance: 33.579 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:12:18,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449400 89880 89.012 -19243 9755.9 -28999 -28999 4.8329 3.1884 -2.1647 9.0036e+05 2024-05-19 11:12:52,790 INFO [main.py:798]
{rank 0/64} MD step = 449500 step time: 00:00:00.325826 Performance: 33.581 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:12:57,677 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 89.014 -19375 9756 -29131 -29131 4.8311 3.1932 -2.1644 9.0054e+05 2024-05-19 11:13:30,284 INFO [main.py:798]
{rank 0/64} MD step = 449600 step time: 00:00:00.328185 Performance: 33.583 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-19 11:13:37,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449600 89920 89.664 -19292 9827.2 -29120 -29120 4.8311 3.195 -2.1636 9.0073e+05 2024-05-19 11:14:10,488 INFO [main.py:798]
{rank 0/64} MD step = 449700 step time: 00:00:00.326612 Performance: 33.585 ns/day 0.715 hours/ns 1.944 steps/s 2024-05-19 11:14:17,085 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 90.502 -19186 9919.1 -29105 -29105 4.8324 3.1975 -2.1661 9.0095e+05 2024-05-19 11:14:49,423 INFO [main.py:798]
{rank 0/64} MD step = 449800 step time: 00:00:00.327069 Performance: 33.586 ns/day 0.715 hours/ns 1.944 steps/s 2024-05-19 11:14:55,817 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 90.022 -19254 9866.6 -29120 -29120 4.8343 3.2005 -2.1656 9.0118e+05 2024-05-19 11:15:28,217 INFO [main.py:798]
{rank 0/64} MD step = 449900 step time: 00:00:00.326851 Performance: 33.588 ns/day 0.715 hours/ns 1.944 steps/s 2024-05-19 11:15:33,682 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 89.08 -19228 9763.3 -28991 -28991 4.8333 3.2051 -2.167 9.0138e+05 2024-05-19 11:16:06,108 INFO [main.py:798]
{rank 0/64} MD step = 450000 step time: 00:00:00.326817 Performance: 33.590 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-19 11:16:14,271 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 88.408 -19415 9689.6 -29105 -29105 4.8334 3.2078 -2.1682 9.0152e+05 2024-05-19 11:16:46,988 INFO [main.py:798]
{rank 0/64} MD step = 450100 step time: 00:00:00.336664 Performance: 33.592 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-19 11:16:53,697 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 90.584 -18971 9928.1 -28899 -28899 4.8318 3.2142 -2.1686 9.0175e+05 2024-05-19 11:17:26,122 INFO [main.py:798]
{rank 0/64} MD step = 450200 step time: 00:00:00.326474 Performance: 33.594 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-19 11:17:33,506 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 89.628 -19211 9823.3 -29035 -29035 4.8324 3.2183 -2.1687 9.019e+05 2024-05-19 11:18:05,904 INFO [main.py:798]
{rank 0/64} MD step = 450300 step time: 00:00:00.325822 Performance: 33.595 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-19 11:18:11,064 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 89.704 -19140 9831.7 -28971 -28971 4.8311 3.2223 -2.1688 9.021e+05 2024-05-19 11:18:45,135 INFO [main.py:798]
{rank 0/64} MD step = 450400 step time: 00:00:00.325299 Performance: 33.597 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-19 11:18:50,526 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 89.504 -18913 9809.7 -28723 -28723 4.8317 3.226 -2.1685 9.0235e+05 2024-05-19 11:19:23,284 INFO [main.py:798]
{rank 0/64} MD step = 450500 step time: 00:00:00.362336 Performance: 33.599 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-19 11:19:29,814 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 91.189 -18829 9994.4 -28824 -28824 4.833 3.2293 -2.1674 9.0252e+05 2024-05-19 11:20:02,194 INFO [main.py:798]
{rank 0/64} MD step = 450600 step time: 00:00:00.326284 Performance: 33.601 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-19 11:20:08,515 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 89.405 -18928 9798.9 -28727 -28727 4.8339 3.2308 -2.168 9.0272e+05 2024-05-19 11:20:41,088 INFO [main.py:798]
{rank 0/64} MD step = 450700 step time: 00:00:00.327532 Performance: 33.603 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:20:46,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450700 90140 91.323 -18602 10009 -28611 -28611 4.8331 3.2348 -2.1674 9.0291e+05 2024-05-19 11:21:20,755 INFO [main.py:798]
{rank 0/64} MD step = 450800 step time: 00:00:00.325775 Performance: 33.604 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:21:26,811 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 89.812 -19062 9843.5 -28906 -28906 4.8336 3.2402 -2.1678 9.0306e+05 2024-05-19 11:21:59,466 INFO [main.py:798]
{rank 0/64} MD step = 450900 step time: 00:00:00.326011 Performance: 33.606 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:22:02,968 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 90.24 -18768 9890.4 -28659 -28659 4.8337 3.2445 -2.1684 9.0327e+05 2024-05-19 11:22:35,544 INFO [main.py:798]
{rank 0/64} MD step = 451000 step time: 00:00:00.326355 Performance: 33.608 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:22:42,444 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 89.226 -19100 9779.3 -28879 -28879 4.8347 3.2467 -2.1694 9.0347e+05 2024-05-19 11:23:15,311 INFO [main.py:798]
{rank 0/64} MD step = 451100 step time: 00:00:00.325949 Performance: 33.610 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:24:02,081 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 90.354 -18768 9902.9 -28671 -28671 4.8331 3.2516 -2.1703 9.0371e+05 2024-05-19 11:24:35,139 INFO [main.py:798]
{rank 0/64} MD step = 451200 step time: 00:00:00.327214 Performance: 33.606 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:24:41,577 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 89.395 -19074 9797.8 -28872 -28872 4.8322 3.2544 -2.1708 9.0384e+05 2024-05-19 11:25:14,021 INFO [main.py:798]
{rank 0/64} MD step = 451300 step time: 00:00:00.326250 Performance: 33.608 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:25:20,786 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 89.971 -18818 9860.9 -28679 -28679 4.8327 3.2551 -2.1711 9.0411e+05 2024-05-19 11:25:53,252 INFO [main.py:798]
{rank 0/64} MD step = 451400 step time: 00:00:00.327622 Performance: 33.610 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:25:58,681 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 90.255 -18909 9892 -28801 -28801 4.832 3.2579 -2.1699 9.0425e+05 2024-05-19 11:26:31,358 INFO [main.py:798]
{rank 0/64} MD step = 451500 step time: 00:00:00.325946 Performance: 33.611 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:26:38,139 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 90.13 -19034 9878.4 -28912 -28912 4.8314 3.2592 -2.1701 9.0447e+05 2024-05-19 11:27:10,587 INFO [main.py:798]
{rank 0/64} MD step = 451600 step time: 00:00:00.326101 Performance: 33.613 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:27:16,390 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 89.387 -18973 9796.9 -28770 -28770 4.8302 3.2602 -2.169 9.0471e+05 2024-05-19 11:27:48,852 INFO [main.py:798]
{rank 0/64} MD step = 451700 step time: 00:00:00.325574 Performance: 33.615 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:27:55,254 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 90.736 -19117 9944.8 -29062 -29062 4.8297 3.265 -2.1693 9.0487e+05 2024-05-19 11:28:28,129 INFO [main.py:798]
{rank 0/64} MD step = 451800 step time: 00:00:00.326097 Performance: 33.617 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-19 11:28:34,916 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 89.991 -19094 9863.2 -28957 -28957 4.8302 3.2679 -2.1695 9.0507e+05 2024-05-19 11:29:07,370 INFO [main.py:798]
{rank 0/64} MD step = 451900 step time: 00:00:00.326218 Performance: 33.619 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:29:14,454 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 90.392 -18840 9907 -28747 -28747 4.8314 3.2711 -2.1699 9.0526e+05 2024-05-19 11:29:47,026 INFO [main.py:798]
{rank 0/64} MD step = 452000 step time: 00:00:00.329170 Performance: 33.620 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:29:51,935 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 90.294 -18760 9896.3 -28657 -28657 4.832 3.2769 -2.1703 9.055e+05 2024-05-19 11:30:25,747 INFO [main.py:798]
{rank 0/64} MD step = 452100 step time: 00:00:00.326012 Performance: 33.622 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:30:32,388 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 90.518 -18860 9920.9 -28781 -28781 4.8345 3.2793 -2.1713 9.0566e+05 2024-05-19 11:31:04,752 INFO [main.py:798]
{rank 0/64} MD step = 452200 step time: 00:00:00.326452 Performance: 33.624 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:31:08,776 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 90.574 -18826 9927.1 -28753 -28753 4.8348 3.2826 -2.1726 9.0591e+05 2024-05-19 11:31:43,618 INFO [main.py:798]
{rank 0/64} MD step = 452300 step time: 00:00:00.327060 Performance: 33.626 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:31:49,198 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 90.641 -18853 9934.3 -28787 -28787 4.835 3.2837 -2.173 9.0606e+05 2024-05-19 11:32:21,993 INFO [main.py:798]
{rank 0/64} MD step = 452400 step time: 00:00:00.326166 Performance: 33.628 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:32:23,624 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 89.701 -19042 9831.4 -28874 -28874 4.8356 3.286 -2.1741 9.0626e+05 2024-05-19 11:32:57,888 INFO [main.py:798]
{rank 0/64} MD step = 452500 step time: 00:00:00.326170 Performance: 33.630 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:33:03,355 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 89.169 -18941 9773 -28714 -28714 4.8354 3.2902 -2.1741 9.0647e+05 2024-05-19 11:33:35,892 INFO [main.py:798]
{rank 0/64} MD step = 452600 step time: 00:00:00.326500 Performance: 33.632 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:33:43,460 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 90.054 -18969 9870 -28839 -28839 4.8357 3.2951 -2.1752 9.0667e+05 2024-05-19 11:34:15,918 INFO [main.py:798]
{rank 0/64} MD step = 452700 step time: 00:00:00.325704 Performance: 33.633 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:34:27,109 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 89.316 -19226 9789.2 -29016 -29016 4.8374 3.2991 -2.1746 9.068e+05 2024-05-19 11:34:59,601 INFO [main.py:798]
{rank 0/64} MD step = 452800 step time: 00:00:00.326942 Performance: 33.635 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-19 11:35:09,337 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 89.793 -18986 9841.4 -28827 -28827 4.8366 3.3022 -2.1759 9.0705e+05 2024-05-19 11:35:41,996 INFO [main.py:798]
{rank 0/64} MD step = 452900 step time: 00:00:00.326456 Performance: 33.636 ns/day 0.714 hours/ns 1.947 steps/s 2024-05-19 11:36:01,371 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 88.733 -19454 9725.2 -29179 -29179 4.8368 3.3039 -2.1763 9.0721e+05 2024-05-19 11:36:33,746 INFO [main.py:798]
{rank 0/64} MD step = 453000 step time: 00:00:00.326402 Performance: 33.636 ns/day 0.714 hours/ns 1.947 steps/s 2024-05-19 11:36:38,881 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 90.269 -19099 9893.5 -28993 -28993 4.8389 3.3076 -2.1764 9.0739e+05 2024-05-19 11:37:11,340 INFO [main.py:798]
{rank 0/64} MD step = 453100 step time: 00:00:00.326159 Performance: 33.638 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:37:18,481 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 89.741 -19159 9835.8 -28995 -28995 4.841 3.3108 -2.1779 9.0759e+05 2024-05-19 11:37:50,998 INFO [main.py:798]
{rank 0/64} MD step = 453200 step time: 00:00:00.325579 Performance: 33.640 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:37:55,900 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 89.947 -19172 9858.3 -29031 -29031 4.8427 3.3151 -2.1784 9.0777e+05 2024-05-19 11:38:29,678 INFO [main.py:798]
{rank 0/64} MD step = 453300 step time: 00:00:00.332721 Performance: 33.641 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:38:43,098 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 89.529 -19189 9812.5 -29002 -29002 4.8433 3.3183 -2.1781 9.0801e+05 2024-05-19 11:39:15,819 INFO [main.py:798]
{rank 0/64} MD step = 453400 step time: 00:00:00.326198 Performance: 33.642 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:39:32,830 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 90.514 -19195 9920.4 -29115 -29115 4.8447 3.3184 -2.1789 9.082e+05 2024-05-19 11:40:05,572 INFO [main.py:798]
{rank 0/64} MD step = 453500 step time: 00:00:00.325776 Performance: 33.642 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:40:23,679 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 89.837 -19114 9846.2 -28960 -28960 4.8449 3.3225 -2.1791 9.0841e+05 2024-05-19 11:40:56,111 INFO [main.py:798]
{rank 0/64} MD step = 453600 step time: 00:00:00.326424 Performance: 33.642 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:41:05,396 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 89.988 -19020 9862.8 -28883 -28883 4.8462 3.3249 -2.1805 9.0864e+05 2024-05-19 11:41:38,557 INFO [main.py:798]
{rank 0/64} MD step = 453700 step time: 00:00:00.327136 Performance: 33.644 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:41:46,164 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 89.716 -19188 9833 -29021 -29021 4.8468 3.3275 -2.1825 9.0884e+05 2024-05-19 11:42:21,623 INFO [main.py:798]
{rank 0/64} MD step = 453800 step time: 00:00:00.326651 Performance: 33.645 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:42:26,859 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 90.071 -18936 9871.8 -28808 -28808 4.8477 3.3312 -2.1842 9.0908e+05 2024-05-19 11:42:59,543 INFO [main.py:798]
{rank 0/64} MD step = 453900 step time: 00:00:00.326269 Performance: 33.647 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:43:05,874 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 91.57 -19023 10036 -29059 -29059 4.8475 3.3353 -2.1846 9.0925e+05 2024-05-19 11:43:38,299 INFO [main.py:798]
{rank 0/64} MD step = 454000 step time: 00:00:00.325850 Performance: 33.649 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:43:45,476 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 90.05 -19076 9869.6 -28946 -28946 4.8475 3.3387 -2.1856 9.0942e+05 2024-05-19 11:44:18,086 INFO [main.py:798]
{rank 0/64} MD step = 454100 step time: 00:00:00.327135 Performance: 33.650 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:44:24,866 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 88.334 -19198 9681.6 -28880 -28880 4.8495 3.3438 -2.1883 9.0964e+05 2024-05-19 11:44:57,306 INFO [main.py:798]
{rank 0/64} MD step = 454200 step time: 00:00:00.325272 Performance: 33.652 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-19 11:45:02,626 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 90.629 -19004 9933.1 -28937 -28937 4.8515 3.347 -2.189 9.0978e+05 2024-05-19 11:45:37,172 INFO [main.py:798]
{rank 0/64} MD step = 454300 step time: 00:00:00.326511 Performance: 33.654 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:45:47,848 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 89.862 -19152 9849 -29001 -29001 4.8524 3.3511 -2.1915 9.1001e+05 2024-05-19 11:46:20,237 INFO [main.py:798]
{rank 0/64} MD step = 454400 step time: 00:00:00.327422 Performance: 33.655 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:46:27,218 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 90.377 -19050 9905.5 -28956 -28956 4.8519 3.3547 -2.1916 9.102e+05 2024-05-19 11:46:59,609 INFO [main.py:798]
{rank 0/64} MD step = 454500 step time: 00:00:00.326433 Performance: 33.657 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:47:05,686 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 88.582 -19374 9708.7 -29083 -29083 4.8518 3.3589 -2.1939 9.1042e+05 2024-05-19 11:47:38,220 INFO [main.py:798]
{rank 0/64} MD step = 454600 step time: 00:00:00.325445 Performance: 33.659 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:47:44,556 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 90.109 -19085 9876.1 -28961 -28961 4.8526 3.362 -2.1941 9.1064e+05 2024-05-19 11:48:17,270 INFO [main.py:798]
{rank 0/64} MD step = 454700 step time: 00:00:00.326372 Performance: 33.660 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:48:30,809 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 90.626 -18923 9932.7 -28856 -28856 4.852 3.3647 -2.1938 9.1083e+05 2024-05-19 11:49:03,425 INFO [main.py:798]
{rank 0/64} MD step = 454800 step time: 00:00:00.327609 Performance: 33.661 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:49:22,752 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 88.332 -19339 9681.3 -29020 -29020 4.8513 3.3696 -2.1956 9.1104e+05 2024-05-19 11:49:55,341 INFO [main.py:798]
{rank 0/64} MD step = 454900 step time: 00:00:00.326668 Performance: 33.661 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:50:04,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454900 90980 89.583 -19144 9818.4 -28962 -28962 4.8531 3.3738 -2.197 9.1122e+05 2024-05-19 11:50:37,012 INFO [main.py:798]
{rank 0/64} MD step = 455000 step time: 00:00:00.333273 Performance: 33.662 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:50:43,999 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 89.588 -19074 9818.9 -28893 -28893 4.8541 3.3787 -2.199 9.1142e+05 2024-05-19 11:51:16,517 INFO [main.py:798]
{rank 0/64} MD step = 455100 step time: 00:00:00.325852 Performance: 33.664 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:51:23,146 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 90.108 -18996 9875.9 -28872 -28872 4.8531 3.3819 -2.2003 9.1166e+05 2024-05-19 11:51:55,759 INFO [main.py:798]
{rank 0/64} MD step = 455200 step time: 00:00:00.327056 Performance: 33.666 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:52:01,756 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 90.07 -18932 9871.8 -28804 -28804 4.8534 3.3851 -2.2017 9.1186e+05 2024-05-19 11:52:37,114 INFO [main.py:798]
{rank 0/64} MD step = 455300 step time: 00:00:00.325489 Performance: 33.667 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:52:50,043 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 88.345 -19185 9682.7 -28868 -28868 4.8541 3.3889 -2.2025 9.1204e+05 2024-05-19 11:53:24,491 INFO [main.py:798]
{rank 0/64} MD step = 455400 step time: 00:00:00.325902 Performance: 33.668 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:53:33,425 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 90.052 -19097 9869.8 -28966 -28966 4.8545 3.3927 -2.2016 9.1216e+05 2024-05-19 11:54:06,013 INFO [main.py:798]
{rank 0/64} MD step = 455500 step time: 00:00:00.326328 Performance: 33.669 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-19 11:54:12,522 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 89.757 -19076 9837.5 -28914 -28914 4.8533 3.3963 -2.2015 9.124e+05 2024-05-19 11:54:45,042 INFO [main.py:798]
{rank 0/64} MD step = 455600 step time: 00:00:00.326456 Performance: 33.671 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-19 11:54:51,740 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 91.186 -18646 9994.1 -28640 -28640 4.8528 3.3973 -2.2038 9.1263e+05 2024-05-19 11:55:24,328 INFO [main.py:798]
{rank 0/64} MD step = 455700 step time: 00:00:00.326058 Performance: 33.673 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-19 11:55:30,953 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 89.379 -18795 9796 -28591 -28591 4.8532 3.3976 -2.2045 9.1282e+05 2024-05-19 11:56:03,333 INFO [main.py:798]
{rank 0/64} MD step = 455800 step time: 00:00:00.325901 Performance: 33.675 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-19 11:56:10,304 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 89.937 -18915 9857.2 -28773 -28773 4.8547 3.401 -2.2053 9.1296e+05 2024-05-19 11:56:42,660 INFO [main.py:798]
{rank 0/64} MD step = 455900 step time: 00:00:00.326502 Performance: 33.676 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-19 11:56:49,852 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 89.347 -18959 9792.5 -28752 -28752 4.8553 3.4041 -2.2076 9.132e+05 2024-05-19 11:57:23,604 INFO [main.py:798]
{rank 0/64} MD step = 456000 step time: 00:00:00.325986 Performance: 33.678 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-19 11:57:29,406 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 89.534 -18844 9813.1 -28657 -28657 4.8574 3.4079 -2.2103 9.134e+05 2024-05-19 11:58:02,085 INFO [main.py:798]
{rank 0/64} MD step = 456100 step time: 00:00:00.325640 Performance: 33.680 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-19 11:58:09,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456100 91220 90.049 -19039 9869.4 -28908 -28908 4.859 3.4118 -2.2107 9.1353e+05 2024-05-19 11:58:41,452 INFO [main.py:798]
{rank 0/64} MD step = 456200 step time: 00:00:00.326641 Performance: 33.681 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-19 11:58:47,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456200 91240 90.077 -18848 9872.6 -28720 -28720 4.8589 3.4156 -2.2112 9.1375e+05 2024-05-19 11:59:19,960 INFO [main.py:798]
{rank 0/64} MD step = 456300 step time: 00:00:00.326306 Performance: 33.683 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-19 11:59:25,914 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 89.927 -18953 9856.1 -28809 -28809 4.8587 3.421 -2.2127 9.1393e+05 2024-05-19 12:00:00,217 INFO [main.py:798]
{rank 0/64} MD step = 456400 step time: 00:00:00.326069 Performance: 33.685 ns/day 0.712 hours/ns 1.949 steps/s 2024-05-19 12:00:08,696 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 90.403 -18979 9908.3 -28887 -28887 4.8595 3.4256 -2.2149 9.1413e+05 2024-05-19 12:00:41,359 INFO [main.py:798]
{rank 0/64} MD step = 456500 step time: 00:00:00.326495 Performance: 33.686 ns/day 0.712 hours/ns 1.949 steps/s 2024-05-19 12:00:47,980 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 90.193 -18733 9885.3 -28618 -28618 4.8592 3.4277 -2.2152 9.1435e+05 2024-05-19 12:01:20,508 INFO [main.py:798]
{rank 0/64} MD step = 456600 step time: 00:00:00.325586 Performance: 33.688 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:01:28,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456600 91320 90.415 -18866 9909.6 -28776 -28776 4.8601 3.431 -2.2168 9.1453e+05 2024-05-19 12:02:01,340 INFO [main.py:798]
{rank 0/64} MD step = 456700 step time: 00:00:00.326314 Performance: 33.689 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:02:14,266 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 90.091 -18853 9874.1 -28727 -28727 4.8618 3.4338 -2.2171 9.1478e+05 2024-05-19 12:02:49,841 INFO [main.py:798]
{rank 0/64} MD step = 456800 step time: 00:00:00.326006 Performance: 33.690 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:02:57,291 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 88.959 -19048 9750.1 -28798 -28798 4.8601 3.4376 -2.2195 9.1495e+05 2024-05-19 12:03:30,100 INFO [main.py:798]
{rank 0/64} MD step = 456900 step time: 00:00:00.326968 Performance: 33.691 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:03:36,236 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 89.596 -18994 9819.8 -28814 -28814 4.8601 3.4407 -2.2202 9.1517e+05 2024-05-19 12:04:09,458 INFO [main.py:798]
{rank 0/64} MD step = 457000 step time: 00:00:00.325950 Performance: 33.693 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:04:18,417 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 89.874 -19149 9850.3 -28999 -28999 4.8591 3.4454 -2.2215 9.1533e+05 2024-05-19 12:04:50,960 INFO [main.py:798]
{rank 0/64} MD step = 457100 step time: 00:00:00.326310 Performance: 33.695 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:05:05,905 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 90.494 -19043 9918.2 -28962 -28962 4.8589 3.4476 -2.2215 9.1551e+05 2024-05-19 12:05:40,793 INFO [main.py:798]
{rank 0/64} MD step = 457200 step time: 00:00:00.327222 Performance: 33.695 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:05:53,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457200 91440 90.254 -19021 9891.9 -28913 -28913 4.8606 3.452 -2.2226 9.1573e+05 2024-05-19 12:06:26,392 INFO [main.py:798]
{rank 0/64} MD step = 457300 step time: 00:00:00.326487 Performance: 33.696 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:06:34,705 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 90.929 -18923 9965.9 -28889 -28889 4.8623 3.4549 -2.2228 9.1589e+05 2024-05-19 12:07:07,097 INFO [main.py:798]
{rank 0/64} MD step = 457400 step time: 00:00:00.326990 Performance: 33.697 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:07:12,486 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 90.058 -19038 9870.5 -28908 -28908 4.8628 3.4586 -2.2251 9.1611e+05 2024-05-19 12:07:44,835 INFO [main.py:798]
{rank 0/64} MD step = 457500 step time: 00:00:00.325176 Performance: 33.699 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:07:50,709 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 88.727 -19155 9724.5 -28880 -28880 4.8619 3.4615 -2.2266 9.1632e+05 2024-05-19 12:08:24,229 INFO [main.py:798]
{rank 0/64} MD step = 457600 step time: 00:00:00.327602 Performance: 33.701 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:08:29,208 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 88.712 -19104 9722.9 -28827 -28827 4.8621 3.4658 -2.2258 9.1653e+05 2024-05-19 12:09:01,641 INFO [main.py:798]
{rank 0/64} MD step = 457700 step time: 00:00:00.326419 Performance: 33.703 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:09:07,385 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 90.801 -19030 9952 -28982 -28982 4.8622 3.4689 -2.2265 9.1674e+05 2024-05-19 12:09:39,822 INFO [main.py:798]
{rank 0/64} MD step = 457800 step time: 00:00:00.325672 Performance: 33.705 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-19 12:09:45,747 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 91.389 -18904 10016 -28920 -28920 4.8628 3.4721 -2.2271 9.1695e+05 2024-05-19 12:10:18,415 INFO [main.py:798]
{rank 0/64} MD step = 457900 step time: 00:00:00.326327 Performance: 33.706 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:10:25,146 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 91.446 -18785 10023 -28807 -28807 4.863 3.4755 -2.2285 9.1712e+05 2024-05-19 12:10:57,798 INFO [main.py:798]
{rank 0/64} MD step = 458000 step time: 00:00:00.326040 Performance: 33.708 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:11:04,279 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 90.652 -19133 9935.6 -29069 -29069 4.8639 3.479 -2.2301 9.1728e+05 2024-05-19 12:11:36,901 INFO [main.py:798]
{rank 0/64} MD step = 458100 step time: 00:00:00.336601 Performance: 33.710 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:11:48,867 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 90.167 -18980 9882.5 -28863 -28863 4.8634 3.4814 -2.2304 9.1747e+05 2024-05-19 12:12:22,594 INFO [main.py:798]
{rank 0/64} MD step = 458200 step time: 00:00:00.328331 Performance: 33.711 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:12:28,270 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 90.507 -18799 9919.6 -28719 -28719 4.8628 3.4839 -2.2325 9.1771e+05 2024-05-19 12:13:02,396 INFO [main.py:798]
{rank 0/64} MD step = 458300 step time: 00:00:00.326228 Performance: 33.712 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:13:08,442 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 90.488 -18801 9917.5 -28718 -28718 4.8632 3.4886 -2.2355 9.1784e+05 2024-05-19 12:13:41,288 INFO [main.py:798]
{rank 0/64} MD step = 458400 step time: 00:00:00.325764 Performance: 33.714 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:13:48,499 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 89.868 -18850 9849.7 -28699 -28699 4.8637 3.493 -2.2364 9.1806e+05 2024-05-19 12:14:23,225 INFO [main.py:798]
{rank 0/64} MD step = 458500 step time: 00:00:00.325979 Performance: 33.715 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:14:31,607 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 90.836 -18835 9955.7 -28790 -28790 4.8639 3.495 -2.2388 9.1825e+05 2024-05-19 12:15:04,117 INFO [main.py:798]
{rank 0/64} MD step = 458600 step time: 00:00:00.326596 Performance: 33.717 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:15:10,912 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 91.302 -18821 10007 -28828 -28828 4.8634 3.5 -2.2392 9.1843e+05 2024-05-19 12:15:43,396 INFO [main.py:798]
{rank 0/64} MD step = 458700 step time: 00:00:00.325424 Performance: 33.719 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:15:53,047 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 89.171 -18909 9773.3 -28683 -28683 4.866 3.504 -2.2401 9.1864e+05 2024-05-19 12:16:25,692 INFO [main.py:798]
{rank 0/64} MD step = 458800 step time: 00:00:00.325621 Performance: 33.720 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:16:30,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458800 91760 90.38 -18852 9905.7 -28758 -28758 4.8646 3.5079 -2.2396 9.1882e+05 2024-05-19 12:17:04,654 INFO [main.py:798]
{rank 0/64} MD step = 458900 step time: 00:00:00.327009 Performance: 33.722 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-19 12:17:13,771 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 90.788 -19125 9950.5 -29076 -29076 4.8648 3.5098 -2.2385 9.19e+05 2024-05-19 12:17:46,482 INFO [main.py:798]
{rank 0/64} MD step = 459000 step time: 00:00:00.325583 Performance: 33.723 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:18:05,813 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 89.19 -19135 9775.3 -28910 -28910 4.8651 3.5125 -2.2383 9.1925e+05 2024-05-19 12:18:38,150 INFO [main.py:798]
{rank 0/64} MD step = 459100 step time: 00:00:00.326597 Performance: 33.723 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:18:51,164 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 89.914 -19213 9854.7 -29068 -29068 4.8644 3.5163 -2.2387 9.1942e+05 2024-05-19 12:19:27,094 INFO [main.py:798]
{rank 0/64} MD step = 459200 step time: 00:00:00.325424 Performance: 33.723 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:19:35,645 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 89.245 -19094 9781.4 -28875 -28875 4.8632 3.5182 -2.2412 9.1958e+05 2024-05-19 12:20:08,186 INFO [main.py:798]
{rank 0/64} MD step = 459300 step time: 00:00:00.326002 Performance: 33.725 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:20:22,208 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 89.143 -19163 9770.2 -28934 -28934 4.8621 3.5214 -2.2411 9.1974e+05 2024-05-19 12:20:55,244 INFO [main.py:798]
{rank 0/64} MD step = 459400 step time: 00:00:00.325912 Performance: 33.725 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:21:03,828 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 90.15 -19042 9880.5 -28923 -28923 4.8624 3.5244 -2.2418 9.1995e+05 2024-05-19 12:21:36,273 INFO [main.py:798]
{rank 0/64} MD step = 459500 step time: 00:00:00.377917 Performance: 33.727 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:21:45,316 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 89.157 -19382 9771.7 -29153 -29153 4.8626 3.5246 -2.2428 9.2012e+05 2024-05-19 12:22:17,671 INFO [main.py:798]
{rank 0/64} MD step = 459600 step time: 00:00:00.326225 Performance: 33.728 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:22:25,172 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 88.918 -19300 9745.5 -29046 -29046 4.8627 3.5296 -2.2439 9.203e+05 2024-05-19 12:22:57,927 INFO [main.py:798]
{rank 0/64} MD step = 459700 step time: 00:00:00.326484 Performance: 33.730 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:23:06,489 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 89.174 -19158 9773.5 -28932 -28932 4.8615 3.533 -2.2439 9.2052e+05 2024-05-19 12:23:40,622 INFO [main.py:798]
{rank 0/64} MD step = 459800 step time: 00:00:00.326912 Performance: 33.731 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-19 12:23:49,600 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 90.255 -18948 9892 -28840 -28840 4.8628 3.5343 -2.2434 9.2077e+05 2024-05-19 12:24:22,763 INFO [main.py:798]
{rank 0/64} MD step = 459900 step time: 00:00:00.326055 Performance: 33.732 ns/day 0.711 hours/ns 1.952 steps/s 2024-05-19 12:24:29,061 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 89.71 -19068 9832.3 -28900 -28900 4.8633 3.5373 -2.2445 9.2093e+05 2024-05-19 12:25:01,688 INFO [main.py:798]
{rank 0/64} MD step = 460000 step time: 00:00:00.326162 Performance: 33.734 ns/day 0.711 hours/ns 1.952 steps/s 2024-05-19 12:25:06,614 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 90.201 -19133 9886.1 -29019 -29019 4.8626 3.5402 -2.2441 9.2109e+05 2024-05-19 12:25:39,792 INFO [main.py:798]
{rank 0/64} MD step = 460100 step time: 00:00:00.325520 Performance: 33.736 ns/day 0.711 hours/ns 1.952 steps/s 2024-05-19 12:25:45,714 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 90.651 -19216 9935.5 -29151 -29151 4.862 3.5437 -2.2463 9.2128e+05 2024-05-19 12:26:18,152 INFO [main.py:798]
{rank 0/64} MD step = 460200 step time: 00:00:00.326830 Performance: 33.738 ns/day 0.711 hours/ns 1.952 steps/s 2024-05-19 12:26:26,143 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 90.657 -19211 9936.1 -29147 -29147 4.8621 3.5465 -2.2474 9.2147e+05 2024-05-19 12:27:00,174 INFO [main.py:798]
{rank 0/64} MD step = 460300 step time: 00:00:00.326287 Performance: 33.739 ns/day 0.711 hours/ns 1.952 steps/s 2024-05-19 12:27:08,300 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 90.318 -19229 9898.9 -29128 -29128 4.86 3.5492 -2.2475 9.2173e+05 2024-05-19 12:27:40,683 INFO [main.py:798]
{rank 0/64} MD step = 460400 step time: 00:00:00.325746 Performance: 33.741 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:27:58,382 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 91.311 -19040 10008 -29048 -29048 4.8592 3.5517 -2.2489 9.2193e+05 2024-05-19 12:28:30,941 INFO [main.py:798]
{rank 0/64} MD step = 460500 step time: 00:00:00.330706 Performance: 33.741 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:28:45,733 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 89.097 -19376 9765.1 -29142 -29142 4.8575 3.5553 -2.2473 9.2213e+05 2024-05-19 12:29:18,420 INFO [main.py:798]
{rank 0/64} MD step = 460600 step time: 00:00:00.326436 Performance: 33.741 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:29:26,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460600 92120 90.84 -19018 9956.2 -28974 -28974 4.8584 3.558 -2.247 9.2234e+05 2024-05-19 12:29:59,218 INFO [main.py:798]
{rank 0/64} MD step = 460700 step time: 00:00:00.327230 Performance: 33.743 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:30:05,309 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 90.138 -19415 9879.2 -29294 -29294 4.8583 3.5587 -2.2461 9.2253e+05 2024-05-19 12:30:38,773 INFO [main.py:798]
{rank 0/64} MD step = 460800 step time: 00:00:00.327197 Performance: 33.744 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:30:47,322 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 90.312 -19233 9898.3 -29131 -29131 4.857 3.56 -2.2493 9.2274e+05 2024-05-19 12:31:21,478 INFO [main.py:798]
{rank 0/64} MD step = 460900 step time: 00:00:00.325934 Performance: 33.746 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:31:32,278 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 89.566 -19278 9816.6 -29094 -29094 4.8563 3.5618 -2.2493 9.2293e+05 2024-05-19 12:32:04,683 INFO [main.py:798]
{rank 0/64} MD step = 461000 step time: 00:00:00.325600 Performance: 33.747 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:32:19,320 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 89.695 -19501 9830.7 -29332 -29332 4.854 3.5637 -2.2503 9.2309e+05 2024-05-19 12:32:51,846 INFO [main.py:798]
{rank 0/64} MD step = 461100 step time: 00:00:00.326766 Performance: 33.747 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:33:03,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461100 92220 90.717 -19099 9942.7 -29042 -29042 4.8542 3.5677 -2.2503 9.2335e+05 2024-05-19 12:33:37,132 INFO [main.py:798]
{rank 0/64} MD step = 461200 step time: 00:00:00.326834 Performance: 33.748 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:33:40,964 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 90.139 -19164 9879.4 -29044 -29044 4.8541 3.5712 -2.2525 9.2354e+05 2024-05-19 12:34:15,179 INFO [main.py:798]
{rank 0/64} MD step = 461300 step time: 00:00:00.325871 Performance: 33.750 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:34:22,842 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 90.012 -19220 9865.4 -29086 -29086 4.8528 3.5736 -2.2533 9.2373e+05 2024-05-19 12:34:55,678 INFO [main.py:798]
{rank 0/64} MD step = 461400 step time: 00:00:00.326910 Performance: 33.752 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:34:59,294 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 90.928 -19225 9965.8 -29190 -29190 4.8521 3.5791 -2.2547 9.2392e+05 2024-05-19 12:35:31,878 INFO [main.py:798]
{rank 0/64} MD step = 461500 step time: 00:00:00.326989 Performance: 33.754 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:35:39,022 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 90.281 -19373 9894.9 -29267 -29267 4.85 3.5832 -2.2547 9.2405e+05 2024-05-19 12:36:11,579 INFO [main.py:798]
{rank 0/64} MD step = 461600 step time: 00:00:00.326142 Performance: 33.755 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-19 12:36:15,463 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 89.819 -19390 9844.2 -29234 -29234 4.8485 3.585 -2.2534 9.2425e+05 2024-05-19 12:36:49,454 INFO [main.py:798]
{rank 0/64} MD step = 461700 step time: 00:00:00.326602 Performance: 33.757 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:36:57,264 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 88.579 -19404 9708.3 -29113 -29113 4.8463 3.5881 -2.2545 9.2445e+05 2024-05-19 12:37:29,802 INFO [main.py:798]
{rank 0/64} MD step = 461800 step time: 00:00:00.326446 Performance: 33.759 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:37:37,035 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 89.991 -19016 9863.2 -28880 -28880 4.8436 3.5906 -2.2561 9.2467e+05 2024-05-19 12:38:09,454 INFO [main.py:798]
{rank 0/64} MD step = 461900 step time: 00:00:00.325066 Performance: 33.761 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:38:16,464 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 90.242 -18976 9890.7 -28867 -28867 4.8422 3.5945 -2.2579 9.2487e+05 2024-05-19 12:38:48,884 INFO [main.py:798]
{rank 0/64} MD step = 462000 step time: 00:00:00.326869 Performance: 33.762 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:38:54,875 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 89.587 -19074 9818.8 -28893 -28893 4.8416 3.5973 -2.2585 9.2506e+05 2024-05-19 12:39:27,301 INFO [main.py:798]
{rank 0/64} MD step = 462100 step time: 00:00:00.325816 Performance: 33.764 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:39:43,038 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 90.64 -18907 9934.3 -28841 -28841 4.8388 3.601 -2.2594 9.253e+05 2024-05-19 12:40:15,393 INFO [main.py:798]
{rank 0/64} MD step = 462200 step time: 00:00:00.327610 Performance: 33.764 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:40:24,709 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 91.689 -19013 10049 -29062 -29062 4.8358 3.6033 -2.2587 9.2548e+05 2024-05-19 12:40:57,455 INFO [main.py:798]
{rank 0/64} MD step = 462300 step time: 00:00:00.327158 Performance: 33.766 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:41:04,938 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 89.642 -19156 9824.9 -28981 -28981 4.8334 3.6071 -2.2596 9.2567e+05 2024-05-19 12:41:37,497 INFO [main.py:798]
{rank 0/64} MD step = 462400 step time: 00:00:00.327095 Performance: 33.767 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:41:49,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462400 92480 88.96 -19385 9750.1 -29135 -29135 4.832 3.6112 -2.2612 9.2585e+05 2024-05-19 12:42:22,610 INFO [main.py:798]
{rank 0/64} MD step = 462500 step time: 00:00:00.324909 Performance: 33.768 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:42:28,647 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 89.663 -19179 9827.2 -29007 -29007 4.8312 3.6154 -2.2614 9.2607e+05 2024-05-19 12:43:01,098 INFO [main.py:798]
{rank 0/64} MD step = 462600 step time: 00:00:00.325624 Performance: 33.770 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:43:09,585 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 89.622 -19095 9822.6 -28917 -28917 4.8287 3.6204 -2.2619 9.263e+05 2024-05-19 12:43:42,217 INFO [main.py:798]
{rank 0/64} MD step = 462700 step time: 00:00:00.336207 Performance: 33.771 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:43:54,444 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 89.085 -19031 9763.8 -28795 -28795 4.8261 3.6239 -2.2618 9.2652e+05 2024-05-19 12:44:28,356 INFO [main.py:798]
{rank 0/64} MD step = 462800 step time: 00:00:00.325353 Performance: 33.772 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:44:36,099 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 90.444 -19139 9912.8 -29052 -29052 4.8258 3.6248 -2.2626 9.2669e+05 2024-05-19 12:45:08,674 INFO [main.py:798]
{rank 0/64} MD step = 462900 step time: 00:00:00.325271 Performance: 33.774 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:45:21,111 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 90.14 -19263 9879.4 -29143 -29143 4.8227 3.6276 -2.2634 9.2687e+05 2024-05-19 12:45:54,200 INFO [main.py:798]
{rank 0/64} MD step = 463000 step time: 00:00:00.326132 Performance: 33.775 ns/day 0.711 hours/ns 1.955 steps/s 2024-05-19 12:46:20,076 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 90.745 -18948 9945.8 -28893 -28893 4.8219 3.6293 -2.266 9.2711e+05 2024-05-19 12:46:52,577 INFO [main.py:798]
{rank 0/64} MD step = 463100 step time: 00:00:00.326905 Performance: 33.774 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-19 12:47:00,063 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 90.406 -18936 9908.6 -28844 -28844 4.821 3.6333 -2.266 9.2735e+05 2024-05-19 12:47:32,499 INFO [main.py:798]
{rank 0/64} MD step = 463200 step time: 00:00:00.326496 Performance: 33.775 ns/day 0.711 hours/ns 1.955 steps/s 2024-05-19 12:47:39,681 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 90.501 -19037 9919.1 -28956 -28956 4.8214 3.6349 -2.266 9.2752e+05 2024-05-19 12:48:12,518 INFO [main.py:798]
{rank 0/64} MD step = 463300 step time: 00:00:00.325892 Performance: 33.777 ns/day 0.711 hours/ns 1.955 steps/s 2024-05-19 12:48:18,040 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 88.951 -19378 9749.2 -29127 -29127 4.8197 3.6376 -2.2665 9.2774e+05 2024-05-19 12:48:50,805 INFO [main.py:798]
{rank 0/64} MD step = 463400 step time: 00:00:00.326633 Performance: 33.779 ns/day 0.711 hours/ns 1.955 steps/s 2024-05-19 12:48:57,621 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 89.097 -19192 9765.2 -28957 -28957 4.8188 3.6394 -2.2655 9.2794e+05 2024-05-19 12:49:30,034 INFO [main.py:798]
{rank 0/64} MD step = 463500 step time: 00:00:00.326241 Performance: 33.780 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-19 12:49:36,855 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 89.412 -18933 9799.6 -28733 -28733 4.8183 3.6441 -2.2657 9.2819e+05 2024-05-19 12:50:09,202 INFO [main.py:798]
{rank 0/64} MD step = 463600 step time: 00:00:00.326050 Performance: 33.782 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-19 12:50:14,615 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 90.673 -18972 9937.9 -28910 -28910 4.8178 3.6455 -2.2681 9.2834e+05 2024-05-19 12:50:47,501 INFO [main.py:798]
{rank 0/64} MD step = 463700 step time: 00:00:00.327045 Performance: 33.784 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-19 12:50:54,089 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 89.684 -18930 9829.4 -28760 -28760 4.8178 3.6487 -2.2688 9.2852e+05 2024-05-19 12:51:26,494 INFO [main.py:798]
{rank 0/64} MD step = 463800 step time: 00:00:00.326753 Performance: 33.786 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-19 12:51:34,391 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 90.378 -18992 9905.5 -28897 -28897 4.8171 3.6525 -2.2695 9.2875e+05 2024-05-19 12:52:06,806 INFO [main.py:798]
{rank 0/64} MD step = 463900 step time: 00:00:00.335023 Performance: 33.787 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-19 12:52:16,159 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 89.876 -18921 9850.6 -28771 -28771 4.8172 3.6548 -2.2689 9.2894e+05 2024-05-19 12:52:48,646 INFO [main.py:798]
{rank 0/64} MD step = 464000 step time: 00:00:00.327054 Performance: 33.788 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-19 12:52:57,464 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 90.816 -18832 9953.5 -28785 -28785 4.8173 3.6574 -2.2695 9.2918e+05 2024-05-19 12:53:30,209 INFO [main.py:798]
{rank 0/64} MD step = 464100 step time: 00:00:00.326557 Performance: 33.790 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-19 12:53:37,270 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 90.334 -18995 9900.7 -28895 -28895 4.8161 3.6611 -2.2708 9.2933e+05 2024-05-19 12:54:09,633 INFO [main.py:798]
{rank 0/64} MD step = 464200 step time: 00:00:00.325009 Performance: 33.791 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:54:19,673 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 89.995 -19053 9863.5 -28916 -28916 4.8169 3.6634 -2.2722 9.2954e+05 2024-05-19 12:54:52,856 INFO [main.py:798]
{rank 0/64} MD step = 464300 step time: 00:00:00.326157 Performance: 33.793 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:55:00,076 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 91.713 -18976 10052 -29027 -29027 4.8171 3.6659 -2.2742 9.297e+05 2024-05-19 12:55:33,457 INFO [main.py:798]
{rank 0/64} MD step = 464400 step time: 00:00:00.327319 Performance: 33.794 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:55:40,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464400 92880 89.929 -19166 9856.3 -29022 -29022 4.8168 3.6678 -2.2746 9.2991e+05 2024-05-19 12:56:13,115 INFO [main.py:798]
{rank 0/64} MD step = 464500 step time: 00:00:00.326452 Performance: 33.796 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:56:27,431 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 88.572 -19245 9707.6 -28952 -28952 4.8142 3.6712 -2.2742 9.3015e+05 2024-05-19 12:56:59,804 INFO [main.py:798]
{rank 0/64} MD step = 464600 step time: 00:00:00.327018 Performance: 33.796 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:57:09,545 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 89.823 -19109 9844.7 -28954 -28954 4.8145 3.6748 -2.275 9.303e+05 2024-05-19 12:57:42,202 INFO [main.py:798]
{rank 0/64} MD step = 464700 step time: 00:00:00.325707 Performance: 33.798 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:57:52,830 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 90.612 -18975 9931.2 -28906 -28906 4.8144 3.6801 -2.2765 9.3053e+05 2024-05-19 12:58:25,280 INFO [main.py:798]
{rank 0/64} MD step = 464800 step time: 00:00:00.325507 Performance: 33.799 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:58:31,416 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 90.686 -18992 9939.3 -28931 -28931 4.8163 3.6838 -2.275 9.3074e+05 2024-05-19 12:59:04,636 INFO [main.py:798]
{rank 0/64} MD step = 464900 step time: 00:00:00.326550 Performance: 33.800 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:59:11,120 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 92.245 -18814 10110 -28924 -28924 4.817 3.6867 -2.2733 9.3094e+05 2024-05-19 12:59:43,752 INFO [main.py:798]
{rank 0/64} MD step = 465000 step time: 00:00:00.325641 Performance: 33.802 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 12:59:50,717 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 89.273 -19027 9784.5 -28811 -28811 4.8178 3.6891 -2.2747 9.3112e+05 2024-05-19 13:00:23,417 INFO [main.py:798]
{rank 0/64} MD step = 465100 step time: 00:00:00.325853 Performance: 33.804 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 13:00:36,245 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 92.56 -18534 10145 -28679 -28679 4.8149 3.6938 -2.2758 9.3128e+05 2024-05-19 13:01:08,893 INFO [main.py:798]
{rank 0/64} MD step = 465200 step time: 00:00:00.325366 Performance: 33.805 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 13:01:15,963 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 90.997 -19023 9973.4 -28996 -28996 4.8137 3.6973 -2.2789 9.3147e+05 2024-05-19 13:01:50,252 INFO [main.py:798]
{rank 0/64} MD step = 465300 step time: 00:00:00.326174 Performance: 33.806 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 13:02:02,606 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 90.029 -18914 9867.3 -28781 -28781 4.8126 3.699 -2.2786 9.3169e+05 2024-05-19 13:02:35,283 INFO [main.py:798]
{rank 0/64} MD step = 465400 step time: 00:00:00.410489 Performance: 33.807 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-19 13:02:41,590 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 90.323 -19001 9899.5 -28900 -28900 4.8118 3.7016 -2.2783 9.3184e+05 2024-05-19 13:03:14,086 INFO [main.py:798]
{rank 0/64} MD step = 465500 step time: 00:00:00.325364 Performance: 33.809 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:03:20,614 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 90.321 -18906 9899.3 -28805 -28805 4.8108 3.7034 -2.2797 9.3209e+05 2024-05-19 13:03:53,148 INFO [main.py:798]
{rank 0/64} MD step = 465600 step time: 00:00:00.327224 Performance: 33.810 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:04:04,551 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 89.547 -19196 9814.4 -29010 -29010 4.8106 3.7058 -2.2794 9.3227e+05 2024-05-19 13:04:37,307 INFO [main.py:798]
{rank 0/64} MD step = 465700 step time: 00:00:00.327226 Performance: 33.811 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:04:44,972 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 90.416 -18945 9909.7 -28854 -28854 4.8115 3.7092 -2.282 9.3248e+05 2024-05-19 13:05:20,494 INFO [main.py:798]
{rank 0/64} MD step = 465800 step time: 00:00:00.329335 Performance: 33.812 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:05:36,229 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 89.249 -19061 9781.8 -28843 -28843 4.8104 3.7128 -2.2829 9.3269e+05 2024-05-19 13:06:08,856 INFO [main.py:798]
{rank 0/64} MD step = 465900 step time: 00:00:00.325940 Performance: 33.813 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:06:14,093 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 90.105 -19141 9875.7 -29016 -29016 4.8094 3.7154 -2.2836 9.3286e+05 2024-05-19 13:06:48,299 INFO [main.py:798]
{rank 0/64} MD step = 466000 step time: 00:00:00.325719 Performance: 33.814 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:06:58,485 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 90.12 -19064 9877.3 -28941 -28941 4.8105 3.7168 -2.2852 9.3306e+05 2024-05-19 13:07:31,168 INFO [main.py:798]
{rank 0/64} MD step = 466100 step time: 00:00:00.325166 Performance: 33.816 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:07:39,381 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 90.705 -18954 9941.3 -28895 -28895 4.8111 3.7196 -2.2871 9.3325e+05 2024-05-19 13:08:11,852 INFO [main.py:798]
{rank 0/64} MD step = 466200 step time: 00:00:00.325440 Performance: 33.817 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:08:19,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466200 93240 88.621 -19143 9713 -28856 -28856 4.8126 3.7221 -2.2878 9.3343e+05 2024-05-19 13:08:52,014 INFO [main.py:798]
{rank 0/64} MD step = 466300 step time: 00:00:00.325237 Performance: 33.819 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:09:00,196 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 89.127 -19129 9768.4 -28897 -28897 4.8114 3.7246 -2.2891 9.3367e+05 2024-05-19 13:09:32,746 INFO [main.py:798]
{rank 0/64} MD step = 466400 step time: 00:00:00.325804 Performance: 33.820 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:09:42,721 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 89.016 -19024 9756.2 -28780 -28780 4.8112 3.7266 -2.2908 9.3383e+05 2024-05-19 13:10:15,155 INFO [main.py:798]
{rank 0/64} MD step = 466500 step time: 00:00:00.325687 Performance: 33.821 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:10:28,840 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 90.906 -18643 9963.5 -28606 -28606 4.8109 3.7287 -2.2915 9.3404e+05 2024-05-19 13:11:01,444 INFO [main.py:798]
{rank 0/64} MD step = 466600 step time: 00:00:00.324545 Performance: 33.822 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:11:13,386 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 89.813 -19154 9843.6 -28998 -28998 4.8131 3.731 -2.2913 9.3418e+05 2024-05-19 13:11:52,948 INFO [main.py:798]
{rank 0/64} MD step = 466700 step time: 00:00:00.326517 Performance: 33.822 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:12:06,216 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 89.783 -19014 9840.3 -28855 -28855 4.8117 3.7339 -2.2919 9.3442e+05 2024-05-19 13:12:38,634 INFO [main.py:798]
{rank 0/64} MD step = 466800 step time: 00:00:00.325776 Performance: 33.823 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:12:44,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466800 93360 91.264 -18977 10003 -28980 -28980 4.8094 3.7381 -2.2937 9.346e+05 2024-05-19 13:13:17,117 INFO [main.py:798]
{rank 0/64} MD step = 466900 step time: 00:00:00.326852 Performance: 33.824 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-19 13:13:23,565 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 91.148 -18868 9989.9 -28857 -28857 4.8085 3.7417 -2.293 9.3479e+05 2024-05-19 13:13:56,472 INFO [main.py:798]
{rank 0/64} MD step = 467000 step time: 00:00:00.326216 Performance: 33.826 ns/day 0.710 hours/ns 1.958 steps/s 2024-05-19 13:14:03,367 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 89.42 -19064 9800.6 -28865 -28865 4.8097 3.7451 -2.2931 9.3504e+05 2024-05-19 13:14:36,077 INFO [main.py:798]
{rank 0/64} MD step = 467100 step time: 00:00:00.325962 Performance: 33.828 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:14:45,745 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 91.384 -18888 10016 -28904 -28904 4.8112 3.7485 -2.2943 9.3521e+05 2024-05-19 13:15:18,427 INFO [main.py:798]
{rank 0/64} MD step = 467200 step time: 00:00:00.325063 Performance: 33.829 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:15:25,352 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 89.666 -19224 9827.5 -29052 -29052 4.8122 3.7494 -2.297 9.3543e+05 2024-05-19 13:15:58,416 INFO [main.py:798]
{rank 0/64} MD step = 467300 step time: 00:00:00.327353 Performance: 33.831 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:16:06,175 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 90.163 -19118 9882 -29000 -29000 4.8132 3.7531 -2.2977 9.3561e+05 2024-05-19 13:16:38,653 INFO [main.py:798]
{rank 0/64} MD step = 467400 step time: 00:00:00.325832 Performance: 33.832 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:16:46,217 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 89.264 -19145 9783.4 -28928 -28928 4.8155 3.7545 -2.3004 9.3584e+05 2024-05-19 13:17:18,948 INFO [main.py:798]
{rank 0/64} MD step = 467500 step time: 00:00:00.327204 Performance: 33.834 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:17:27,571 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 90.308 -19180 9897.9 -29078 -29078 4.8162 3.7568 -2.3001 9.3603e+05 2024-05-19 13:18:00,110 INFO [main.py:798]
{rank 0/64} MD step = 467600 step time: 00:00:00.325074 Performance: 33.835 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:18:11,512 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 88.687 -19107 9720.2 -28827 -28827 4.8161 3.7592 -2.3019 9.3628e+05 2024-05-19 13:18:43,992 INFO [main.py:798]
{rank 0/64} MD step = 467700 step time: 00:00:00.327499 Performance: 33.836 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:18:57,003 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 90.098 -19151 9874.8 -29026 -29026 4.8154 3.7598 -2.3027 9.3645e+05 2024-05-19 13:19:29,645 INFO [main.py:798]
{rank 0/64} MD step = 467800 step time: 00:00:00.326568 Performance: 33.837 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:19:34,821 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 90.814 -19071 9953.4 -29024 -29024 4.8174 3.7635 -2.3033 9.3662e+05 2024-05-19 13:20:07,243 INFO [main.py:798]
{rank 0/64} MD step = 467900 step time: 00:00:00.326779 Performance: 33.839 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:20:13,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467900 93580 90.162 -19150 9881.9 -29032 -29032 4.8182 3.7667 -2.3043 9.3682e+05 2024-05-19 13:20:46,036 INFO [main.py:798]
{rank 0/64} MD step = 468000 step time: 00:00:00.326215 Performance: 33.840 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:20:52,429 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 90.728 -19048 9943.9 -28992 -28992 4.8184 3.7694 -2.3054 9.3702e+05 2024-05-19 13:21:26,353 INFO [main.py:798]
{rank 0/64} MD step = 468100 step time: 00:00:00.326024 Performance: 33.842 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-19 13:21:36,654 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 90.311 -19061 9898.1 -28959 -28959 4.8187 3.7718 -2.3079 9.3724e+05 2024-05-19 13:22:09,424 INFO [main.py:798]
{rank 0/64} MD step = 468200 step time: 00:00:00.326124 Performance: 33.843 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:22:15,918 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 90.86 -18948 9958.3 -28906 -28906 4.8197 3.7734 -2.3094 9.3743e+05 2024-05-19 13:22:48,404 INFO [main.py:798]
{rank 0/64} MD step = 468300 step time: 00:00:00.358155 Performance: 33.845 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:22:54,523 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 90.563 -19117 9925.9 -29043 -29043 4.8226 3.7761 -2.3098 9.3762e+05 2024-05-19 13:23:31,976 INFO [main.py:798]
{rank 0/64} MD step = 468400 step time: 00:00:00.326660 Performance: 33.846 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:23:38,710 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 90.564 -19005 9925.9 -28930 -28930 4.8229 3.7781 -2.3103 9.3783e+05 2024-05-19 13:24:12,383 INFO [main.py:798]
{rank 0/64} MD step = 468500 step time: 00:00:00.326337 Performance: 33.847 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:24:17,602 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 90.619 -18936 9931.9 -28868 -28868 4.8224 3.7825 -2.3107 9.3806e+05 2024-05-19 13:24:50,413 INFO [main.py:798]
{rank 0/64} MD step = 468600 step time: 00:00:00.327300 Performance: 33.849 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:24:56,017 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 89.903 -19061 9853.5 -28914 -28914 4.822 3.7862 -2.3122 9.3824e+05 2024-05-19 13:25:30,095 INFO [main.py:798]
{rank 0/64} MD step = 468700 step time: 00:00:00.357552 Performance: 33.851 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:25:42,454 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 89.955 -19045 9859.2 -28904 -28904 4.8232 3.7903 -2.3132 9.3838e+05 2024-05-19 13:26:15,810 INFO [main.py:798]
{rank 0/64} MD step = 468800 step time: 00:00:00.326860 Performance: 33.852 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:26:22,091 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 89.79 -19125 9841.1 -28966 -28966 4.8224 3.7919 -2.3148 9.386e+05 2024-05-19 13:26:56,349 INFO [main.py:798]
{rank 0/64} MD step = 468900 step time: 00:00:00.325876 Performance: 33.853 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:27:02,894 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 89.925 -19215 9855.9 -29071 -29071 4.8221 3.793 -2.3167 9.3872e+05 2024-05-19 13:27:35,475 INFO [main.py:798]
{rank 0/64} MD step = 469000 step time: 00:00:00.325849 Performance: 33.855 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:27:42,105 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 89.173 -19421 9773.5 -29195 -29195 4.8234 3.7957 -2.3178 9.3892e+05 2024-05-19 13:28:14,534 INFO [main.py:798]
{rank 0/64} MD step = 469100 step time: 00:00:00.325892 Performance: 33.856 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:28:22,281 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 89.986 -18943 9862.6 -28805 -28805 4.8245 3.7984 -2.3167 9.3917e+05 2024-05-19 13:28:54,717 INFO [main.py:798]
{rank 0/64} MD step = 469200 step time: 00:00:00.325900 Performance: 33.858 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:29:00,562 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 89.472 -19226 9806.3 -29032 -29032 4.8249 3.8019 -2.3184 9.3936e+05 2024-05-19 13:29:33,409 INFO [main.py:798]
{rank 0/64} MD step = 469300 step time: 00:00:00.326621 Performance: 33.860 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-19 13:29:42,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469300 93860 89.915 -19259 9854.8 -29114 -29114 4.8254 3.8049 -2.3186 9.3958e+05 2024-05-19 13:30:15,308 INFO [main.py:798]
{rank 0/64} MD step = 469400 step time: 00:00:00.326055 Performance: 33.861 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:30:23,173 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 90.969 -19244 9970.3 -29214 -29214 4.8256 3.8089 -2.3196 9.3977e+05 2024-05-19 13:30:55,639 INFO [main.py:798]
{rank 0/64} MD step = 469500 step time: 00:00:00.326816 Performance: 33.863 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:31:07,776 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 91.304 -19092 10007 -29099 -29099 4.8247 3.8108 -2.3201 9.3999e+05 2024-05-19 13:31:40,635 INFO [main.py:798]
{rank 0/64} MD step = 469600 step time: 00:00:00.326865 Performance: 33.863 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:31:46,164 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 91.33 -18961 10010 -28970 -28970 4.8258 3.8149 -2.321 9.402e+05 2024-05-19 13:32:21,950 INFO [main.py:798]
{rank 0/64} MD step = 469700 step time: 00:00:00.326107 Performance: 33.865 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:32:31,489 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 89.862 -19276 9849 -29125 -29125 4.8275 3.8172 -2.3198 9.4043e+05 2024-05-19 13:33:05,007 INFO [main.py:798]
{rank 0/64} MD step = 469800 step time: 00:00:00.325889 Performance: 33.866 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:33:15,262 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 90.876 -19267 9960.1 -29227 -29227 4.8289 3.8196 -2.3216 9.406e+05 2024-05-19 13:33:47,869 INFO [main.py:798]
{rank 0/64} MD step = 469900 step time: 00:00:00.324816 Performance: 33.867 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:33:57,206 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 90.648 -19483 9935.1 -29418 -29418 4.8285 3.8223 -2.3241 9.4073e+05 2024-05-19 13:34:31,712 INFO [main.py:798]
{rank 0/64} MD step = 470000 step time: 00:00:00.326694 Performance: 33.868 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:34:38,922 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 89.491 -19418 9808.4 -29226 -29226 4.83 3.8245 -2.3261 9.4101e+05 2024-05-19 13:35:11,660 INFO [main.py:798]
{rank 0/64} MD step = 470100 step time: 00:00:00.327365 Performance: 33.870 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:35:17,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 94020 90.551 -19034 9924.5 -28958 -28958 4.8296 3.8261 -2.3269 9.4124e+05 2024-05-19 13:35:53,720 INFO [main.py:798]
{rank 0/64} MD step = 470200 step time: 00:00:00.325951 Performance: 33.871 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:36:04,094 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 90.646 -19390 9934.9 -29325 -29325 4.8304 3.8283 -2.3274 9.4143e+05 2024-05-19 13:36:36,916 INFO [main.py:798]
{rank 0/64} MD step = 470300 step time: 00:00:00.336550 Performance: 33.872 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:36:42,323 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 89.926 -19404 9856 -29260 -29260 4.8311 3.8303 -2.3278 9.4162e+05 2024-05-19 13:37:16,323 INFO [main.py:798]
{rank 0/64} MD step = 470400 step time: 00:00:00.326777 Performance: 33.874 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-19 13:37:27,304 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 89.458 -19237 9804.7 -29042 -29042 4.8312 3.834 -2.3298 9.4187e+05 2024-05-19 13:37:59,840 INFO [main.py:798]
{rank 0/64} MD step = 470500 step time: 00:00:00.326363 Performance: 33.875 ns/day 0.708 hours/ns 1.960 steps/s 2024-05-19 13:38:08,702 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 89.1 -19428 9765.5 -29193 -29193 4.8317 3.837 -2.3292 9.4205e+05 2024-05-19 13:38:41,347 INFO [main.py:798]
{rank 0/64} MD step = 470600 step time: 00:00:00.327069 Performance: 33.876 ns/day 0.708 hours/ns 1.960 steps/s 2024-05-19 13:38:52,343 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 90.495 -19034 9918.3 -28953 -28953 4.8315 3.8407 -2.3291 9.4229e+05 2024-05-19 13:39:24,773 INFO [main.py:798]
{rank 0/64} MD step = 470700 step time: 00:00:00.326824 Performance: 33.877 ns/day 0.708 hours/ns 1.960 steps/s 2024-05-19 13:39:33,028 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 90.875 -18950 9960 -28910 -28910 4.8309 3.8443 -2.3298 9.425e+05 2024-05-19 13:40:05,512 INFO [main.py:798]
{rank 0/64} MD step = 470800 step time: 00:00:00.326155 Performance: 33.879 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:40:11,705 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 89.86 -19022 9848.7 -28871 -28871 4.8293 3.8459 -2.3313 9.427e+05 2024-05-19 13:40:45,771 INFO [main.py:798]
{rank 0/64} MD step = 470900 step time: 00:00:00.325839 Performance: 33.880 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:40:53,173 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 89.146 -19241 9770.5 -29012 -29012 4.8304 3.848 -2.3313 9.4288e+05 2024-05-19 13:41:25,518 INFO [main.py:798]
{rank 0/64} MD step = 471000 step time: 00:00:00.325162 Performance: 33.882 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:41:32,010 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 89.987 -19112 9862.7 -28974 -28974 4.8314 3.852 -2.3316 9.4306e+05 2024-05-19 13:42:04,515 INFO [main.py:798]
{rank 0/64} MD step = 471100 step time: 00:00:00.326217 Performance: 33.883 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:42:12,073 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 90.734 -18919 9944.6 -28863 -28863 4.8315 3.8538 -2.3337 9.4328e+05 2024-05-19 13:42:45,399 INFO [main.py:798]
{rank 0/64} MD step = 471200 step time: 00:00:00.326995 Performance: 33.885 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:42:54,978 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 90.819 -19063 9953.8 -29017 -29017 4.8318 3.8567 -2.3328 9.4343e+05 2024-05-19 13:43:27,944 INFO [main.py:798]
{rank 0/64} MD step = 471300 step time: 00:00:00.326366 Performance: 33.886 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:43:41,310 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 89.296 -19069 9786.9 -28856 -28856 4.8328 3.8576 -2.3337 9.4367e+05 2024-05-19 13:44:13,811 INFO [main.py:798]
{rank 0/64} MD step = 471400 step time: 00:00:00.325581 Performance: 33.887 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:44:20,477 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 90.987 -18902 9972.3 -28874 -28874 4.833 3.8589 -2.3354 9.4391e+05 2024-05-19 13:44:53,024 INFO [main.py:798]
{rank 0/64} MD step = 471500 step time: 00:00:00.326325 Performance: 33.888 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:45:04,128 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 89.724 -19129 9833.9 -28963 -28963 4.8347 3.8605 -2.337 9.4409e+05 2024-05-19 13:45:36,628 INFO [main.py:798]
{rank 0/64} MD step = 471600 step time: 00:00:00.330340 Performance: 33.889 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:45:42,861 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 89.62 -19102 9822.4 -28924 -28924 4.8356 3.8623 -2.3387 9.4429e+05 2024-05-19 13:46:17,090 INFO [main.py:798]
{rank 0/64} MD step = 471700 step time: 00:00:00.325585 Performance: 33.891 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:46:24,197 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 90.765 -18843 9948 -28791 -28791 4.8372 3.8641 -2.3411 9.4452e+05 2024-05-19 13:46:56,700 INFO [main.py:798]
{rank 0/64} MD step = 471800 step time: 00:00:00.333637 Performance: 33.892 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:47:03,909 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 91 -18740 9973.8 -28714 -28714 4.8373 3.867 -2.3433 9.4471e+05 2024-05-19 13:47:38,283 INFO [main.py:798]
{rank 0/64} MD step = 471900 step time: 00:00:00.326283 Performance: 33.894 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-19 13:47:46,668 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 90.567 -18885 9926.2 -28811 -28811 4.8371 3.8685 -2.3462 9.4493e+05 2024-05-19 13:48:19,073 INFO [main.py:798]
{rank 0/64} MD step = 472000 step time: 00:00:00.325596 Performance: 33.895 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:48:26,533 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 88.87 -19030 9740.2 -28771 -28771 4.8372 3.8696 -2.3484 9.4516e+05 2024-05-19 13:49:00,990 INFO [main.py:798]
{rank 0/64} MD step = 472100 step time: 00:00:00.326597 Performance: 33.897 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:49:20,700 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 90.332 -18869 9900.5 -28770 -28770 4.8368 3.8713 -2.3493 9.4535e+05 2024-05-19 13:49:53,467 INFO [main.py:798]
{rank 0/64} MD step = 472200 step time: 00:00:00.325431 Performance: 33.896 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:50:04,036 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 88.827 -19195 9735.6 -28931 -28931 4.8375 3.8734 -2.3513 9.4552e+05 2024-05-19 13:50:36,689 INFO [main.py:798]
{rank 0/64} MD step = 472300 step time: 00:00:00.335825 Performance: 33.897 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:50:45,808 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 90.603 -18754 9930.2 -28684 -28684 4.8381 3.8752 -2.352 9.4579e+05 2024-05-19 13:51:18,343 INFO [main.py:798]
{rank 0/64} MD step = 472400 step time: 00:00:00.326732 Performance: 33.899 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:51:25,966 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 92.387 -18702 10126 -28828 -28828 4.8379 3.8775 -2.352 9.4598e+05 2024-05-19 13:51:58,422 INFO [main.py:798]
{rank 0/64} MD step = 472500 step time: 00:00:00.326621 Performance: 33.900 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:52:05,417 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 90.276 -18952 9894.3 -28846 -28846 4.8377 3.8787 -2.3525 9.4615e+05 2024-05-19 13:52:38,640 INFO [main.py:798]
{rank 0/64} MD step = 472600 step time: 00:00:00.325817 Performance: 33.902 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:52:44,967 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 90.518 -18943 9920.8 -28863 -28863 4.8359 3.8801 -2.3529 9.4633e+05 2024-05-19 13:53:17,443 INFO [main.py:798]
{rank 0/64} MD step = 472700 step time: 00:00:00.325263 Performance: 33.903 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:53:22,963 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 90.367 -19110 9904.3 -29015 -29015 4.835 3.8808 -2.3531 9.4654e+05 2024-05-19 13:53:57,864 INFO [main.py:798]
{rank 0/64} MD step = 472800 step time: 00:00:00.325914 Performance: 33.905 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:54:06,742 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 89.891 -18973 9852.2 -28825 -28825 4.8352 3.8819 -2.3558 9.4676e+05 2024-05-19 13:54:39,380 INFO [main.py:798]
{rank 0/64} MD step = 472900 step time: 00:00:00.326477 Performance: 33.906 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:54:45,200 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 90.093 -18841 9874.3 -28715 -28715 4.8347 3.8835 -2.357 9.4693e+05 2024-05-19 13:55:17,730 INFO [main.py:798]
{rank 0/64} MD step = 473000 step time: 00:00:00.324997 Performance: 33.908 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:55:27,054 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 90.9 -19115 9962.8 -29078 -29078 4.8345 3.8871 -2.3586 9.4706e+05 2024-05-19 13:56:01,530 INFO [main.py:798]
{rank 0/64} MD step = 473100 step time: 00:00:00.358032 Performance: 33.909 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:56:06,157 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 90.576 -19011 9927.3 -28938 -28938 4.8346 3.8894 -2.3608 9.4729e+05 2024-05-19 13:56:40,248 INFO [main.py:798]
{rank 0/64} MD step = 473200 step time: 00:00:00.325769 Performance: 33.911 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-19 13:56:46,949 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 89.099 -19236 9765.4 -29002 -29002 4.8336 3.893 -2.3598 9.4749e+05 2024-05-19 13:57:19,505 INFO [main.py:798]
{rank 0/64} MD step = 473300 step time: 00:00:00.326665 Performance: 33.912 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-19 13:57:27,172 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 89.661 -19000 9827 -28827 -28827 4.8348 3.8944 -2.3602 9.477e+05 2024-05-19 13:58:01,035 INFO [main.py:798]
{rank 0/64} MD step = 473400 step time: 00:00:00.326526 Performance: 33.914 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-19 13:58:11,214 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 89.858 -19206 9848.6 -29054 -29054 4.8362 3.8968 -2.3602 9.4788e+05 2024-05-19 13:58:43,760 INFO [main.py:798]
{rank 0/64} MD step = 473500 step time: 00:00:00.325348 Performance: 33.915 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-19 13:58:50,581 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 89.268 -19071 9783.9 -28854 -28854 4.8359 3.8978 -2.3613 9.4816e+05 2024-05-19 13:59:24,673 INFO [main.py:798]
{rank 0/64} MD step = 473600 step time: 00:00:00.326537 Performance: 33.916 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-19 13:59:30,431 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 89.005 -19077 9755 -28832 -28832 4.8351 3.8993 -2.3622 9.4832e+05 2024-05-19 14:00:03,095 INFO [main.py:798]
{rank 0/64} MD step = 473700 step time: 00:00:00.327883 Performance: 33.918 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-19 14:00:09,972 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 90.733 -18888 9944.4 -28833 -28833 4.8357 3.9025 -2.3627 9.4855e+05 2024-05-19 14:00:42,505 INFO [main.py:798]
{rank 0/64} MD step = 473800 step time: 00:00:00.327124 Performance: 33.920 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-19 14:00:48,302 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 89.005 -19172 9755.1 -28927 -28927 4.836 3.9047 -2.3634 9.4869e+05 2024-05-19 14:01:22,245 INFO [main.py:798]
{rank 0/64} MD step = 473900 step time: 00:00:00.325631 Performance: 33.921 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-19 14:01:33,004 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 89.706 -19166 9831.9 -28998 -28998 4.8364 3.9062 -2.365 9.489e+05 2024-05-19 14:02:05,406 INFO [main.py:798]
{rank 0/64} MD step = 474000 step time: 00:00:00.326630 Performance: 33.922 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-19 14:02:19,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474000 94800 90.282 -18975 9895 -28870 -28870 4.838 3.9098 -2.3644 9.4912e+05 2024-05-19 14:02:51,811 INFO [main.py:798]
{rank 0/64} MD step = 474100 step time: 00:00:00.326512 Performance: 33.923 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-19 14:03:09,790 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 89.935 -18892 9857 -28749 -28749 4.8373 3.9121 -2.3643 9.4927e+05 2024-05-19 14:03:43,902 INFO [main.py:798]
{rank 0/64} MD step = 474200 step time: 00:00:00.326790 Performance: 33.923 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-19 14:03:49,477 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 89.717 -18842 9833.1 -28675 -28675 4.8382 3.9147 -2.3665 9.4946e+05 2024-05-19 14:04:23,309 INFO [main.py:798]
{rank 0/64} MD step = 474300 step time: 00:00:00.326242 Performance: 33.924 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-19 14:04:30,057 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 90.021 -18803 9866.4 -28669 -28669 4.8399 3.916 -2.3684 9.4967e+05 2024-05-19 14:05:02,526 INFO [main.py:798]
{rank 0/64} MD step = 474400 step time: 00:00:00.325959 Performance: 33.926 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-19 14:05:07,291 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 91.111 -18934 9985.9 -28920 -28920 4.8414 3.9188 -2.3689 9.4982e+05 2024-05-19 14:05:40,820 INFO [main.py:798]
{rank 0/64} MD step = 474500 step time: 00:00:00.325549 Performance: 33.928 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-19 14:05:49,250 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 90.848 -18740 9957 -28697 -28697 4.8416 3.9203 -2.3688 9.5007e+05 2024-05-19 14:06:22,278 INFO [main.py:798]
{rank 0/64} MD step = 474600 step time: 00:00:00.325998 Performance: 33.929 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-19 14:06:24,972 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 89.901 -18952 9853.2 -28805 -28805 4.8424 3.9214 -2.371 9.5028e+05 2024-05-19 14:06:58,549 INFO [main.py:798]
{rank 0/64} MD step = 474700 step time: 00:00:00.326756 Performance: 33.931 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:07:05,322 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 88.3 -19287 9677.8 -28965 -28965 4.8422 3.9234 -2.3747 9.5045e+05 2024-05-19 14:07:37,985 INFO [main.py:798]
{rank 0/64} MD step = 474800 step time: 00:00:00.325646 Performance: 33.933 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:07:43,867 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 90.471 -18978 9915.7 -28894 -28894 4.8439 3.9247 -2.3758 9.5067e+05 2024-05-19 14:08:16,404 INFO [main.py:798]
{rank 0/64} MD step = 474900 step time: 00:00:00.325555 Performance: 33.935 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:08:24,411 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 89.531 -19060 9812.7 -28873 -28873 4.8435 3.9254 -2.3768 9.5088e+05 2024-05-19 14:08:56,764 INFO [main.py:798]
{rank 0/64} MD step = 475000 step time: 00:00:00.343764 Performance: 33.936 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:09:01,884 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 89.128 -19004 9768.6 -28772 -28772 4.8452 3.9287 -2.3767 9.5115e+05 2024-05-19 14:09:35,551 INFO [main.py:798]
{rank 0/64} MD step = 475100 step time: 00:00:00.326128 Performance: 33.938 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:09:43,377 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 90.886 -18932 9961.2 -28893 -28893 4.8457 3.9318 -2.376 9.5135e+05 2024-05-19 14:10:15,779 INFO [main.py:798]
{rank 0/64} MD step = 475200 step time: 00:00:00.325337 Performance: 33.939 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:10:26,045 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 89.233 -19170 9780.1 -28950 -28950 4.8473 3.9335 -2.3744 9.5156e+05 2024-05-19 14:10:58,672 INFO [main.py:798]
{rank 0/64} MD step = 475300 step time: 00:00:00.326970 Performance: 33.940 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:11:12,994 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 89.263 -19131 9783.3 -28915 -28915 4.8484 3.9343 -2.3746 9.517e+05 2024-05-19 14:11:45,431 INFO [main.py:798]
{rank 0/64} MD step = 475400 step time: 00:00:00.326047 Performance: 33.941 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:11:53,271 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 89.669 -19053 9827.9 -28881 -28881 4.8502 3.9368 -2.3732 9.519e+05 2024-05-19 14:12:25,706 INFO [main.py:798]
{rank 0/64} MD step = 475500 step time: 00:00:00.325960 Performance: 33.943 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:12:35,307 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 90.298 -19141 9896.8 -29038 -29038 4.8522 3.938 -2.3706 9.5213e+05 2024-05-19 14:13:08,439 INFO [main.py:798]
{rank 0/64} MD step = 475600 step time: 00:00:00.326184 Performance: 33.944 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:13:15,644 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 88.636 -19363 9714.6 -29078 -29078 4.8535 3.9405 -2.3697 9.5228e+05 2024-05-19 14:13:48,150 INFO [main.py:798]
{rank 0/64} MD step = 475700 step time: 00:00:00.325793 Performance: 33.945 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:13:55,614 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 89.326 -19139 9790.2 -28929 -28929 4.8539 3.9427 -2.3705 9.5247e+05 2024-05-19 14:14:30,033 INFO [main.py:798]
{rank 0/64} MD step = 475800 step time: 00:00:00.325952 Performance: 33.946 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-19 14:14:36,603 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 90.908 -18833 9963.7 -28797 -28797 4.856 3.943 -2.3706 9.5268e+05 2024-05-19 14:15:10,370 INFO [main.py:798]
{rank 0/64} MD step = 475900 step time: 00:00:00.325913 Performance: 33.948 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:15:24,311 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 90.545 -18944 9923.8 -28868 -28868 4.8578 3.9459 -2.3704 9.5287e+05 2024-05-19 14:15:57,225 INFO [main.py:798]
{rank 0/64} MD step = 476000 step time: 00:00:00.326479 Performance: 33.949 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:16:06,287 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 89.345 -19276 9792.3 -29068 -29068 4.8582 3.9464 -2.3691 9.5307e+05 2024-05-19 14:16:39,215 INFO [main.py:798]
{rank 0/64} MD step = 476100 step time: 00:00:00.326681 Performance: 33.950 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:16:43,904 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 91.171 -19068 9992.5 -29061 -29061 4.8589 3.9491 -2.3692 9.5327e+05 2024-05-19 14:17:17,933 INFO [main.py:798]
{rank 0/64} MD step = 476200 step time: 00:00:00.325667 Performance: 33.951 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:17:24,428 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 90.618 -19017 9931.8 -28949 -28949 4.8591 3.9515 -2.3679 9.5345e+05 2024-05-19 14:17:57,035 INFO [main.py:798]
{rank 0/64} MD step = 476300 step time: 00:00:00.365989 Performance: 33.953 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:18:03,431 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 90.623 -19099 9932.4 -29031 -29031 4.86 3.9532 -2.3655 9.5369e+05 2024-05-19 14:18:36,475 INFO [main.py:798]
{rank 0/64} MD step = 476400 step time: 00:00:00.325918 Performance: 33.955 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:18:42,317 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 90.098 -19021 9874.9 -28896 -28896 4.8621 3.9532 -2.3649 9.539e+05 2024-05-19 14:19:15,151 INFO [main.py:798]
{rank 0/64} MD step = 476500 step time: 00:00:00.325924 Performance: 33.956 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:19:20,819 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 90.386 -19001 9906.4 -28907 -28907 4.862 3.9554 -2.3641 9.5406e+05 2024-05-19 14:19:55,537 INFO [main.py:798]
{rank 0/64} MD step = 476600 step time: 00:00:00.326548 Performance: 33.958 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:20:02,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476600 95320 88.805 -19117 9733.1 -28850 -28850 4.8646 3.9571 -2.3643 9.5426e+05 2024-05-19 14:20:34,881 INFO [main.py:798]
{rank 0/64} MD step = 476700 step time: 00:00:00.327092 Performance: 33.960 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:20:41,520 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 90.657 -18982 9936.1 -28918 -28918 4.8669 3.9579 -2.3642 9.5447e+05 2024-05-19 14:21:13,891 INFO [main.py:798]
{rank 0/64} MD step = 476800 step time: 00:00:00.326662 Performance: 33.961 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:21:21,070 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 89.683 -19054 9829.4 -28884 -28884 4.8695 3.9585 -2.3642 9.5463e+05 2024-05-19 14:21:53,533 INFO [main.py:798]
{rank 0/64} MD step = 476900 step time: 00:00:00.327794 Performance: 33.963 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-19 14:22:01,375 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 89.633 -18987 9823.9 -28811 -28811 4.8702 3.96 -2.3656 9.5489e+05 2024-05-19 14:22:33,917 INFO [main.py:798]
{rank 0/64} MD step = 477000 step time: 00:00:00.324583 Performance: 33.964 ns/day 0.707 hours/ns 1.966 steps/s 2024-05-19 14:22:43,270 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 90.076 -18913 9872.5 -28785 -28785 4.8731 3.9614 -2.3664 9.5505e+05 2024-05-19 14:23:16,095 INFO [main.py:798]
{rank 0/64} MD step = 477100 step time: 00:00:00.325935 Performance: 33.965 ns/day 0.707 hours/ns 1.966 steps/s 2024-05-19 14:23:24,474 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 90.608 -18773 9930.8 -28704 -28704 4.874 3.9636 -2.3653 9.553e+05 2024-05-19 14:23:56,855 INFO [main.py:798]
{rank 0/64} MD step = 477200 step time: 00:00:00.336127 Performance: 33.967 ns/day 0.707 hours/ns 1.966 steps/s 2024-05-19 14:24:12,526 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 89.359 -18988 9793.8 -28781 -28781 4.8755 3.9656 -2.3651 9.5546e+05 2024-05-19 14:24:47,320 INFO [main.py:798]
{rank 0/64} MD step = 477300 step time: 00:00:00.326435 Performance: 33.967 ns/day 0.707 hours/ns 1.966 steps/s 2024-05-19 14:24:58,544 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 87.799 -19131 9622.8 -28754 -28754 4.8751 3.9681 -2.3651 9.5563e+05 2024-05-19 14:25:31,040 INFO [main.py:798]
{rank 0/64} MD step = 477400 step time: 00:00:00.325826 Performance: 33.968 ns/day 0.707 hours/ns 1.966 steps/s 2024-05-19 14:25:39,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477400 95480 90.021 -18853 9866.4 -28719 -28719 4.8755 3.9712 -2.3632 9.5584e+05 2024-05-19 14:26:12,596 INFO [main.py:798]
{rank 0/64} MD step = 477500 step time: 00:00:00.324775 Performance: 33.969 ns/day 0.707 hours/ns 1.966 steps/s 2024-05-19 14:26:22,125 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 89.758 -18955 9837.6 -28793 -28793 4.8765 3.9747 -2.3635 9.5606e+05 2024-05-19 14:26:55,110 INFO [main.py:798]
{rank 0/64} MD step = 477600 step time: 00:00:00.326738 Performance: 33.970 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:27:00,316 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 90.87 -18977 9959.4 -28936 -28936 4.8763 3.9764 -2.3628 9.5628e+05 2024-05-19 14:27:35,906 INFO [main.py:798]
{rank 0/64} MD step = 477700 step time: 00:00:00.327818 Performance: 33.972 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:27:52,901 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 89.562 -19266 9816.2 -29082 -29082 4.8778 3.9757 -2.3616 9.5646e+05 2024-05-19 14:28:25,576 INFO [main.py:798]
{rank 0/64} MD step = 477800 step time: 00:00:00.325034 Performance: 33.972 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:28:32,465 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 88.567 -19155 9707 -28862 -28862 4.8793 3.9762 -2.3601 9.5673e+05 2024-05-19 14:29:04,924 INFO [main.py:798]
{rank 0/64} MD step = 477900 step time: 00:00:00.326070 Performance: 33.974 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:29:15,971 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 89.909 -19023 9854.2 -28877 -28877 4.8803 3.9781 -2.3602 9.5696e+05 2024-05-19 14:29:48,455 INFO [main.py:798]
{rank 0/64} MD step = 478000 step time: 00:00:00.325788 Performance: 33.975 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:29:53,758 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 89.707 -18855 9832 -28687 -28687 4.8819 3.979 -2.3602 9.5715e+05 2024-05-19 14:30:27,936 INFO [main.py:798]
{rank 0/64} MD step = 478100 step time: 00:00:00.326940 Performance: 33.976 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:30:34,904 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 89.704 -19201 9831.7 -29032 -29032 4.8821 3.9812 -2.3582 9.5734e+05 2024-05-19 14:31:07,354 INFO [main.py:798]
{rank 0/64} MD step = 478200 step time: 00:00:00.326145 Performance: 33.978 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:31:13,931 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 89.642 -19124 9824.8 -28949 -28949 4.8819 3.9825 -2.3586 9.5757e+05 2024-05-19 14:31:47,654 INFO [main.py:798]
{rank 0/64} MD step = 478300 step time: 00:00:00.325492 Performance: 33.979 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:31:53,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478300 95660 89.783 -18815 9840.3 -28655 -28655 4.8824 3.9841 -2.3582 9.5779e+05 2024-05-19 14:32:26,756 INFO [main.py:798]
{rank 0/64} MD step = 478400 step time: 00:00:00.345967 Performance: 33.981 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-19 14:32:31,898 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 89.438 -19045 9802.5 -28848 -28848 4.883 3.9854 -2.3571 9.5797e+05 2024-05-19 14:33:04,489 INFO [main.py:798]
{rank 0/64} MD step = 478500 step time: 00:00:00.326976 Performance: 33.983 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:33:11,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478500 95700 89.671 -18998 9828 -28826 -28826 4.885 3.9875 -2.3549 9.5822e+05 2024-05-19 14:33:44,161 INFO [main.py:798]
{rank 0/64} MD step = 478600 step time: 00:00:00.326076 Performance: 33.984 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:33:51,858 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 90.427 -19039 9910.9 -28950 -28950 4.8841 3.9875 -2.354 9.5842e+05 2024-05-19 14:34:24,281 INFO [main.py:798]
{rank 0/64} MD step = 478700 step time: 00:00:00.325746 Performance: 33.986 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:34:31,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478700 95740 90.245 -18893 9891 -28784 -28784 4.8841 3.9892 -2.3537 9.5866e+05 2024-05-19 14:35:03,989 INFO [main.py:798]
{rank 0/64} MD step = 478800 step time: 00:00:00.326215 Performance: 33.987 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:35:13,414 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 89.376 -18773 9795.7 -28568 -28568 4.8852 3.992 -2.3526 9.5885e+05 2024-05-19 14:35:46,081 INFO [main.py:798]
{rank 0/64} MD step = 478900 step time: 00:00:00.326886 Performance: 33.989 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:35:52,709 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 89.504 -19001 9809.7 -28811 -28811 4.8848 3.9935 -2.3531 9.5904e+05 2024-05-19 14:36:26,529 INFO [main.py:798]
{rank 0/64} MD step = 479000 step time: 00:00:00.326554 Performance: 33.990 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:36:35,066 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 91.067 -18894 9981.1 -28876 -28876 4.8858 3.9933 -2.3541 9.5922e+05 2024-05-19 14:37:07,936 INFO [main.py:798]
{rank 0/64} MD step = 479100 step time: 00:00:00.326223 Performance: 33.991 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:37:12,377 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 90.249 -18969 9891.4 -28860 -28860 4.8868 3.9933 -2.3533 9.5943e+05 2024-05-19 14:37:46,248 INFO [main.py:798]
{rank 0/64} MD step = 479200 step time: 00:00:00.325795 Performance: 33.993 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:37:53,623 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 90.733 -18832 9944.5 -28776 -28776 4.8864 3.9945 -2.3509 9.5961e+05 2024-05-19 14:38:26,132 INFO [main.py:798]
{rank 0/64} MD step = 479300 step time: 00:00:00.327177 Performance: 33.995 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:38:35,464 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 89.518 -18951 9811.3 -28763 -28763 4.8863 3.9956 -2.3503 9.5984e+05 2024-05-19 14:39:07,912 INFO [main.py:798]
{rank 0/64} MD step = 479400 step time: 00:00:00.327141 Performance: 33.996 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:39:16,569 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 89.532 -18863 9812.8 -28676 -28676 4.8879 3.9965 -2.3503 9.6001e+05 2024-05-19 14:39:49,230 INFO [main.py:798]
{rank 0/64} MD step = 479500 step time: 00:00:00.325510 Performance: 33.997 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-19 14:39:55,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479500 95900 90.016 -18962 9865.9 -28828 -28828 4.8896 3.994 -2.3495 9.6018e+05 2024-05-19 14:40:27,879 INFO [main.py:798]
{rank 0/64} MD step = 479600 step time: 00:00:00.326525 Performance: 33.999 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:40:35,391 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 89.248 -19209 9781.7 -28990 -28990 4.8899 3.9939 -2.3503 9.6035e+05 2024-05-19 14:41:08,020 INFO [main.py:798]
{rank 0/64} MD step = 479700 step time: 00:00:00.326849 Performance: 34.000 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:41:14,410 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 90.59 -18889 9928.8 -28817 -28817 4.8922 3.9947 -2.3493 9.606e+05 2024-05-19 14:41:46,805 INFO [main.py:798]
{rank 0/64} MD step = 479800 step time: 00:00:00.335378 Performance: 34.002 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:41:50,746 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 90.967 -18946 9970.1 -28916 -28916 4.8919 3.9952 -2.3485 9.6077e+05 2024-05-19 14:42:24,337 INFO [main.py:798]
{rank 0/64} MD step = 479900 step time: 00:00:00.326111 Performance: 34.004 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:42:31,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479900 95980 88.835 -19180 9736.4 -28917 -28917 4.8922 3.9975 -2.3468 9.6097e+05 2024-05-19 14:43:04,218 INFO [main.py:798]
{rank 0/64} MD step = 480000 step time: 00:00:00.325372 Performance: 34.005 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:43:10,096 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 89.635 -19149 9824.2 -28973 -28973 4.8927 3.9969 -2.3458 9.6114e+05 2024-05-19 14:43:42,550 INFO [main.py:798]
{rank 0/64} MD step = 480100 step time: 00:00:00.324853 Performance: 34.007 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:43:48,540 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 91.317 -19135 10008 -29143 -29143 4.893 3.9968 -2.3442 9.6125e+05 2024-05-19 14:44:20,982 INFO [main.py:798]
{rank 0/64} MD step = 480200 step time: 00:00:00.326514 Performance: 34.009 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:44:28,518 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 88.672 -19269 9718.5 -28988 -28988 4.8944 3.998 -2.3428 9.6148e+05 2024-05-19 14:45:00,945 INFO [main.py:798]
{rank 0/64} MD step = 480300 step time: 00:00:00.325775 Performance: 34.010 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:45:08,495 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 90.225 -18888 9888.7 -28776 -28776 4.8972 3.9978 -2.3413 9.6169e+05 2024-05-19 14:45:41,270 INFO [main.py:798]
{rank 0/64} MD step = 480400 step time: 00:00:00.326198 Performance: 34.012 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:45:47,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480400 96080 89.077 -19174 9763 -28937 -28937 4.8961 4.0002 -2.34 9.6187e+05 2024-05-19 14:46:19,878 INFO [main.py:798]
{rank 0/64} MD step = 480500 step time: 00:00:00.326765 Performance: 34.014 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:46:24,087 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 90.01 -19273 9865.2 -29138 -29138 4.896 4.0016 -2.3381 9.6209e+05 2024-05-19 14:46:58,967 INFO [main.py:798]
{rank 0/64} MD step = 480600 step time: 00:00:00.326519 Performance: 34.015 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-19 14:47:04,659 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 88.515 -19519 9701.4 -29221 -29221 4.8975 4.0024 -2.337 9.6229e+05 2024-05-19 14:47:37,243 INFO [main.py:798]
{rank 0/64} MD step = 480700 step time: 00:00:00.326385 Performance: 34.017 ns/day 0.706 hours/ns 1.969 steps/s 2024-05-19 14:47:44,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480700 96140 90.052 -19019 9869.8 -28889 -28889 4.899 4.0035 -2.3357 9.625e+05 2024-05-19 14:48:16,610 INFO [main.py:798]
{rank 0/64} MD step = 480800 step time: 00:00:00.325680 Performance: 34.019 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:48:22,282 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 90.523 -18899 9921.4 -28821 -28821 4.9004 4.0048 -2.3354 9.6269e+05 2024-05-19 14:48:54,834 INFO [main.py:798]
{rank 0/64} MD step = 480900 step time: 00:00:00.327152 Performance: 34.020 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:49:02,260 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 90.365 -18980 9904.2 -28884 -28884 4.9018 4.0057 -2.3339 9.6291e+05 2024-05-19 14:49:34,956 INFO [main.py:798]
{rank 0/64} MD step = 481000 step time: 00:00:00.326216 Performance: 34.022 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:49:41,902 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 90.651 -18843 9935.4 -28779 -28779 4.9023 4.005 -2.3325 9.6307e+05 2024-05-19 14:50:14,554 INFO [main.py:798]
{rank 0/64} MD step = 481100 step time: 00:00:00.330169 Performance: 34.023 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:50:20,549 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 89.573 -18936 9817.3 -28753 -28753 4.9041 4.0072 -2.3338 9.6327e+05 2024-05-19 14:50:53,237 INFO [main.py:798]
{rank 0/64} MD step = 481200 step time: 00:00:00.326199 Performance: 34.025 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:50:59,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481200 96240 90.136 -18938 9879 -28817 -28817 4.9048 4.0076 -2.3332 9.6351e+05 2024-05-19 14:51:32,460 INFO [main.py:798]
{rank 0/64} MD step = 481300 step time: 00:00:00.326384 Performance: 34.027 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:51:40,627 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 89.234 -18809 9780.1 -28589 -28589 4.906 4.0063 -2.3317 9.6369e+05 2024-05-19 14:52:13,018 INFO [main.py:798]
{rank 0/64} MD step = 481400 step time: 00:00:00.325820 Performance: 34.028 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:52:19,037 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 88.41 -18983 9689.8 -28673 -28673 4.9079 4.0078 -2.3298 9.6389e+05 2024-05-19 14:52:51,534 INFO [main.py:798]
{rank 0/64} MD step = 481500 step time: 00:00:00.326446 Performance: 34.030 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:52:56,721 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 89.759 -18997 9837.7 -28835 -28835 4.9089 4.008 -2.3278 9.6404e+05 2024-05-19 14:53:29,978 INFO [main.py:798]
{rank 0/64} MD step = 481600 step time: 00:00:00.325939 Performance: 34.032 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:53:38,534 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 90.081 -18774 9872.9 -28647 -28647 4.9105 4.008 -2.326 9.6427e+05 2024-05-19 14:54:11,162 INFO [main.py:798]
{rank 0/64} MD step = 481700 step time: 00:00:00.327942 Performance: 34.033 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-19 14:54:19,710 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 90.477 -18948 9916.4 -28865 -28865 4.9135 4.008 -2.3244 9.6444e+05 2024-05-19 14:54:52,193 INFO [main.py:798]
{rank 0/64} MD step = 481800 step time: 00:00:00.326959 Performance: 34.034 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 14:54:59,446 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 89.452 -19203 9804 -29007 -29007 4.9144 4.0083 -2.3242 9.6462e+05 2024-05-19 14:55:31,892 INFO [main.py:798]
{rank 0/64} MD step = 481900 step time: 00:00:00.326005 Performance: 34.036 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 14:55:39,759 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 89.471 -18937 9806.1 -28743 -28743 4.9129 4.0089 -2.3222 9.6485e+05 2024-05-19 14:56:12,509 INFO [main.py:798]
{rank 0/64} MD step = 482000 step time: 00:00:00.326288 Performance: 34.037 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 14:56:20,908 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 90.11 -18812 9876.2 -28689 -28689 4.9133 4.0104 -2.3224 9.6506e+05 2024-05-19 14:56:53,774 INFO [main.py:798]
{rank 0/64} MD step = 482100 step time: 00:00:00.326883 Performance: 34.038 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 14:57:00,562 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 90.136 -18777 9879 -28656 -28656 4.9142 4.0103 -2.3219 9.6524e+05 2024-05-19 14:57:33,934 INFO [main.py:798]
{rank 0/64} MD step = 482200 step time: 00:00:00.326444 Performance: 34.040 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 14:57:41,268 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 90.237 -18997 9890.1 -28887 -28887 4.9175 4.0115 -2.3218 9.654e+05 2024-05-19 14:58:13,748 INFO [main.py:798]
{rank 0/64} MD step = 482300 step time: 00:00:00.326479 Performance: 34.041 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 14:58:18,573 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 90.208 -18840 9886.9 -28726 -28726 4.9188 4.0104 -2.322 9.6564e+05 2024-05-19 14:58:52,181 INFO [main.py:798]
{rank 0/64} MD step = 482400 step time: 00:00:00.326020 Performance: 34.043 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 14:58:59,999 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 90.412 -19025 9909.2 -28934 -28934 4.92 4.0111 -2.32 9.6578e+05 2024-05-19 14:59:32,454 INFO [main.py:798]
{rank 0/64} MD step = 482500 step time: 00:00:00.326603 Performance: 34.045 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 14:59:37,412 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 89.672 -18905 9828.2 -28733 -28733 4.9195 4.0136 -2.3175 9.6597e+05 2024-05-19 15:00:11,676 INFO [main.py:798]
{rank 0/64} MD step = 482600 step time: 00:00:00.358522 Performance: 34.046 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 15:00:18,458 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 90.974 -18860 9970.9 -28830 -28830 4.9202 4.015 -2.3155 9.6618e+05 2024-05-19 15:00:51,086 INFO [main.py:798]
{rank 0/64} MD step = 482700 step time: 00:00:00.326175 Performance: 34.048 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 15:00:57,234 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 90.144 -18960 9879.9 -28840 -28840 4.9218 4.0178 -2.3134 9.6637e+05 2024-05-19 15:01:29,844 INFO [main.py:798]
{rank 0/64} MD step = 482800 step time: 00:00:00.326679 Performance: 34.049 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-19 15:01:34,109 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 89.416 -18957 9800.1 -28757 -28757 4.9251 4.0177 -2.3126 9.6659e+05 2024-05-19 15:02:07,588 INFO [main.py:798]
{rank 0/64} MD step = 482900 step time: 00:00:00.325865 Performance: 34.051 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:02:14,033 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 90.695 -18779 9940.3 -28720 -28720 4.9254 4.0194 -2.311 9.6682e+05 2024-05-19 15:02:46,768 INFO [main.py:798]
{rank 0/64} MD step = 483000 step time: 00:00:00.340152 Performance: 34.053 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:02:53,819 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 88.749 -19171 9727 -28898 -28898 4.9269 4.0207 -2.3104 9.6704e+05 2024-05-19 15:03:27,555 INFO [main.py:798]
{rank 0/64} MD step = 483100 step time: 00:00:00.326025 Performance: 34.054 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:03:33,447 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 91.064 -18715 9980.7 -28696 -28696 4.9276 4.0217 -2.3107 9.6724e+05 2024-05-19 15:04:05,896 INFO [main.py:798]
{rank 0/64} MD step = 483200 step time: 00:00:00.325632 Performance: 34.056 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:04:11,281 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 90.076 -18879 9872.4 -28752 -28752 4.9285 4.0218 -2.3122 9.674e+05 2024-05-19 15:04:44,007 INFO [main.py:798]
{rank 0/64} MD step = 483300 step time: 00:00:00.325773 Performance: 34.058 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:04:49,987 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 90.875 -18820 9960 -28780 -28780 4.9285 4.0229 -2.311 9.6763e+05 2024-05-19 15:05:23,514 INFO [main.py:798]
{rank 0/64} MD step = 483400 step time: 00:00:00.326263 Performance: 34.059 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:05:33,087 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 89.172 -18882 9773.4 -28656 -28656 4.929 4.0228 -2.3101 9.6785e+05 2024-05-19 15:06:05,469 INFO [main.py:798]
{rank 0/64} MD step = 483500 step time: 00:00:00.325732 Performance: 34.061 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:06:10,424 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 90.659 -18908 9936.4 -28844 -28844 4.9286 4.023 -2.3083 9.6802e+05 2024-05-19 15:06:43,354 INFO [main.py:798]
{rank 0/64} MD step = 483600 step time: 00:00:00.326118 Performance: 34.062 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:06:47,920 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 89.769 -19126 9838.8 -28965 -28965 4.9287 4.0231 -2.3065 9.6821e+05 2024-05-19 15:07:21,809 INFO [main.py:798]
{rank 0/64} MD step = 483700 step time: 00:00:00.326265 Performance: 34.064 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:07:28,603 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 90.149 -18957 9880.4 -28837 -28837 4.9301 4.0249 -2.3052 9.6844e+05 2024-05-19 15:08:01,047 INFO [main.py:798]
{rank 0/64} MD step = 483800 step time: 00:00:00.325637 Performance: 34.066 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-19 15:08:07,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483800 96760 88.902 -18859 9743.7 -28603 -28603 4.9328 4.0245 -2.3044 9.6866e+05 2024-05-19 15:08:39,720 INFO [main.py:798]
{rank 0/64} MD step = 483900 step time: 00:00:00.325508 Performance: 34.067 ns/day 0.704 hours/ns 1.971 steps/s 2024-05-19 15:08:44,716 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 90.089 -18889 9873.8 -28763 -28763 4.9335 4.0249 -2.3038 9.6881e+05 2024-05-19 15:09:19,112 INFO [main.py:798]
{rank 0/64} MD step = 484000 step time: 00:00:00.325608 Performance: 34.069 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:09:28,534 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 90.413 -19022 9909.4 -28932 -28932 4.9358 4.0256 -2.3038 9.6901e+05 2024-05-19 15:10:01,486 INFO [main.py:798]
{rank 0/64} MD step = 484100 step time: 00:00:00.326382 Performance: 34.070 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:10:07,007 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 88.218 -19140 9668.8 -28809 -28809 4.9354 4.0235 -2.3031 9.692e+05 2024-05-19 15:10:40,726 INFO [main.py:798]
{rank 0/64} MD step = 484200 step time: 00:00:00.326337 Performance: 34.072 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:10:46,594 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 90.736 -18884 9944.7 -28829 -28829 4.936 4.024 -2.3022 9.6945e+05 2024-05-19 15:11:18,959 INFO [main.py:798]
{rank 0/64} MD step = 484300 step time: 00:00:00.325619 Performance: 34.073 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:11:26,533 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 90.656 -19151 9936 -29087 -29087 4.9381 4.023 -2.302 9.6964e+05 2024-05-19 15:11:59,117 INFO [main.py:798]
{rank 0/64} MD step = 484400 step time: 00:00:00.325059 Performance: 34.075 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:12:05,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484400 96880 89.884 -19062 9851.4 -28913 -28913 4.9385 4.0227 -2.3004 9.6982e+05 2024-05-19 15:12:37,839 INFO [main.py:798]
{rank 0/64} MD step = 484500 step time: 00:00:00.326253 Performance: 34.076 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:12:44,134 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 90.614 -19077 9931.4 -29008 -29008 4.9393 4.0239 -2.3002 9.6999e+05 2024-05-19 15:13:16,529 INFO [main.py:798]
{rank 0/64} MD step = 484600 step time: 00:00:00.325206 Performance: 34.078 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:13:23,130 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 89.611 -19123 9821.4 -28944 -28944 4.9407 4.0244 -2.299 9.7022e+05 2024-05-19 15:13:55,499 INFO [main.py:798]
{rank 0/64} MD step = 484700 step time: 00:00:00.326109 Performance: 34.080 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:14:02,605 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 90.057 -18872 9870.3 -28743 -28743 4.9408 4.0258 -2.2971 9.7045e+05 2024-05-19 15:14:35,012 INFO [main.py:798]
{rank 0/64} MD step = 484800 step time: 00:00:00.325759 Performance: 34.081 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:14:41,927 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 90.437 -18815 9912 -28727 -28727 4.9407 4.0268 -2.2954 9.706e+05 2024-05-19 15:15:14,287 INFO [main.py:798]
{rank 0/64} MD step = 484900 step time: 00:00:00.326613 Performance: 34.083 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:15:20,365 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 88.94 -19071 9747.9 -28819 -28819 4.942 4.0274 -2.2937 9.7077e+05 2024-05-19 15:15:53,324 INFO [main.py:798]
{rank 0/64} MD step = 485000 step time: 00:00:00.325581 Performance: 34.085 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-19 15:15:59,207 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 90.506 -18854 9919.6 -28773 -28773 4.9403 4.0266 -2.2925 9.7098e+05 2024-05-19 15:16:32,575 INFO [main.py:798]
{rank 0/64} MD step = 485100 step time: 00:00:00.326617 Performance: 34.086 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:16:37,163 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 89.368 -19147 9794.8 -28942 -28942 4.9418 4.0278 -2.2919 9.7113e+05 2024-05-19 15:17:11,021 INFO [main.py:798]
{rank 0/64} MD step = 485200 step time: 00:00:00.324730 Performance: 34.088 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:17:16,878 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 88.767 -19044 9728.9 -28773 -28773 4.9413 4.0296 -2.2922 9.7135e+05 2024-05-19 15:17:50,680 INFO [main.py:798]
{rank 0/64} MD step = 485300 step time: 00:00:00.325862 Performance: 34.089 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:17:57,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485300 97060 91.443 -18902 10022 -28924 -28924 4.9421 4.0307 -2.2914 9.715e+05 2024-05-19 15:18:29,750 INFO [main.py:798]
{rank 0/64} MD step = 485400 step time: 00:00:00.326563 Performance: 34.091 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:18:36,096 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 90.48 -18902 9916.7 -28819 -28819 4.9418 4.0313 -2.2917 9.7172e+05 2024-05-19 15:19:08,540 INFO [main.py:798]
{rank 0/64} MD step = 485500 step time: 00:00:00.326298 Performance: 34.093 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:19:14,310 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 90.93 -19138 9966.1 -29104 -29104 4.9425 4.0339 -2.2913 9.7186e+05 2024-05-19 15:19:48,062 INFO [main.py:798]
{rank 0/64} MD step = 485600 step time: 00:00:00.326098 Performance: 34.094 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:19:54,680 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 89.802 -19278 9842.4 -29120 -29120 4.9434 4.0346 -2.2901 9.7205e+05 2024-05-19 15:20:27,085 INFO [main.py:798]
{rank 0/64} MD step = 485700 step time: 00:00:00.326344 Performance: 34.096 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:20:32,337 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 92.068 -19056 10091 -29146 -29146 4.9454 4.0348 -2.2891 9.7222e+05 2024-05-19 15:21:04,893 INFO [main.py:798]
{rank 0/64} MD step = 485800 step time: 00:00:00.325571 Performance: 34.098 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:21:09,557 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 90.529 -19054 9922.1 -28977 -28977 4.9481 4.0358 -2.288 9.7242e+05 2024-05-19 15:21:43,230 INFO [main.py:798]
{rank 0/64} MD step = 485900 step time: 00:00:00.325699 Performance: 34.099 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:21:50,694 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 89.849 -19283 9847.6 -29130 -29130 4.9505 4.0372 -2.2873 9.7264e+05 2024-05-19 15:22:23,317 INFO [main.py:798]
{rank 0/64} MD step = 486000 step time: 00:00:00.325667 Performance: 34.101 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-19 15:22:27,279 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 88.95 -19290 9749.1 -29040 -29040 4.9522 4.0376 -2.2864 9.7285e+05 2024-05-19 15:23:00,652 INFO [main.py:798]
{rank 0/64} MD step = 486100 step time: 00:00:00.326159 Performance: 34.103 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:23:08,273 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 90.208 -18978 9886.9 -28865 -28865 4.9534 4.0385 -2.2869 9.7306e+05 2024-05-19 15:23:40,766 INFO [main.py:798]
{rank 0/64} MD step = 486200 step time: 00:00:00.325932 Performance: 34.104 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:23:47,331 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 89.89 -19133 9852.1 -28985 -28985 4.9545 4.039 -2.2871 9.7323e+05 2024-05-19 15:24:19,718 INFO [main.py:798]
{rank 0/64} MD step = 486300 step time: 00:00:00.326651 Performance: 34.106 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:24:26,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486300 97260 89.91 -19461 9854.2 -29315 -29315 4.9566 4.0393 -2.2869 9.734e+05 2024-05-19 15:24:59,127 INFO [main.py:798]
{rank 0/64} MD step = 486400 step time: 00:00:00.326687 Performance: 34.107 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:25:05,132 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 90.227 -19156 9889 -29045 -29045 4.958 4.0398 -2.2866 9.736e+05 2024-05-19 15:25:37,666 INFO [main.py:798]
{rank 0/64} MD step = 486500 step time: 00:00:00.327010 Performance: 34.109 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:25:45,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486500 97300 88.427 -19256 9691.8 -28948 -28948 4.9582 4.0409 -2.2852 9.7388e+05 2024-05-19 15:26:17,536 INFO [main.py:798]
{rank 0/64} MD step = 486600 step time: 00:00:00.325923 Performance: 34.110 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:26:22,839 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 89.051 -19096 9760.1 -28856 -28856 4.9592 4.0425 -2.2846 9.7412e+05 2024-05-19 15:26:56,297 INFO [main.py:798]
{rank 0/64} MD step = 486700 step time: 00:00:00.325634 Performance: 34.112 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:27:05,212 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 89.988 -19158 9862.8 -29021 -29021 4.9591 4.0435 -2.283 9.7427e+05 2024-05-19 15:27:37,966 INFO [main.py:798]
{rank 0/64} MD step = 486800 step time: 00:00:00.326797 Performance: 34.113 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:27:44,492 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 90.352 -19002 9902.7 -28904 -28904 4.9598 4.0435 -2.2802 9.7453e+05 2024-05-19 15:28:17,279 INFO [main.py:798]
{rank 0/64} MD step = 486900 step time: 00:00:00.326189 Performance: 34.115 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-19 15:28:24,303 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 88.59 -19047 9709.5 -28757 -28757 4.9618 4.0435 -2.28 9.7473e+05 2024-05-19 15:28:56,719 INFO [main.py:798]
{rank 0/64} MD step = 487000 step time: 00:00:00.339948 Performance: 34.116 ns/day 0.703 hours/ns 1.974 steps/s 2024-05-19 15:29:01,195 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 89.471 -19091 9806.1 -28897 -28897 4.9633 4.0455 -2.2795 9.7492e+05 2024-05-19 15:29:33,689 INFO [main.py:798]
{rank 0/64} MD step = 487100 step time: 00:00:00.325285 Performance: 34.118 ns/day 0.703 hours/ns 1.974 steps/s 2024-05-19 15:29:41,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487100 97420 88.825 -19229 9735.3 -28964 -28964 4.9634 4.0465 -2.2788 9.7514e+05 2024-05-19 15:30:13,782 INFO [main.py:798]
{rank 0/64} MD step = 487200 step time: 00:00:00.325038 Performance: 34.120 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:30:19,680 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 90.146 -18952 9880.1 -28832 -28832 4.9658 4.047 -2.2777 9.754e+05 2024-05-19 15:30:52,293 INFO [main.py:798]
{rank 0/64} MD step = 487300 step time: 00:00:00.326436 Performance: 34.121 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:31:01,778 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 89.964 -19144 9860.1 -29004 -29004 4.9674 4.0468 -2.2766 9.7553e+05 2024-05-19 15:31:34,269 INFO [main.py:798]
{rank 0/64} MD step = 487400 step time: 00:00:00.326494 Performance: 34.123 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:31:41,895 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 90.054 -18844 9870 -28714 -28714 4.9684 4.0509 -2.2738 9.7578e+05 2024-05-19 15:32:14,305 INFO [main.py:798]
{rank 0/64} MD step = 487500 step time: 00:00:00.326008 Performance: 34.124 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:32:20,787 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 90.308 -18842 9897.9 -28740 -28740 4.9689 4.0539 -2.273 9.7594e+05 2024-05-19 15:32:53,262 INFO [main.py:798]
{rank 0/64} MD step = 487600 step time: 00:00:00.328241 Performance: 34.126 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:32:59,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487600 97520 91.526 -19018 10031 -29050 -29050 4.9698 4.0548 -2.2727 9.7615e+05 2024-05-19 15:33:31,793 INFO [main.py:798]
{rank 0/64} MD step = 487700 step time: 00:00:00.325509 Performance: 34.127 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:33:37,782 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 90.135 -18859 9879 -28738 -28738 4.9727 4.0541 -2.2712 9.7637e+05 2024-05-19 15:34:10,943 INFO [main.py:798]
{rank 0/64} MD step = 487800 step time: 00:00:00.326762 Performance: 34.129 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:34:16,810 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 90.172 -18875 9883 -28758 -28758 4.9729 4.0531 -2.2701 9.7655e+05 2024-05-19 15:34:49,211 INFO [main.py:798]
{rank 0/64} MD step = 487900 step time: 00:00:00.326504 Performance: 34.131 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:34:55,371 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 88.539 -18914 9703.9 -28618 -28618 4.9725 4.0543 -2.2671 9.7675e+05 2024-05-19 15:35:27,827 INFO [main.py:798]
{rank 0/64} MD step = 488000 step time: 00:00:00.326526 Performance: 34.132 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:35:34,928 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 90.191 -18836 9885.1 -28721 -28721 4.9733 4.0554 -2.2672 9.7696e+05 2024-05-19 15:36:07,930 INFO [main.py:798]
{rank 0/64} MD step = 488100 step time: 00:00:00.325552 Performance: 34.134 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:36:13,355 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 90.662 -18705 9936.7 -28641 -28641 4.9749 4.056 -2.2674 9.7714e+05 2024-05-19 15:36:47,173 INFO [main.py:798]
{rank 0/64} MD step = 488200 step time: 00:00:00.326206 Performance: 34.135 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-19 15:36:52,381 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 91.819 -18765 10063 -28828 -28828 4.9751 4.0569 -2.2657 9.773e+05 2024-05-19 15:37:25,452 INFO [main.py:798]
{rank 0/64} MD step = 488300 step time: 00:00:00.326152 Performance: 34.137 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:37:31,303 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 88.823 -18965 9735.1 -28700 -28700 4.9757 4.0574 -2.2666 9.7751e+05 2024-05-19 15:38:05,287 INFO [main.py:798]
{rank 0/64} MD step = 488400 step time: 00:00:00.326801 Performance: 34.139 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:38:10,721 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 89.355 -18848 9793.5 -28641 -28641 4.9766 4.0561 -2.2635 9.7775e+05 2024-05-19 15:38:43,225 INFO [main.py:798]
{rank 0/64} MD step = 488500 step time: 00:00:00.327376 Performance: 34.140 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:38:49,632 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 88.48 -19187 9697.6 -28885 -28885 4.9769 4.0592 -2.2634 9.7796e+05 2024-05-19 15:39:22,026 INFO [main.py:798]
{rank 0/64} MD step = 488600 step time: 00:00:00.326328 Performance: 34.142 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:39:28,326 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 89.332 -19014 9790.9 -28805 -28805 4.9781 4.0615 -2.2623 9.7814e+05 2024-05-19 15:40:00,841 INFO [main.py:798]
{rank 0/64} MD step = 488700 step time: 00:00:00.325589 Performance: 34.144 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:40:12,319 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 88.861 -19144 9739.3 -28883 -28883 4.9785 4.0623 -2.2614 9.7834e+05 2024-05-19 15:40:47,220 INFO [main.py:798]
{rank 0/64} MD step = 488800 step time: 00:00:00.325935 Performance: 34.144 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:40:54,017 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 90.492 -18816 9918 -28734 -28734 4.9793 4.063 -2.2612 9.7856e+05 2024-05-19 15:41:26,441 INFO [main.py:798]
{rank 0/64} MD step = 488900 step time: 00:00:00.326259 Performance: 34.146 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:41:32,497 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 90.057 -19104 9870.3 -28974 -28974 4.98 4.0633 -2.2612 9.7873e+05 2024-05-19 15:42:05,011 INFO [main.py:798]
{rank 0/64} MD step = 489000 step time: 00:00:00.326003 Performance: 34.147 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:42:10,896 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 90.624 -18925 9932.5 -28858 -28858 4.9811 4.0667 -2.2613 9.7894e+05 2024-05-19 15:42:43,386 INFO [main.py:798]
{rank 0/64} MD step = 489100 step time: 00:00:00.325206 Performance: 34.149 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:42:52,346 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 90.142 -18820 9879.7 -28700 -28700 4.982 4.0678 -2.2605 9.7923e+05 2024-05-19 15:43:25,167 INFO [main.py:798]
{rank 0/64} MD step = 489200 step time: 00:00:00.327612 Performance: 34.150 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:43:30,764 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 90.126 -19187 9877.9 -29065 -29065 4.9843 4.0674 -2.2601 9.7939e+05 2024-05-19 15:44:03,233 INFO [main.py:798]
{rank 0/64} MD step = 489300 step time: 00:00:00.326131 Performance: 34.152 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:44:10,344 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 89.281 -19381 9785.3 -29166 -29166 4.9855 4.0676 -2.2578 9.7959e+05 2024-05-19 15:44:42,761 INFO [main.py:798]
{rank 0/64} MD step = 489400 step time: 00:00:00.326301 Performance: 34.154 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-19 15:44:48,637 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 90.46 -18838 9914.5 -28753 -28753 4.9866 4.0677 -2.2571 9.798e+05 2024-05-19 15:45:21,159 INFO [main.py:798]
{rank 0/64} MD step = 489500 step time: 00:00:00.327943 Performance: 34.155 ns/day 0.703 hours/ns 1.977 steps/s 2024-05-19 15:45:27,405 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 90.063 -18883 9871 -28754 -28754 4.9877 4.0684 -2.2568 9.8e+05 2024-05-19 15:45:59,877 INFO [main.py:798]
{rank 0/64} MD step = 489600 step time: 00:00:00.327335 Performance: 34.157 ns/day 0.703 hours/ns 1.977 steps/s 2024-05-19 15:46:05,415 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 89.517 -19024 9811.1 -28835 -28835 4.9876 4.0684 -2.2559 9.8018e+05 2024-05-19 15:46:38,050 INFO [main.py:798]
{rank 0/64} MD step = 489700 step time: 00:00:00.325852 Performance: 34.159 ns/day 0.703 hours/ns 1.977 steps/s 2024-05-19 15:46:47,465 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 88.688 -19104 9720.3 -28824 -28824 4.9894 4.069 -2.2546 9.8039e+05 2024-05-19 15:47:20,321 INFO [main.py:798]
{rank 0/64} MD step = 489800 step time: 00:00:00.325984 Performance: 34.160 ns/day 0.703 hours/ns 1.977 steps/s 2024-05-19 15:47:26,480 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 90.02 -18937 9866.3 -28803 -28803 4.989 4.0684 -2.2529 9.8061e+05 2024-05-19 15:47:58,844 INFO [main.py:798]
{rank 0/64} MD step = 489900 step time: 00:00:00.330138 Performance: 34.161 ns/day 0.703 hours/ns 1.977 steps/s 2024-05-19 15:48:06,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489900 97980 90.911 -18921 9964 -28885 -28885 4.9902 4.0703 -2.2528 9.8078e+05 2024-05-19 15:48:39,043 INFO [main.py:798]
{rank 0/64} MD step = 490000 step time: 00:00:00.326644 Performance: 34.163 ns/day 0.703 hours/ns 1.977 steps/s 2024-05-19 15:48:45,168 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 89.28 -19112 9785.2 -28898 -28898 4.991 4.0708 -2.2496 9.8097e+05 2024-05-19 15:49:17,850 INFO [main.py:798]
{rank 0/64} MD step = 490100 step time: 00:00:00.325842 Performance: 34.164 ns/day 0.702 hours/ns 1.977 steps/s 2024-05-19 15:49:24,347 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 89.646 -18918 9825.3 -28743 -28743 4.9914 4.0715 -2.2471 9.8117e+05 2024-05-19 15:49:56,873 INFO [main.py:798]
{rank 0/64} MD step = 490200 step time: 00:00:00.337115 Performance: 34.166 ns/day 0.702 hours/ns 1.977 steps/s 2024-05-19 15:50:11,516 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 90.31 -18827 9898.1 -28725 -28725 4.9914 4.0729 -2.2479 9.8139e+05 2024-05-19 15:50:44,713 INFO [main.py:798]
{rank 0/64} MD step = 490300 step time: 00:00:00.327836 Performance: 34.166 ns/day 0.702 hours/ns 1.977 steps/s 2024-05-19 15:50:51,100 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 90.432 -18686 9911.4 -28597 -28597 4.992 4.0735 -2.2494 9.8165e+05 2024-05-19 15:51:23,564 INFO [main.py:798]
{rank 0/64} MD step = 490400 step time: 00:00:00.326742 Performance: 34.168 ns/day 0.702 hours/ns 1.977 steps/s 2024-05-19 15:51:30,023 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 89.2 -19070 9776.4 -28846 -28846 4.9923 4.0713 -2.248 9.8183e+05 2024-05-19 15:52:02,420 INFO [main.py:798]
{rank 0/64} MD step = 490500 step time: 00:00:00.325755 Performance: 34.170 ns/day 0.702 hours/ns 1.977 steps/s 2024-05-19 15:52:08,709 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 89.96 -18958 9859.8 -28818 -28818 4.9953 4.0735 -2.2483 9.8202e+05 2024-05-19 15:52:41,162 INFO [main.py:798]
{rank 0/64} MD step = 490600 step time: 00:00:00.326866 Performance: 34.171 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:52:47,120 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 89.929 -18930 9856.3 -28786 -28786 4.9963 4.0742 -2.2482 9.822e+05 2024-05-19 15:53:19,486 INFO [main.py:798]
{rank 0/64} MD step = 490700 step time: 00:00:00.326254 Performance: 34.173 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:53:25,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490700 98140 90.894 -18887 9962.1 -28849 -28849 4.9974 4.0745 -2.2482 9.824e+05 2024-05-19 15:53:57,828 INFO [main.py:798]
{rank 0/64} MD step = 490800 step time: 00:00:00.324606 Performance: 34.175 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:54:05,270 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 90.323 -18850 9899.5 -28750 -28750 4.9982 4.0757 -2.2467 9.826e+05 2024-05-19 15:54:37,702 INFO [main.py:798]
{rank 0/64} MD step = 490900 step time: 00:00:00.326283 Performance: 34.176 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:54:43,906 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 90.841 -18590 9956.3 -28546 -28546 4.9988 4.0755 -2.2454 9.8282e+05 2024-05-19 15:55:16,266 INFO [main.py:798]
{rank 0/64} MD step = 491000 step time: 00:00:00.326629 Performance: 34.178 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:55:21,771 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 88.749 -19164 9727 -28891 -28891 4.9998 4.0773 -2.2448 9.8297e+05 2024-05-19 15:55:54,206 INFO [main.py:798]
{rank 0/64} MD step = 491100 step time: 00:00:00.325964 Performance: 34.179 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:56:00,709 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 90.539 -19048 9923.2 -28971 -28971 5.0006 4.0779 -2.2429 9.8316e+05 2024-05-19 15:56:33,096 INFO [main.py:798]
{rank 0/64} MD step = 491200 step time: 00:00:00.327662 Performance: 34.181 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:56:41,727 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 90.833 -18688 9955.4 -28643 -28643 5.0007 4.0773 -2.2431 9.834e+05 2024-05-19 15:57:14,204 INFO [main.py:798]
{rank 0/64} MD step = 491300 step time: 00:00:00.325875 Performance: 34.182 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:57:19,263 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 90.088 -19037 9873.8 -28911 -28911 5.0015 4.0778 -2.2432 9.8356e+05 2024-05-19 15:57:52,764 INFO [main.py:798]
{rank 0/64} MD step = 491400 step time: 00:00:00.325820 Performance: 34.184 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:57:58,441 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 89.853 -18973 9848 -28821 -28821 5.0032 4.0778 -2.2425 9.8378e+05 2024-05-19 15:58:30,857 INFO [main.py:798]
{rank 0/64} MD step = 491500 step time: 00:00:00.326330 Performance: 34.186 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:58:37,535 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 90.838 -18821 9955.9 -28777 -28777 5.0033 4.0799 -2.2406 9.8401e+05 2024-05-19 15:59:10,499 INFO [main.py:798]
{rank 0/64} MD step = 491600 step time: 00:00:00.345247 Performance: 34.187 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-19 15:59:18,785 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 90.715 -18671 9942.5 -28613 -28613 5.0038 4.0805 -2.2397 9.8423e+05 2024-05-19 15:59:51,394 INFO [main.py:798]
{rank 0/64} MD step = 491700 step time: 00:00:00.326612 Performance: 34.189 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 15:59:58,432 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 89.852 -19045 9847.8 -28893 -28893 5.0039 4.0814 -2.239 9.8438e+05 2024-05-19 16:00:31,772 INFO [main.py:798]
{rank 0/64} MD step = 491800 step time: 00:00:00.327398 Performance: 34.190 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:00:35,450 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 90.47 -18966 9915.6 -28882 -28882 5.0043 4.0834 -2.2391 9.8462e+05 2024-05-19 16:01:08,069 INFO [main.py:798]
{rank 0/64} MD step = 491900 step time: 00:00:00.325932 Performance: 34.192 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:01:13,575 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 90.006 -18990 9864.8 -28855 -28855 5.0054 4.0833 -2.2384 9.848e+05 2024-05-19 16:01:47,220 INFO [main.py:798]
{rank 0/64} MD step = 492000 step time: 00:00:00.326935 Performance: 34.194 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:01:53,563 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 89.959 -19002 9859.6 -28862 -28862 5.006 4.0818 -2.2381 9.85e+05 2024-05-19 16:02:26,202 INFO [main.py:798]
{rank 0/64} MD step = 492100 step time: 00:00:00.326725 Performance: 34.195 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:02:32,772 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 90.225 -18975 9888.8 -28863 -28863 5.0083 4.0831 -2.2366 9.8518e+05 2024-05-19 16:03:05,405 INFO [main.py:798]
{rank 0/64} MD step = 492200 step time: 00:00:00.326189 Performance: 34.197 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:03:11,174 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 91.521 -18925 10031 -28956 -28956 5.0091 4.0835 -2.2354 9.8534e+05 2024-05-19 16:03:43,793 INFO [main.py:798]
{rank 0/64} MD step = 492300 step time: 00:00:00.327676 Performance: 34.198 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:03:53,326 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 89.904 -19063 9853.5 -28916 -28916 5.0086 4.0836 -2.2337 9.856e+05 2024-05-19 16:04:25,996 INFO [main.py:798]
{rank 0/64} MD step = 492400 step time: 00:00:00.326158 Performance: 34.199 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:04:32,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492400 98480 92.216 -18727 10107 -28834 -28834 5.0087 4.0841 -2.2332 9.858e+05 2024-05-19 16:05:05,127 INFO [main.py:798]
{rank 0/64} MD step = 492500 step time: 00:00:00.326085 Performance: 34.201 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:05:10,982 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 90.029 -18919 9867.3 -28787 -28787 5.0088 4.0872 -2.2321 9.8601e+05 2024-05-19 16:05:43,870 INFO [main.py:798]
{rank 0/64} MD step = 492600 step time: 00:00:00.326451 Performance: 34.203 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:05:50,197 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 89.911 -19108 9854.4 -28963 -28963 5.0101 4.0878 -2.2312 9.8615e+05 2024-05-19 16:06:22,629 INFO [main.py:798]
{rank 0/64} MD step = 492700 step time: 00:00:00.325716 Performance: 34.204 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-19 16:06:28,036 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 90.654 -19080 9935.8 -29016 -29016 5.0109 4.0894 -2.2292 9.8639e+05 2024-05-19 16:07:00,545 INFO [main.py:798]
{rank 0/64} MD step = 492800 step time: 00:00:00.327295 Performance: 34.206 ns/day 0.702 hours/ns 1.980 steps/s 2024-05-19 16:07:06,187 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 89.326 -19165 9790.2 -28955 -28955 5.01 4.0893 -2.2294 9.8663e+05 2024-05-19 16:07:38,722 INFO [main.py:798]
{rank 0/64} MD step = 492900 step time: 00:00:00.325368 Performance: 34.208 ns/day 0.702 hours/ns 1.980 steps/s 2024-05-19 16:07:44,503 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 90.192 -19313 9885.1 -29198 -29198 5.0094 4.0896 -2.2283 9.8674e+05 2024-05-19 16:08:18,371 INFO [main.py:798]
{rank 0/64} MD step = 493000 step time: 00:00:00.325816 Performance: 34.209 ns/day 0.702 hours/ns 1.980 steps/s 2024-05-19 16:08:24,646 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 91.371 -19035 10014 -29050 -29050 5.0093 4.0906 -2.2277 9.8697e+05 2024-05-19 16:08:57,671 INFO [main.py:798]
{rank 0/64} MD step = 493100 step time: 00:00:00.326323 Performance: 34.211 ns/day 0.702 hours/ns 1.980 steps/s 2024-05-19 16:09:04,046 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 89.609 -19065 9821.3 -28886 -28886 5.0099 4.0916 -2.227 9.8719e+05 2024-05-19 16:09:36,602 INFO [main.py:798]
{rank 0/64} MD step = 493200 step time: 00:00:00.326185 Performance: 34.212 ns/day 0.702 hours/ns 1.980 steps/s 2024-05-19 16:09:42,667 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 88.469 -19265 9696.3 -28961 -28961 5.0107 4.0934 -2.2275 9.8737e+05 2024-05-19 16:10:16,679 INFO [main.py:798]
{rank 0/64} MD step = 493300 step time: 00:00:00.334160 Performance: 34.214 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-19 16:10:22,956 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 88.614 -19330 9712.2 -29042 -29042 5.0114 4.0943 -2.2261 9.876e+05 2024-05-19 16:10:55,695 INFO [main.py:798]
{rank 0/64} MD step = 493400 step time: 00:00:00.326775 Performance: 34.215 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-19 16:11:01,398 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 89.444 -19190 9803.2 -28993 -28993 5.0109 4.0944 -2.2255 9.8778e+05 2024-05-19 16:11:34,095 INFO [main.py:798]
{rank 0/64} MD step = 493500 step time: 00:00:00.326557 Performance: 34.217 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-19 16:11:40,464 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 90.084 -18803 9873.3 -28676 -28676 5.0106 4.0945 -2.2245 9.88e+05 2024-05-19 16:12:14,719 INFO [main.py:798]
{rank 0/64} MD step = 493600 step time: 00:00:00.326080 Performance: 34.218 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-19 16:12:21,875 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 89.357 -18851 9793.7 -28645 -28645 5.0121 4.0947 -2.2225 9.8819e+05 2024-05-19 16:12:54,283 INFO [main.py:798]
{rank 0/64} MD step = 493700 step time: 00:00:00.327132 Performance: 34.220 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-19 16:13:02,301 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 90.821 -18902 9954.1 -28856 -28856 5.0121 4.0948 -2.2225 9.8839e+05 2024-05-19 16:13:35,333 INFO [main.py:798]
{rank 0/64} MD step = 493800 step time: 00:00:00.326272 Performance: 34.221 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-19 16:13:41,819 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 90.108 -19039 9875.9 -28915 -28915 5.0127 4.0946 -2.2199 9.8859e+05 2024-05-19 16:14:14,209 INFO [main.py:798]
{rank 0/64} MD step = 493900 step time: 00:00:00.327703 Performance: 34.223 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-19 16:14:19,956 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 88.937 -19059 9747.6 -28807 -28807 5.0122 4.096 -2.2193 9.8882e+05 2024-05-19 16:14:53,780 INFO [main.py:798]
{rank 0/64} MD step = 494000 step time: 00:00:00.325921 Performance: 34.224 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:15:00,303 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 90.739 -18831 9945.1 -28776 -28776 5.0122 4.0964 -2.2181 9.8902e+05 2024-05-19 16:15:32,748 INFO [main.py:798]
{rank 0/64} MD step = 494100 step time: 00:00:00.326448 Performance: 34.226 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:15:40,056 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 89.406 -19024 9799 -28823 -28823 5.0108 4.096 -2.2181 9.8923e+05 2024-05-19 16:16:12,447 INFO [main.py:798]
{rank 0/64} MD step = 494200 step time: 00:00:00.326618 Performance: 34.227 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:16:20,142 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 89.845 -19155 9847.2 -29003 -29003 5.0112 4.0966 -2.2181 9.8945e+05 2024-05-19 16:16:52,538 INFO [main.py:798]
{rank 0/64} MD step = 494300 step time: 00:00:00.326010 Performance: 34.229 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:17:00,218 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 89.12 -19063 9767.7 -28831 -28831 5.0139 4.0986 -2.2169 9.8968e+05 2024-05-19 16:17:32,636 INFO [main.py:798]
{rank 0/64} MD step = 494400 step time: 00:00:00.326333 Performance: 34.230 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:17:36,822 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 89.637 -19033 9824.3 -28858 -28858 5.0139 4.0999 -2.2159 9.8986e+05 2024-05-19 16:18:11,730 INFO [main.py:798]
{rank 0/64} MD step = 494500 step time: 00:00:00.329255 Performance: 34.232 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:18:17,947 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 89.817 -19237 9844.1 -29081 -29081 5.0131 4.1002 -2.2143 9.8999e+05 2024-05-19 16:18:50,397 INFO [main.py:798]
{rank 0/64} MD step = 494600 step time: 00:00:00.325329 Performance: 34.233 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:18:57,315 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 89.857 -19318 9848.4 -29167 -29167 5.0129 4.1003 -2.2156 9.9018e+05 2024-05-19 16:19:29,986 INFO [main.py:798]
{rank 0/64} MD step = 494700 step time: 00:00:00.326797 Performance: 34.235 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:19:35,446 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 91.122 -19108 9987.1 -29095 -29095 5.0126 4.1023 -2.2157 9.9039e+05 2024-05-19 16:20:08,100 INFO [main.py:798]
{rank 0/64} MD step = 494800 step time: 00:00:00.327406 Performance: 34.237 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:20:14,469 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 90.124 -19129 9877.7 -29007 -29007 5.0147 4.1039 -2.2153 9.906e+05 2024-05-19 16:20:48,162 INFO [main.py:798]
{rank 0/64} MD step = 494900 step time: 00:00:00.326933 Performance: 34.238 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:20:53,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494900 98980 89.784 -19238 9840.4 -29078 -29078 5.0147 4.1037 -2.2146 9.9078e+05 2024-05-19 16:21:27,294 INFO [main.py:798]
{rank 0/64} MD step = 495000 step time: 00:00:00.326483 Performance: 34.239 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-19 16:21:32,762 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 91.233 -19123 9999.2 -29122 -29122 5.0139 4.1036 -2.215 9.9097e+05 2024-05-19 16:22:06,059 INFO [main.py:798]
{rank 0/64} MD step = 495100 step time: 00:00:00.326519 Performance: 34.241 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:22:10,537 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 90.116 -19178 9876.8 -29054 -29054 5.0136 4.1038 -2.2151 9.9116e+05 2024-05-19 16:22:44,558 INFO [main.py:798]
{rank 0/64} MD step = 495200 step time: 00:00:00.325875 Performance: 34.243 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:22:49,949 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 92.101 -18976 10094 -29070 -29070 5.0138 4.1049 -2.2158 9.9134e+05 2024-05-19 16:23:22,409 INFO [main.py:798]
{rank 0/64} MD step = 495300 step time: 00:00:00.325813 Performance: 34.244 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:23:27,596 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 88.964 -19340 9750.6 -29091 -29091 5.0148 4.1049 -2.215 9.915e+05 2024-05-19 16:24:01,292 INFO [main.py:798]
{rank 0/64} MD step = 495400 step time: 00:00:00.325876 Performance: 34.246 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:24:07,505 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 90.581 -19248 9927.8 -29176 -29176 5.0145 4.1049 -2.214 9.9172e+05 2024-05-19 16:24:40,020 INFO [main.py:798]
{rank 0/64} MD step = 495500 step time: 00:00:00.326126 Performance: 34.248 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:24:47,223 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 89.167 -19593 9772.8 -29366 -29366 5.0162 4.1063 -2.2137 9.919e+05 2024-05-19 16:25:20,099 INFO [main.py:798]
{rank 0/64} MD step = 495600 step time: 00:00:00.325881 Performance: 34.249 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:25:26,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495600 99120 90.262 -19326 9892.8 -29219 -29219 5.0179 4.1075 -2.2139 9.9209e+05 2024-05-19 16:25:58,998 INFO [main.py:798]
{rank 0/64} MD step = 495700 step time: 00:00:00.326499 Performance: 34.251 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:26:05,821 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 89.332 -19536 9790.9 -29327 -29327 5.0165 4.1066 -2.2146 9.9228e+05 2024-05-19 16:26:38,197 INFO [main.py:798]
{rank 0/64} MD step = 495800 step time: 00:00:00.325830 Performance: 34.252 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:26:44,095 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 90.482 -19427 9917 -29344 -29344 5.0174 4.1064 -2.2136 9.9244e+05 2024-05-19 16:27:16,430 INFO [main.py:798]
{rank 0/64} MD step = 495900 step time: 00:00:00.325738 Performance: 34.254 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:27:22,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495900 99180 90.147 -19469 9880.2 -29349 -29349 5.0188 4.1073 -2.2155 9.9267e+05 2024-05-19 16:27:55,576 INFO [main.py:798]
{rank 0/64} MD step = 496000 step time: 00:00:00.326078 Performance: 34.255 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:28:02,554 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 89.422 -19372 9800.8 -29173 -29173 5.019 4.1078 -2.214 9.9288e+05 2024-05-19 16:28:34,990 INFO [main.py:798]
{rank 0/64} MD step = 496100 step time: 00:00:00.341463 Performance: 34.257 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-19 16:28:42,359 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 89.456 -19566 9804.5 -29370 -29370 5.0181 4.1077 -2.2128 9.9305e+05 2024-05-19 16:29:14,750 INFO [main.py:798]
{rank 0/64} MD step = 496200 step time: 00:00:00.325842 Performance: 34.258 ns/day 0.701 hours/ns 1.983 steps/s 2024-05-19 16:29:21,127 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 90.775 -19058 9949 -29007 -29007 5.017 4.108 -2.2108 9.9329e+05 2024-05-19 16:29:53,478 INFO [main.py:798]
{rank 0/64} MD step = 496300 step time: 00:00:00.326527 Performance: 34.260 ns/day 0.701 hours/ns 1.983 steps/s 2024-05-19 16:30:01,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496300 99260 87.806 -19548 9623.7 -29172 -29172 5.0186 4.1099 -2.2129 9.9346e+05 2024-05-19 16:30:34,492 INFO [main.py:798]
{rank 0/64} MD step = 496400 step time: 00:00:00.346380 Performance: 34.261 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:30:38,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496400 99280 89.248 -19305 9781.7 -29086 -29086 5.0186 4.1098 -2.2118 9.9365e+05 2024-05-19 16:31:12,422 INFO [main.py:798]
{rank 0/64} MD step = 496500 step time: 00:00:00.325845 Performance: 34.263 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:31:19,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496500 99300 90.763 -19185 9947.8 -29133 -29133 5.0185 4.1105 -2.2112 9.9384e+05 2024-05-19 16:31:51,816 INFO [main.py:798]
{rank 0/64} MD step = 496600 step time: 00:00:00.325595 Performance: 34.265 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:31:57,250 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 90.56 -19082 9925.4 -29007 -29007 5.0195 4.1083 -2.2114 9.9405e+05 2024-05-19 16:32:29,792 INFO [main.py:798]
{rank 0/64} MD step = 496700 step time: 00:00:00.327333 Performance: 34.266 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:32:35,737 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 89.377 -19271 9795.8 -29067 -29067 5.0203 4.1105 -2.2089 9.9422e+05 2024-05-19 16:33:09,665 INFO [main.py:798]
{rank 0/64} MD step = 496800 step time: 00:00:00.325392 Performance: 34.268 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:33:17,183 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 89.058 -19459 9760.8 -29220 -29220 5.0214 4.1111 -2.2058 9.9443e+05 2024-05-19 16:33:49,826 INFO [main.py:798]
{rank 0/64} MD step = 496900 step time: 00:00:00.326763 Performance: 34.269 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:33:56,038 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 90.056 -19178 9870.3 -29048 -29048 5.0223 4.1111 -2.2043 9.9466e+05 2024-05-19 16:34:28,537 INFO [main.py:798]
{rank 0/64} MD step = 497000 step time: 00:00:00.326756 Performance: 34.271 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:34:33,803 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 90.047 -19400 9869.3 -29269 -29269 5.0209 4.1106 -2.2052 9.9478e+05 2024-05-19 16:35:06,804 INFO [main.py:798]
{rank 0/64} MD step = 497100 step time: 00:00:00.338798 Performance: 34.272 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:35:13,040 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 88.641 -19515 9715.2 -29230 -29230 5.0229 4.1122 -2.2061 9.9503e+05 2024-05-19 16:35:45,956 INFO [main.py:798]
{rank 0/64} MD step = 497200 step time: 00:00:00.325816 Performance: 34.274 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-19 16:35:52,621 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 90.612 -19278 9931.2 -29210 -29210 5.0226 4.1139 -2.2049 9.9519e+05 2024-05-19 16:36:25,116 INFO [main.py:798]
{rank 0/64} MD step = 497300 step time: 00:00:00.326212 Performance: 34.275 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:36:31,703 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 90.618 -19386 9931.9 -29318 -29318 5.0214 4.114 -2.2067 9.9535e+05 2024-05-19 16:37:04,251 INFO [main.py:798]
{rank 0/64} MD step = 497400 step time: 00:00:00.326901 Performance: 34.277 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:37:10,422 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 89.935 -19160 9857 -29017 -29017 5.0214 4.1153 -2.2082 9.956e+05 2024-05-19 16:37:43,302 INFO [main.py:798]
{rank 0/64} MD step = 497500 step time: 00:00:00.325355 Performance: 34.278 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:37:49,487 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 91.97 -19156 10080 -29236 -29236 5.0222 4.1158 -2.2082 9.9579e+05 2024-05-19 16:38:21,827 INFO [main.py:798]
{rank 0/64} MD step = 497600 step time: 00:00:00.325507 Performance: 34.280 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:38:26,828 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 89.71 -19256 9832.4 -29088 -29088 5.0225 4.1158 -2.2076 9.9598e+05 2024-05-19 16:39:00,706 INFO [main.py:798]
{rank 0/64} MD step = 497700 step time: 00:00:00.326007 Performance: 34.282 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:39:09,291 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 89.346 -19471 9792.5 -29264 -29264 5.0236 4.1163 -2.2064 9.9617e+05 2024-05-19 16:39:42,503 INFO [main.py:798]
{rank 0/64} MD step = 497800 step time: 00:00:00.326919 Performance: 34.283 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:39:49,845 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 90.999 -19247 9973.6 -29220 -29220 5.026 4.1174 -2.2048 9.9639e+05 2024-05-19 16:40:22,594 INFO [main.py:798]
{rank 0/64} MD step = 497900 step time: 00:00:00.326591 Performance: 34.284 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:40:27,993 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 92.26 -18908 10112 -29020 -29020 5.0279 4.1194 -2.205 9.9658e+05 2024-05-19 16:41:01,289 INFO [main.py:798]
{rank 0/64} MD step = 498000 step time: 00:00:00.348835 Performance: 34.286 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:41:05,701 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 90.78 -19086 9949.6 -29036 -29036 5.0278 4.1202 -2.2033 9.9675e+05 2024-05-19 16:41:39,639 INFO [main.py:798]
{rank 0/64} MD step = 498100 step time: 00:00:00.327814 Performance: 34.288 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:41:45,556 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 90.762 -19276 9947.6 -29224 -29224 5.0274 4.1214 -2.2017 9.9693e+05 2024-05-19 16:42:18,360 INFO [main.py:798]
{rank 0/64} MD step = 498200 step time: 00:00:00.327039 Performance: 34.289 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:42:24,842 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 90.322 -19396 9899.4 -29295 -29295 5.0277 4.122 -2.2001 9.971e+05 2024-05-19 16:42:57,227 INFO [main.py:798]
{rank 0/64} MD step = 498300 step time: 00:00:00.324716 Performance: 34.291 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-19 16:43:02,819 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 89.715 -19370 9832.9 -29203 -29203 5.0275 4.1218 -2.2001 9.9733e+05 2024-05-19 16:43:36,533 INFO [main.py:798]
{rank 0/64} MD step = 498400 step time: 00:00:00.326869 Performance: 34.292 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:43:43,319 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 90.024 -19388 9866.7 -29255 -29255 5.0261 4.1236 -2.2006 9.9754e+05 2024-05-19 16:44:16,138 INFO [main.py:798]
{rank 0/64} MD step = 498500 step time: 00:00:00.326205 Performance: 34.294 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:44:23,274 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 88.969 -19538 9751.1 -29289 -29289 5.026 4.1249 -2.2002 9.9777e+05 2024-05-19 16:44:55,643 INFO [main.py:798]
{rank 0/64} MD step = 498600 step time: 00:00:00.326917 Performance: 34.295 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:45:02,647 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 90.072 -19225 9872 -29097 -29097 5.0272 4.1254 -2.1984 9.9798e+05 2024-05-19 16:45:35,122 INFO [main.py:798]
{rank 0/64} MD step = 498700 step time: 00:00:00.325152 Performance: 34.297 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:45:41,260 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 90.606 -19369 9930.5 -29300 -29300 5.0281 4.1259 -2.1979 9.9816e+05 2024-05-19 16:46:13,806 INFO [main.py:798]
{rank 0/64} MD step = 498800 step time: 00:00:00.326707 Performance: 34.298 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:46:19,678 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 90.322 -19395 9899.4 -29294 -29294 5.0272 4.127 -2.1976 9.9834e+05 2024-05-19 16:46:52,449 INFO [main.py:798]
{rank 0/64} MD step = 498900 step time: 00:00:00.326294 Performance: 34.300 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:46:59,257 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 90.01 -19256 9865.2 -29121 -29121 5.0276 4.1279 -2.1971 9.9862e+05 2024-05-19 16:47:31,618 INFO [main.py:798]
{rank 0/64} MD step = 499000 step time: 00:00:00.325836 Performance: 34.301 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:47:37,994 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 89.329 -19329 9790.5 -29120 -29120 5.0275 4.1302 -2.1958 9.988e+05 2024-05-19 16:48:10,385 INFO [main.py:798]
{rank 0/64} MD step = 499100 step time: 00:00:00.326051 Performance: 34.303 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:48:16,868 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 89.493 -19191 9808.5 -29000 -29000 5.0278 4.1315 -2.1941 9.9902e+05 2024-05-19 16:48:49,496 INFO [main.py:798]
{rank 0/64} MD step = 499200 step time: 00:00:00.326122 Performance: 34.305 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:48:57,703 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 90.267 -18947 9893.4 -28841 -28841 5.0276 4.1312 -2.192 9.9928e+05 2024-05-19 16:49:30,368 INFO [main.py:798]
{rank 0/64} MD step = 499300 step time: 00:00:00.326889 Performance: 34.306 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:49:38,765 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 89.897 -19302 9852.8 -29154 -29154 5.0264 4.1323 -2.1914 9.9943e+05 2024-05-19 16:50:11,400 INFO [main.py:798]
{rank 0/64} MD step = 499400 step time: 00:00:00.326522 Performance: 34.307 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:50:17,012 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 90.879 -18995 9960.5 -28956 -28956 5.0265 4.1328 -2.1931 9.9961e+05 2024-05-19 16:50:52,308 INFO [main.py:798]
{rank 0/64} MD step = 499500 step time: 00:00:00.327348 Performance: 34.308 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-19 16:51:01,511 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 89.681 -19243 9829.2 -29073 -29073 5.0277 4.1346 -2.1936 9.9979e+05 2024-05-19 16:51:34,220 INFO [main.py:798]
{rank 0/64} MD step = 499600 step time: 00:00:00.357688 Performance: 34.310 ns/day 0.700 hours/ns 1.986 steps/s 2024-05-19 16:51:38,440 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 89.351 -19151 9793 -28944 -28944 5.0294 4.1342 -2.1924 1e+06 2024-05-19 16:52:12,322 INFO [main.py:798]
{rank 0/64} MD step = 499700 step time: 00:00:00.325909 Performance: 34.311 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-19 16:52:19,654 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 89.498 -19217 9809.1 -29026 -29026 5.0309 4.1345 -2.1892 1.0002e+06 2024-05-19 16:52:52,155 INFO [main.py:798]
{rank 0/64} MD step = 499800 step time: 00:00:00.326090 Performance: 34.313 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-19 16:52:57,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499800 99960 90.313 -19137 9898.4 -29035 -29035 5.0314 4.135 -2.1875 1.0004e+06 2024-05-19 16:53:30,094 INFO [main.py:798]
{rank 0/64} MD step = 499900 step time: 00:00:00.326812 Performance: 34.314 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-19 16:53:37,906 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 89.151 -19220 9771 -28991 -28991 5.0329 4.1351 -2.1857 1.0006e+06 2024-05-19 16:54:10,529 INFO [main.py:798]
{rank 0/64} MD step = 500000 step time: 00:00:00.326450 Performance: 34.316 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-19 16:54:18,767 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 89.571 -19365 9817.1 -29182 -29182 5.0353 4.1352 -2.1843 1.0008e+06 2024-05-19 16:54:18,799 INFO [main.py:1449]
{rank 0/64} Elapsed time: 2 days 21:57:35.657517 Setup time: 00:01:06.867846 MD loop time: 2 days 21:56:28.789671