2024-05-07 18:16:45,737 INFO [configure_runtime.py:176] {rank 0/64} __ __ ____ __ _______ / / / /_ __/ / /__ _________ _____ ______ / |/ / __ \ / /_/ / / / / / / _ \/ ___/ __ `/ __ `/ ___/ / /|_/ / / / / / __ / /_/ / / / __/ / / /_/ / /_/ (__ ) / / / / /_/ / /_/ /_/\__, /_/_/\___/_/ \__,_/\__,_/____/ /_/ /_/_____/ /____/ Version 2.1.0 PLEASE READ AND CITE THE REFERENCES BELOW: [1] Ledum, M.; Sen, S.; Li, X.; Carrer, M.; Feng Y.; Cascella, M.; Bore, S. L. HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multi-Scale Simulations of Soft Matter. J. Chem. Theory Comput. 2023. [2] Ledum, M.; Carrer, M.; Sen, S.; Li, X.; Cascella, M.; Bore, S. L. HyMD: Massively parallel hybrid particle-field molecular dynamics in Python. J. Open Source Softw. 8(84), 4149, 2023. [3] Sen, S.; Ledum, M.; Bore, S. L.; Cascella, M. Soft Matter under Pressure: Pushing Particle–Field Molecular Dynamics to the Isobaric Ensemble. J Chem Inf Model 2023, 63(7), 1549-9596. [4] Bore, S. L.; Cascella, M. Hamiltonian and alias-free hybrid particle–field molecular dynamics. J. Chem. Phys. 2020, 153, 094106. [5] Pippig, M. PFFT: An extension of FFTW to massively parallel architectures. SIAM J. Sci. Comput. 2013, 35, C213–C236. 2024-05-07 18:16:45,740 INFO [configure_runtime.py:200] {rank 0/64} Attempting to parse config file out_tempseries_test/a=8.07/T=150/config.tomli as .toml 2024-05-07 18:16:45,740 INFO [configure_runtime.py:222] {rank 0/64} Successfully parsed out_tempseries_test/a=8.07/T=150/config.tomli as .toml file 2024-05-07 18:16:45,741 INFO [configure_runtime.py:226] {rank 0/64} Config: /cluster/work/jobs/887089/out_tempseries_test/a=8.07/T=150/config.tomli -------------------------------------------------- n_steps: 500000 time_step: 0.2 mesh_size: [262, 262, 262] sigma: 0 kappa: 1000 dtype: None box_size: [10.491, 10.491, 10.491] n_print: 100 tau: 0.5 start_temperature: 150 target_temperature: 150 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/jobs/887089/out_tempseries_test/a=8.07/T=150/config.tomli name: None tags: [] n_particles: 8788 max_molecule_size: 1 n_flush: 2 thermostat_work: 0.0 initial_energy: None cancel_com_momentum: True coulombtype: None convergence_type: None pol_mixing: None dielectric_const: None conv_crit: None dielectric_type: [] self_energy: None type_charges: [] rho0: 8.86 a: None pressure: False barostat: None barostat_type: None tau_p: None n_b: None m: [] filter: lj filter_param: [1.1508, 0.1028, -0.6886, 0.2152] command_line_full: /cluster/projects/nn4654k/cascella_group/new_mgcm/HyMD-dev/hymd/__main__.py out_tempseries_test/a=8.07/T=150/config.tomli out_tempseries_test/a=8.07/T=150/input.h5 --logfile=log.txt --verbose 2 --velocity-output --destdir out_tempseries_test/a=8.07/T=150 --disable-bonds target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: H H: 1.0 W W: 1.0 2024-05-07 18:16:48,836 WARNING [input_parser.py:712] {rank 0/64} Chi interaction W--W specified in /cluster/work/jobs/887089/out_tempseries_test/a=8.07/T=150/config.tomli but no W atoms are present in the specified system (names array) 2024-05-07 18:16:48,851 WARNING [input_parser.py:1051] {rank 0/64} rho0 specified but no barostat,setting rho0 to average density 2024-05-07 18:16:48,851 WARNING [input_parser.py:1152] {rank 0/64} config.n_b not specified.Defaulting to 1 2024-05-07 18:16:49,024 INFO [thermostat.py:36] {rank 0/64} Initialized 8788 velocities, target kinetic energy: 16440.185910329998, actual kinetic energy generated: 16440.185593860624 2024-05-07 18:16:50,228 INFO [main.py:252]
{rank 0/64} pfft-python processor mesh: (8, 8) 2024-05-07 18:17:10,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 150 -17458 16440 -33898 -33898 -0.00076195 0.00073337 -0.0012477 0 2024-05-07 18:17:10,651 INFO [main.py:766]
{rank 0/64} MD step = 1 2024-05-07 18:17:25,730 INFO [main.py:798]
{rank 0/64} MD step = 100 step time: 00:00:00.136704 Performance: 115.746 ns/day 0.207 hours/ns 6.698 steps/s 2024-05-07 18:17:31,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100 20 148.16 -4875.5 16238 -21114 -21114 -0.0004286 -0.0007429 0.00034288 1471.9 2024-05-07 18:17:47,662 INFO [main.py:798]
{rank 0/64} MD step = 200 step time: 00:00:00.147908 Performance: 93.846 ns/day 0.256 hours/ns 5.431 steps/s 2024-05-07 18:17:55,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200 40 150.57 -2934.8 16502 -19437 -19437 -0.00091434 -0.00032383 0.000781 1685.6 2024-05-07 18:18:12,181 INFO [main.py:798]
{rank 0/64} MD step = 300 step time: 00:00:00.160404 Performance: 84.533 ns/day 0.284 hours/ns 4.892 steps/s 2024-05-07 18:18:18,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300 60 148.84 -2816.2 16313 -19129 -19129 -0.00068575 -0.00065718 0.00054289 1871.8 2024-05-07 18:18:33,696 INFO [main.py:798]
{rank 0/64} MD step = 400 step time: 00:00:00.142004 Performance: 83.440 ns/day 0.288 hours/ns 4.829 steps/s 2024-05-07 18:18:39,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400 80 151.65 -2284.2 16621 -18905 -18905 -0.00047622 -0.00041907 0.00068575 2036.6 2024-05-07 18:18:55,695 INFO [main.py:798]
{rank 0/64} MD step = 500 step time: 00:00:00.157122 Performance: 82.416 ns/day 0.291 hours/ns 4.769 steps/s 2024-05-07 18:19:01,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 500 100 148.02 -2167.7 16224 -18391 -18391 -0.0007429 -0.00059051 0.00049527 2263.1 2024-05-07 18:19:17,517 INFO [main.py:798]
{rank 0/64} MD step = 600 step time: 00:00:00.161433 Performance: 81.860 ns/day 0.293 hours/ns 4.737 steps/s 2024-05-07 18:19:25,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 600 120 151.36 -2005.6 16589 -18595 -18595 -0.00072861 -0.00068575 0.00045717 2440.1 2024-05-07 18:19:40,560 INFO [main.py:798]
{rank 0/64} MD step = 700 step time: 00:00:00.154031 Performance: 80.804 ns/day 0.297 hours/ns 4.676 steps/s 2024-05-07 18:19:47,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 700 140 148.59 -2384.2 16285 -18669 -18669 -0.00063813 -0.00040955 0.00063813 2605.6 2024-05-07 18:20:03,045 INFO [main.py:798]
{rank 0/64} MD step = 800 step time: 00:00:00.157036 Performance: 80.289 ns/day 0.299 hours/ns 4.646 steps/s 2024-05-07 18:20:10,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 800 160 150.12 -1998.6 16453 -18452 -18452 -0.00053336 -0.00041907 0.00076195 2749.5 2024-05-07 18:20:25,409 INFO [main.py:798]
{rank 0/64} MD step = 900 step time: 00:00:00.150742 Performance: 79.942 ns/day 0.300 hours/ns 4.626 steps/s 2024-05-07 18:20:32,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 900 180 151.87 -1721.3 16645 -18366 -18366 -0.00060956 -0.0007048 0.00045717 2952.9 2024-05-07 18:20:48,827 INFO [main.py:798]
{rank 0/64} MD step = 1000 step time: 00:00:00.161754 Performance: 79.281 ns/day 0.303 hours/ns 4.588 steps/s 2024-05-07 18:20:54,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1000 200 147.77 -2245.3 16195 -18441 -18441 -0.00087624 -0.00072385 0.00064766 3101.2 2024-05-07 18:21:12,239 INFO [main.py:798]
{rank 0/64} MD step = 1100 step time: 00:00:00.165786 Performance: 78.751 ns/day 0.305 hours/ns 4.557 steps/s 2024-05-07 18:21:18,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1100 220 150.65 -1916.7 16512 -18428 -18428 -5.7146e-05 -0.00068575 0.00068575 3306.9 2024-05-07 18:21:34,952 INFO [main.py:798]
{rank 0/64} MD step = 1200 step time: 00:00:00.159043 Performance: 78.521 ns/day 0.306 hours/ns 4.544 steps/s 2024-05-07 18:21:41,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1200 240 149.21 -2073.1 16354 -18427 -18427 -0.00053336 -0.00045717 0.00038097 3442.4 2024-05-07 18:21:57,575 INFO [main.py:798]
{rank 0/64} MD step = 1300 step time: 00:00:00.157258 Performance: 78.353 ns/day 0.306 hours/ns 4.534 steps/s 2024-05-07 18:22:03,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1300 260 147.77 -2270.8 16196 -18467 -18467 -0.000781 -0.00030478 0.00047622 3588.8 2024-05-07 18:22:19,354 INFO [main.py:798]
{rank 0/64} MD step = 1400 step time: 00:00:00.148121 Performance: 78.423 ns/day 0.306 hours/ns 4.538 steps/s 2024-05-07 18:22:24,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1400 280 150.75 -2059.2 16522 -18581 -18581 -0.00034288 -0.00045717 0.00051431 3730.9 2024-05-07 18:22:42,841 INFO [main.py:798]
{rank 0/64} MD step = 1500 step time: 00:00:00.159720 Performance: 78.080 ns/day 0.307 hours/ns 4.519 steps/s 2024-05-07 18:22:50,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1500 300 149.19 -1855.2 16351 -18206 -18206 -0.00077147 -0.00057146 0.00017144 3981.7 2024-05-07 18:23:06,029 INFO [main.py:798]
{rank 0/64} MD step = 1600 step time: 00:00:00.160577 Performance: 77.847 ns/day 0.308 hours/ns 4.505 steps/s 2024-05-07 18:23:13,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1600 320 151.32 -1866.3 16585 -18451 -18451 -0.00068575 -0.00034288 0.00090481 4163.7 2024-05-07 18:23:29,789 INFO [main.py:798]
{rank 0/64} MD step = 1700 step time: 00:00:00.161617 Performance: 77.527 ns/day 0.310 hours/ns 4.486 steps/s 2024-05-07 18:23:38,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1700 340 150.18 -1869 16460 -18329 -18329 -0.0006667 -0.00058099 0.00064766 4349.5 2024-05-07 18:23:53,804 INFO [main.py:798]
{rank 0/64} MD step = 1800 step time: 00:00:00.167814 Performance: 77.195 ns/day 0.311 hours/ns 4.467 steps/s 2024-05-07 18:24:02,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1800 360 151.15 -1768.6 16566 -18335 -18335 -0.00064766 -0.00049527 0.00099053 4461.6 2024-05-07 18:24:18,817 INFO [main.py:798]
{rank 0/64} MD step = 1900 step time: 00:00:00.155369 Performance: 76.721 ns/day 0.313 hours/ns 4.440 steps/s 2024-05-07 18:24:23,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1900 380 149.65 -1905.4 16402 -18307 -18307 -0.00080005 -0.00053336 0.00053336 4644.7 2024-05-07 18:24:42,784 INFO [main.py:798]
{rank 0/64} MD step = 2000 step time: 00:00:00.156238 Performance: 76.476 ns/day 0.314 hours/ns 4.426 steps/s 2024-05-07 18:24:49,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2000 400 149.01 -1989.1 16332 -18321 -18321 -0.00064766 -0.00049527 0.00053336 4762.3 2024-05-07 18:25:05,530 INFO [main.py:798]
{rank 0/64} MD step = 2100 step time: 00:00:00.161351 Performance: 76.452 ns/day 0.314 hours/ns 4.424 steps/s 2024-05-07 18:25:11,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2100 420 148.65 -2232.7 16293 -18525 -18525 -0.00057146 -0.00068575 0.0003524 4940.1 2024-05-07 18:25:28,061 INFO [main.py:798]
{rank 0/64} MD step = 2200 step time: 00:00:00.164620 Performance: 76.463 ns/day 0.314 hours/ns 4.425 steps/s 2024-05-07 18:25:40,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2200 440 151.35 -1858.6 16588 -18447 -18447 -0.00076195 -0.0006667 0.00049527 5153.4 2024-05-07 18:25:56,471 INFO [main.py:798]
{rank 0/64} MD step = 2300 step time: 00:00:00.155346 Performance: 75.618 ns/day 0.317 hours/ns 4.376 steps/s 2024-05-07 18:26:03,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2300 460 148.96 -1992.2 16326 -18318 -18318 -0.00034288 -0.00041907 0.00043812 5280.1 2024-05-07 18:26:19,238 INFO [main.py:798]
{rank 0/64} MD step = 2400 step time: 00:00:00.159776 Performance: 75.629 ns/day 0.317 hours/ns 4.377 steps/s 2024-05-07 18:26:25,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2400 480 150.88 -1619.6 16536 -18156 -18156 -0.0007429 -0.0006667 0.00038097 5446 2024-05-07 18:26:41,690 INFO [main.py:798]
{rank 0/64} MD step = 2500 step time: 00:00:00.159576 Performance: 75.682 ns/day 0.317 hours/ns 4.380 steps/s 2024-05-07 18:26:50,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2500 500 151.86 -1711.6 16644 -18356 -18356 -0.00060956 -0.00030478 0.00085719 5649.5 2024-05-07 18:27:05,746 INFO [main.py:798]
{rank 0/64} MD step = 2600 step time: 00:00:00.149523 Performance: 75.526 ns/day 0.318 hours/ns 4.371 steps/s 2024-05-07 18:27:22,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2600 520 151.12 -1967.8 16563 -18530 -18530 -0.00056194 -0.00038097 0.00041907 5784.7 2024-05-07 18:27:38,690 INFO [main.py:798]
{rank 0/64} MD step = 2700 step time: 00:00:00.140556 Performance: 74.316 ns/day 0.323 hours/ns 4.301 steps/s 2024-05-07 18:27:46,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2700 540 151.14 -1667.5 16565 -18233 -18233 -0.00080005 -0.00040955 0.00036193 5958.1 2024-05-07 18:28:02,417 INFO [main.py:798]
{rank 0/64} MD step = 2800 step time: 00:00:00.154359 Performance: 74.262 ns/day 0.323 hours/ns 4.298 steps/s 2024-05-07 18:28:09,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2800 560 147.24 -2313.1 16137 -18450 -18450 -0.00085719 -0.00043812 0.00053336 6058.2 2024-05-07 18:28:25,184 INFO [main.py:798]
{rank 0/64} MD step = 2900 step time: 00:00:00.155619 Performance: 74.317 ns/day 0.323 hours/ns 4.301 steps/s 2024-05-07 18:28:33,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2900 580 149.49 -2084.9 16384 -18469 -18469 -0.00064766 -0.0007429 0.00053336 6234.6 2024-05-07 18:28:49,116 INFO [main.py:798]
{rank 0/64} MD step = 3000 step time: 00:00:00.155268 Performance: 74.245 ns/day 0.323 hours/ns 4.297 steps/s 2024-05-07 18:29:24,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3000 600 149.5 -2002.9 16386 -18389 -18389 -0.00081909 -0.00049527 0.00038097 6371.9 2024-05-07 18:29:40,229 INFO [main.py:798]
{rank 0/64} MD step = 3100 step time: 00:00:00.157041 Performance: 71.487 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 18:29:48,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3100 620 148.32 -1957.7 16256 -18213 -18213 -0.0010382 -0.00064766 0.00062861 6524.8 2024-05-07 18:30:04,378 INFO [main.py:798]
{rank 0/64} MD step = 3200 step time: 00:00:00.152604 Performance: 71.489 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 18:30:12,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3200 640 149.79 -2005.7 16417 -18423 -18423 -0.00049527 -0.00053813 0.00083814 6684.6 2024-05-07 18:30:28,026 INFO [main.py:798]
{rank 0/64} MD step = 3300 step time: 00:00:00.148068 Performance: 71.536 ns/day 0.335 hours/ns 4.140 steps/s 2024-05-07 18:30:36,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3300 660 148.3 -2205.1 16254 -18459 -18459 -0.00076195 -0.00085719 0.00083814 6864.4 2024-05-07 18:30:52,134 INFO [main.py:798]
{rank 0/64} MD step = 3400 step time: 00:00:00.143085 Performance: 71.540 ns/day 0.335 hours/ns 4.140 steps/s 2024-05-07 18:31:03,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3400 680 148.51 -2110.6 16277 -18387 -18387 -0.00036193 -0.00083814 0.00059051 7033.5 2024-05-07 18:31:18,843 INFO [main.py:798]
{rank 0/64} MD step = 3500 step time: 00:00:00.153256 Performance: 71.325 ns/day 0.336 hours/ns 4.128 steps/s 2024-05-07 18:31:25,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3500 700 149.69 -2156.4 16406 -18562 -18562 -0.00057146 -0.00040955 3.8097e-05 7205.5 2024-05-07 18:31:41,470 INFO [main.py:798]
{rank 0/64} MD step = 3600 step time: 00:00:00.162446 Performance: 71.456 ns/day 0.336 hours/ns 4.135 steps/s 2024-05-07 18:31:50,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3600 720 152.82 -1848.7 16749 -18598 -18598 -0.00060956 -0.00052384 0.00053336 7359.1 2024-05-07 18:32:05,362 INFO [main.py:798]
{rank 0/64} MD step = 3700 step time: 00:00:00.166885 Performance: 71.479 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 18:32:15,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3700 740 152.49 -1652.4 16714 -18366 -18366 -0.00091434 -0.00087624 0.00060956 7526.7 2024-05-07 18:32:29,999 INFO [main.py:798]
{rank 0/64} MD step = 3800 step time: 00:00:00.141439 Performance: 71.443 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 18:32:38,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3800 760 151.26 -1977.9 16579 -18556 -18556 -0.00043812 -0.00028573 0.00036193 7702 2024-05-07 18:32:54,553 INFO [main.py:798]
{rank 0/64} MD step = 3900 step time: 00:00:00.148441 Performance: 71.416 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 18:33:00,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3900 780 148.59 -2233.8 16286 -18520 -18520 -0.00057146 -0.00053336 0.00083814 7899.5 2024-05-07 18:33:16,762 INFO [main.py:798]
{rank 0/64} MD step = 4000 step time: 00:00:00.152926 Performance: 71.562 ns/day 0.335 hours/ns 4.141 steps/s 2024-05-07 18:33:24,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4000 800 148.88 -2269.5 16317 -18587 -18587 -0.00060956 -0.00040002 0.00085719 8077.5 2024-05-07 18:33:40,448 INFO [main.py:798]
{rank 0/64} MD step = 4100 step time: 00:00:00.153976 Performance: 71.596 ns/day 0.335 hours/ns 4.143 steps/s 2024-05-07 18:33:45,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4100 820 150.93 -2182.2 16542 -18724 -18724 -0.00032383 -0.00048574 0.00019049 8244.5 2024-05-07 18:34:02,919 INFO [main.py:798]
{rank 0/64} MD step = 4200 step time: 00:00:00.159686 Performance: 71.714 ns/day 0.335 hours/ns 4.150 steps/s 2024-05-07 18:34:10,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4200 840 152.32 -1820 16694 -18514 -18514 -0.00049527 -0.00046669 0.00062861 8413.7 2024-05-07 18:34:26,230 INFO [main.py:798]
{rank 0/64} MD step = 4300 step time: 00:00:00.193389 Performance: 71.768 ns/day 0.334 hours/ns 4.153 steps/s 2024-05-07 18:34:34,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4300 860 150.26 -2094.9 16469 -18564 -18564 -0.00045717 -0.0007048 0.00041907 8602.7 2024-05-07 18:34:49,778 INFO [main.py:798]
{rank 0/64} MD step = 4400 step time: 00:00:00.156278 Performance: 71.804 ns/day 0.334 hours/ns 4.155 steps/s 2024-05-07 18:34:59,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4400 880 150 -1889.2 16440 -18329 -18329 -0.00031907 -0.00065718 0.00099053 8761.8 2024-05-07 18:35:15,878 INFO [main.py:798]
{rank 0/64} MD step = 4500 step time: 00:00:00.155663 Performance: 71.669 ns/day 0.335 hours/ns 4.148 steps/s 2024-05-07 18:35:35,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4500 900 146.79 -2407.4 16088 -18496 -18496 -0.00045717 -0.00080005 0.00086672 8938.5 2024-05-07 18:35:51,152 INFO [main.py:798]
{rank 0/64} MD step = 4600 step time: 00:00:00.151263 Performance: 70.955 ns/day 0.338 hours/ns 4.106 steps/s 2024-05-07 18:35:55,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4600 920 150.25 -2095.7 16468 -18563 -18563 -0.00047622 -0.00091434 0.00076195 9115.7 2024-05-07 18:36:17,170 INFO [main.py:798]
{rank 0/64} MD step = 4700 step time: 00:00:00.167984 Performance: 70.852 ns/day 0.339 hours/ns 4.100 steps/s 2024-05-07 18:36:24,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4700 940 149.81 -2150.4 16420 -18570 -18570 -0.00020954 -0.00049527 0.00051431 9258.4 2024-05-07 18:36:40,702 INFO [main.py:798]
{rank 0/64} MD step = 4800 step time: 00:00:00.161965 Performance: 70.904 ns/day 0.338 hours/ns 4.103 steps/s 2024-05-07 18:36:51,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4800 960 150.12 -2323.2 16453 -18776 -18776 -0.00064766 -0.00054289 0.00076195 9409.9 2024-05-07 18:37:09,722 INFO [main.py:798]
{rank 0/64} MD step = 4900 step time: 00:00:00.158773 Performance: 70.629 ns/day 0.340 hours/ns 4.087 steps/s 2024-05-07 18:37:18,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4900 980 151.45 -2082.7 16600 -18682 -18682 -0.00068575 -0.00057146 0.00091434 9551.1 2024-05-07 18:37:34,697 INFO [main.py:798]
{rank 0/64} MD step = 5000 step time: 00:00:00.158429 Performance: 70.600 ns/day 0.340 hours/ns 4.086 steps/s 2024-05-07 18:37:43,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5000 1000 150.42 -2045.2 16486 -18531 -18531 -0.00038097 -0.00055241 0.00072385 9758.5 2024-05-07 18:37:59,438 INFO [main.py:798]
{rank 0/64} MD step = 5100 step time: 00:00:00.138080 Performance: 70.585 ns/day 0.340 hours/ns 4.085 steps/s 2024-05-07 18:38:13,480 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 150.73 -1853.6 16520 -18374 -18374 -0.00049527 -0.00085719 0.00099053 9927.4 2024-05-07 18:38:28,815 INFO [main.py:798]
{rank 0/64} MD step = 5200 step time: 00:00:00.135535 Performance: 70.314 ns/day 0.341 hours/ns 4.069 steps/s 2024-05-07 18:38:34,940 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 151.2 -1696.3 16572 -18268 -18268 -0.00038097 -0.00056194 0.00038097 10141 2024-05-07 18:38:51,504 INFO [main.py:798]
{rank 0/64} MD step = 5300 step time: 00:00:00.135999 Performance: 70.416 ns/day 0.341 hours/ns 4.075 steps/s 2024-05-07 18:38:57,946 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 149.49 -2256.5 16385 -18641 -18641 -0.0010286 -0.00055241 0.00038097 10279 2024-05-07 18:39:13,328 INFO [main.py:798]
{rank 0/64} MD step = 5400 step time: 00:00:00.147813 Performance: 70.561 ns/day 0.340 hours/ns 4.083 steps/s 2024-05-07 18:39:20,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5400 1080 151.99 -1636.4 16659 -18295 -18295 -0.00068575 -0.00030478 -0.00015239 10494 2024-05-07 18:39:37,903 INFO [main.py:798]
{rank 0/64} MD step = 5500 step time: 00:00:00.147496 Performance: 70.556 ns/day 0.340 hours/ns 4.083 steps/s 2024-05-07 18:39:47,769 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 151.16 -1664.3 16567 -18231 -18231 -0.00055241 -0.00055241 0.0006667 10630 2024-05-07 18:40:03,805 INFO [main.py:798]
{rank 0/64} MD step = 5600 step time: 00:00:00.154750 Performance: 70.484 ns/day 0.341 hours/ns 4.079 steps/s 2024-05-07 18:40:11,592 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 150.6 -1816.9 16506 -18323 -18323 -0.00083814 -0.00072385 0.00062861 10775 2024-05-07 18:40:27,629 INFO [main.py:798]
{rank 0/64} MD step = 5700 step time: 00:00:00.160232 Performance: 70.519 ns/day 0.340 hours/ns 4.081 steps/s 2024-05-07 18:40:37,431 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 149.78 -1732.5 16416 -18148 -18148 -0.00093339 -0.00045717 0.00057146 10931 2024-05-07 18:40:53,020 INFO [main.py:798]
{rank 0/64} MD step = 5800 step time: 00:00:00.162321 Performance: 70.475 ns/day 0.341 hours/ns 4.078 steps/s 2024-05-07 18:40:58,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5800 1160 149.26 -1906.1 16360 -18266 -18266 -0.00051431 -0.0007048 0.00076195 11095 2024-05-07 18:41:15,714 INFO [main.py:798]
{rank 0/64} MD step = 5900 step time: 00:00:00.159817 Performance: 70.564 ns/day 0.340 hours/ns 4.084 steps/s 2024-05-07 18:41:26,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5900 1180 148.06 -2100.2 16228 -18328 -18328 -0.00040002 -0.000781 0.00072385 11246 2024-05-07 18:41:41,459 INFO [main.py:798]
{rank 0/64} MD step = 6000 step time: 00:00:00.157370 Performance: 70.504 ns/day 0.340 hours/ns 4.080 steps/s 2024-05-07 18:41:50,858 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 149.18 -1875.1 16350 -18225 -18225 -0.00083814 -0.00040002 0.00053336 11437 2024-05-07 18:42:06,350 INFO [main.py:798]
{rank 0/64} MD step = 6100 step time: 00:00:00.172046 Performance: 70.486 ns/day 0.340 hours/ns 4.079 steps/s 2024-05-07 18:42:13,407 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 150.39 -1797.4 16483 -18281 -18281 -0.0003905 -0.00026668 0.00040002 11613 2024-05-07 18:42:29,300 INFO [main.py:798]
{rank 0/64} MD step = 6200 step time: 00:00:00.169868 Performance: 70.558 ns/day 0.340 hours/ns 4.083 steps/s 2024-05-07 18:42:40,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6200 1240 150.15 -1983.1 16457 -18440 -18440 -0.00060956 -0.00082386 0.0007429 11757 2024-05-07 18:42:54,576 INFO [main.py:798]
{rank 0/64} MD step = 6300 step time: 00:00:00.158284 Performance: 70.522 ns/day 0.340 hours/ns 4.081 steps/s 2024-05-07 18:43:06,394 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 149.75 -1977.9 16413 -18391 -18391 -0.00083814 -0.00022858 0.00064766 11956 2024-05-07 18:43:21,681 INFO [main.py:798]
{rank 0/64} MD step = 6400 step time: 00:00:00.154004 Performance: 70.406 ns/day 0.341 hours/ns 4.074 steps/s 2024-05-07 18:43:30,151 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 149.72 -1717.8 16410 -18128 -18128 -0.00057146 -0.00043812 0.00073337 12124 2024-05-07 18:43:45,550 INFO [main.py:798]
{rank 0/64} MD step = 6500 step time: 00:00:00.159451 Performance: 70.435 ns/day 0.341 hours/ns 4.076 steps/s 2024-05-07 18:43:54,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6500 1300 148.11 -2144.4 16233 -18377 -18377 -0.00068575 -0.00057146 0.000781 12301 2024-05-07 18:44:10,553 INFO [main.py:798]
{rank 0/64} MD step = 6600 step time: 00:00:00.164604 Performance: 70.415 ns/day 0.341 hours/ns 4.075 steps/s 2024-05-07 18:44:18,662 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 149.33 -2040.2 16367 -18407 -18407 -0.00043812 -0.00076195 0.0006667 12514 2024-05-07 18:44:34,360 INFO [main.py:798]
{rank 0/64} MD step = 6700 step time: 00:00:00.149580 Performance: 70.446 ns/day 0.341 hours/ns 4.077 steps/s 2024-05-07 18:45:03,545 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 149.54 -1942.4 16390 -18332 -18332 -0.00062861 -0.00057146 0.00091434 12664 2024-05-07 18:45:19,699 INFO [main.py:798]
{rank 0/64} MD step = 6800 step time: 00:00:00.152012 Performance: 69.578 ns/day 0.345 hours/ns 4.027 steps/s 2024-05-07 18:45:28,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6800 1360 148.35 -2064.1 16259 -18323 -18323 -0.00069528 -0.00033335 0.00041907 12887 2024-05-07 18:45:43,843 INFO [main.py:798]
{rank 0/64} MD step = 6900 step time: 00:00:00.137076 Performance: 69.606 ns/day 0.345 hours/ns 4.028 steps/s 2024-05-07 18:45:54,841 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 150.41 -1859.9 16486 -18346 -18346 -0.00062861 -0.00047622 0.00053336 13018 2024-05-07 18:46:10,088 INFO [main.py:798]
{rank 0/64} MD step = 7000 step time: 00:00:00.149508 Performance: 69.550 ns/day 0.345 hours/ns 4.025 steps/s 2024-05-07 18:46:21,240 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 150.29 -2055.4 16472 -18527 -18527 -0.00038097 -0.00061908 0.00046669 13140 2024-05-07 18:46:37,066 INFO [main.py:798]
{rank 0/64} MD step = 7100 step time: 00:00:00.171082 Performance: 69.466 ns/day 0.345 hours/ns 4.020 steps/s 2024-05-07 18:46:49,285 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 148.09 -2323.7 16231 -18555 -18555 -0.00085719 -0.00068575 0.00060956 13286 2024-05-07 18:47:04,495 INFO [main.py:798]
{rank 0/64} MD step = 7200 step time: 00:00:00.171621 Performance: 69.367 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 18:47:11,460 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 151 -1843 16550 -18393 -18393 -0.0007429 -0.00064766 0.00068575 13456 2024-05-07 18:47:25,851 INFO [main.py:798]
{rank 0/64} MD step = 7300 step time: 00:00:00.155040 Performance: 69.503 ns/day 0.345 hours/ns 4.022 steps/s 2024-05-07 18:47:32,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7300 1460 149.18 -1828.5 16350 -18179 -18179 -0.00053336 -0.00045717 0.00076195 13581 2024-05-07 18:47:49,071 INFO [main.py:798]
{rank 0/64} MD step = 7400 step time: 00:00:00.155123 Performance: 69.565 ns/day 0.345 hours/ns 4.026 steps/s 2024-05-07 18:47:56,101 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 147.96 -2284.5 16217 -18501 -18501 -0.00087624 -0.00069528 0.00091434 13774 2024-05-07 18:48:11,523 INFO [main.py:798]
{rank 0/64} MD step = 7500 step time: 00:00:00.164139 Performance: 69.654 ns/day 0.345 hours/ns 4.031 steps/s 2024-05-07 18:48:19,406 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 150.57 -1908.7 16503 -18412 -18412 -0.00038097 -0.00060956 0.0007048 13961 2024-05-07 18:48:35,070 INFO [main.py:798]
{rank 0/64} MD step = 7600 step time: 00:00:00.167037 Performance: 69.701 ns/day 0.344 hours/ns 4.034 steps/s 2024-05-07 18:48:41,041 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 153.73 -1498.7 16849 -18348 -18348 -0.00064766 -0.0006667 0.00087624 14093 2024-05-07 18:48:59,286 INFO [main.py:798]
{rank 0/64} MD step = 7700 step time: 00:00:00.174003 Performance: 69.722 ns/day 0.344 hours/ns 4.035 steps/s 2024-05-07 18:49:07,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7700 1540 151.91 -1802 16649 -18451 -18451 -0.0010191 -0.00051431 0.00053336 14299 2024-05-07 18:49:23,109 INFO [main.py:798]
{rank 0/64} MD step = 7800 step time: 00:00:00.163582 Performance: 69.756 ns/day 0.344 hours/ns 4.037 steps/s 2024-05-07 18:49:30,284 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 151.38 -1918.1 16591 -18509 -18509 -0.00045717 -0.00036193 0.00033335 14436 2024-05-07 18:49:46,338 INFO [main.py:798]
{rank 0/64} MD step = 7900 step time: 00:00:00.175864 Performance: 69.811 ns/day 0.344 hours/ns 4.040 steps/s 2024-05-07 18:49:55,752 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 152.8 -1891.6 16747 -18639 -18639 -0.000781 -0.00049527 0.00087624 14654 2024-05-07 18:50:11,846 INFO [main.py:798]
{rank 0/64} MD step = 8000 step time: 00:00:00.149231 Performance: 69.785 ns/day 0.344 hours/ns 4.038 steps/s 2024-05-07 18:50:33,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8000 1600 150.61 -1995.4 16508 -18503 -18503 -0.00099053 -0.00043812 0.00053336 14829 2024-05-07 18:50:49,317 INFO [main.py:798]
{rank 0/64} MD step = 8100 step time: 00:00:00.157521 Performance: 69.345 ns/day 0.346 hours/ns 4.013 steps/s 2024-05-07 18:50:54,988 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 150.01 -1769.2 16442 -18211 -18211 -0.00053336 -0.00043812 0.00038097 15025 2024-05-07 18:51:12,879 INFO [main.py:798]
{rank 0/64} MD step = 8200 step time: 00:00:00.161416 Performance: 69.392 ns/day 0.346 hours/ns 4.016 steps/s 2024-05-07 18:51:21,004 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 150.17 -1805.5 16459 -18265 -18265 -0.00064766 -0.00060956 0.00060956 15188 2024-05-07 18:51:37,451 INFO [main.py:798]
{rank 0/64} MD step = 8300 step time: 00:00:00.160224 Performance: 69.403 ns/day 0.346 hours/ns 4.016 steps/s 2024-05-07 18:51:43,027 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 146.41 -2124.5 16046 -18171 -18171 -0.00083814 -0.00064766 0.00068575 15336 2024-05-07 18:51:58,359 INFO [main.py:798]
{rank 0/64} MD step = 8400 step time: 00:00:00.155932 Performance: 69.535 ns/day 0.345 hours/ns 4.024 steps/s 2024-05-07 18:52:09,943 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 149.77 -1786 16415 -18201 -18201 -0.00083814 -0.00049527 0.00072385 15506 2024-05-07 18:52:25,500 INFO [main.py:798]
{rank 0/64} MD step = 8500 step time: 00:00:00.157475 Performance: 69.460 ns/day 0.346 hours/ns 4.020 steps/s 2024-05-07 18:52:32,860 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 148.75 -1916 16303 -18219 -18219 -0.00053336 -0.00093339 0.00083814 15670 2024-05-07 18:52:48,384 INFO [main.py:798]
{rank 0/64} MD step = 8600 step time: 00:00:00.142460 Performance: 69.525 ns/day 0.345 hours/ns 4.023 steps/s 2024-05-07 18:52:55,015 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 151.11 -1835.9 16562 -18398 -18398 -0.00083814 -0.00082862 0.00064766 15871 2024-05-07 18:53:11,073 INFO [main.py:798]
{rank 0/64} MD step = 8700 step time: 00:00:00.158378 Performance: 69.594 ns/day 0.345 hours/ns 4.027 steps/s 2024-05-07 18:53:58,795 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 150.06 -1850.1 16447 -18297 -18297 -0.00064766 -0.00038097 0.00045717 15977 2024-05-07 18:54:14,486 INFO [main.py:798]
{rank 0/64} MD step = 8800 step time: 00:00:00.167496 Performance: 68.387 ns/day 0.351 hours/ns 3.958 steps/s 2024-05-07 18:54:21,980 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 149.63 -1999.6 16399 -18399 -18399 -0.0007429 -0.00038097 0.00080005 16134 2024-05-07 18:54:37,428 INFO [main.py:798]
{rank 0/64} MD step = 8900 step time: 00:00:00.165704 Performance: 68.458 ns/day 0.351 hours/ns 3.962 steps/s 2024-05-07 18:54:43,225 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 151.12 -2072.7 16563 -18636 -18636 -0.00095243 -0.00081909 0.00059051 16305 2024-05-07 18:54:58,897 INFO [main.py:798]
{rank 0/64} MD step = 9000 step time: 00:00:00.161220 Performance: 68.572 ns/day 0.350 hours/ns 3.968 steps/s 2024-05-07 18:55:08,521 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 150.88 -1883.7 16537 -18421 -18421 -0.00081909 -0.00089529 0.00095243 16518 2024-05-07 18:55:24,496 INFO [main.py:798]
{rank 0/64} MD step = 9100 step time: 00:00:00.167920 Performance: 68.560 ns/day 0.350 hours/ns 3.968 steps/s 2024-05-07 18:55:30,793 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 150.66 -1611.3 16512 -18123 -18123 -0.00082862 -0.00053336 0.00080005 16708 2024-05-07 18:55:46,954 INFO [main.py:798]
{rank 0/64} MD step = 9200 step time: 00:00:00.156577 Performance: 68.641 ns/day 0.350 hours/ns 3.972 steps/s 2024-05-07 18:55:57,294 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 150.74 -1605.4 16522 -18127 -18127 -0.00095243 -0.00015239 0.00059527 16834 2024-05-07 18:56:13,493 INFO [main.py:798]
{rank 0/64} MD step = 9300 step time: 00:00:00.165664 Performance: 68.601 ns/day 0.350 hours/ns 3.970 steps/s 2024-05-07 18:56:21,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9300 1860 149.92 -2021.6 16431 -18453 -18453 -0.00045717 -0.00053336 0.00068575 17008 2024-05-07 18:56:36,626 INFO [main.py:798]
{rank 0/64} MD step = 9400 step time: 00:00:00.156501 Performance: 68.661 ns/day 0.350 hours/ns 3.973 steps/s 2024-05-07 18:56:43,054 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 150.95 -1814.8 16545 -18359 -18359 -0.00034288 -0.00053336 0.00087624 17158 2024-05-07 18:56:58,583 INFO [main.py:798]
{rank 0/64} MD step = 9500 step time: 00:00:00.155208 Performance: 68.753 ns/day 0.349 hours/ns 3.979 steps/s 2024-05-07 18:57:06,362 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 151.82 -1906.4 16639 -18546 -18546 -0.00083814 -0.00030478 0.00085719 17315 2024-05-07 18:57:21,873 INFO [main.py:798]
{rank 0/64} MD step = 9600 step time: 00:00:00.151674 Performance: 68.805 ns/day 0.349 hours/ns 3.982 steps/s 2024-05-07 18:57:29,815 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 151.18 -1852.2 16569 -18421 -18421 -0.00030478 -0.00041907 0.00034288 17548 2024-05-07 18:57:49,450 INFO [main.py:798]
{rank 0/64} MD step = 9700 step time: 00:00:00.148790 Performance: 68.736 ns/day 0.349 hours/ns 3.978 steps/s 2024-05-07 18:57:55,719 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 150.11 -2036.8 16452 -18489 -18489 -0.00087624 -0.00068575 0.00083814 17626 2024-05-07 18:58:12,027 INFO [main.py:798]
{rank 0/64} MD step = 9800 step time: 00:00:00.154116 Performance: 68.808 ns/day 0.349 hours/ns 3.982 steps/s 2024-05-07 18:58:15,770 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 150.86 -1994.4 16535 -18529 -18529 -0.00034288 -0.00062861 0.00091434 17822 2024-05-07 18:58:32,019 INFO [main.py:798]
{rank 0/64} MD step = 9900 step time: 00:00:00.166788 Performance: 68.950 ns/day 0.348 hours/ns 3.990 steps/s 2024-05-07 18:58:38,542 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 150.74 -2099.2 16522 -18621 -18621 -0.00064766 -0.00041907 0.00072385 17979 2024-05-07 18:58:54,006 INFO [main.py:798]
{rank 0/64} MD step = 10000 step time: 00:00:00.156200 Performance: 69.034 ns/day 0.348 hours/ns 3.995 steps/s 2024-05-07 18:59:00,287 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 152.23 -1847.8 16685 -18533 -18533 -0.00076195 -0.00057146 0.00038097 18168 2024-05-07 18:59:16,488 INFO [main.py:798]
{rank 0/64} MD step = 10100 step time: 00:00:00.154517 Performance: 69.104 ns/day 0.347 hours/ns 3.999 steps/s 2024-05-07 18:59:23,091 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 150.72 -2313.6 16519 -18833 -18833 -0.000781 -0.00068575 0.00071433 18331 2024-05-07 18:59:38,836 INFO [main.py:798]
{rank 0/64} MD step = 10200 step time: 00:00:00.149182 Performance: 69.176 ns/day 0.347 hours/ns 4.003 steps/s 2024-05-07 18:59:44,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10200 2040 151.34 -2004 16587 -18591 -18591 -0.00047622 -0.00080005 0.00068575 18510 2024-05-07 19:00:00,734 INFO [main.py:798]
{rank 0/64} MD step = 10300 step time: 00:00:00.138330 Performance: 69.259 ns/day 0.347 hours/ns 4.008 steps/s 2024-05-07 19:00:06,689 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 152.27 -1490.5 16689 -18179 -18179 -0.00086672 -0.00091434 0.00053336 18723 2024-05-07 19:00:21,529 INFO [main.py:798]
{rank 0/64} MD step = 10400 step time: 00:00:00.151676 Performance: 69.370 ns/day 0.346 hours/ns 4.014 steps/s 2024-05-07 19:00:28,878 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 151.39 -1826.2 16593 -18419 -18419 -0.00068575 -0.00080005 0.00064766 18855 2024-05-07 19:00:44,774 INFO [main.py:798]
{rank 0/64} MD step = 10500 step time: 00:00:00.163428 Performance: 69.414 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-07 19:00:53,103 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 149.81 -2046.6 16420 -18466 -18466 -0.00059051 -0.00068575 0.00049527 19061 2024-05-07 19:01:08,357 INFO [main.py:798]
{rank 0/64} MD step = 10600 step time: 00:00:00.159089 Performance: 69.449 ns/day 0.346 hours/ns 4.019 steps/s 2024-05-07 19:01:16,170 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 150.13 -2001.9 16454 -18456 -18456 -0.00087624 -0.00068575 0.00053336 19184 2024-05-07 19:01:31,074 INFO [main.py:798]
{rank 0/64} MD step = 10700 step time: 00:00:00.167753 Performance: 69.505 ns/day 0.345 hours/ns 4.022 steps/s 2024-05-07 19:01:37,745 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 150.15 -1888.2 16456 -18345 -18345 -0.00049527 -0.00025716 0.00019049 19372 2024-05-07 19:01:52,543 INFO [main.py:798]
{rank 0/64} MD step = 10800 step time: 00:00:00.139078 Performance: 69.593 ns/day 0.345 hours/ns 4.027 steps/s 2024-05-07 19:02:00,278 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 150.8 -1965.4 16528 -18494 -18494 -0.00083814 -0.00027621 0.00085719 19476 2024-05-07 19:02:15,857 INFO [main.py:798]
{rank 0/64} MD step = 10900 step time: 00:00:00.152888 Performance: 69.632 ns/day 0.345 hours/ns 4.030 steps/s 2024-05-07 19:02:20,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10900 2180 150.16 -2096.2 16457 -18554 -18554 -0.00051431 -0.0007048 0.00045717 19622 2024-05-07 19:02:39,322 INFO [main.py:798]
{rank 0/64} MD step = 11000 step time: 00:00:00.162469 Performance: 69.667 ns/day 0.344 hours/ns 4.032 steps/s 2024-05-07 19:02:47,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11000 2200 150.02 -1911.3 16442 -18354 -18354 -0.00091434 -0.00053336 0.00032383 19840 2024-05-07 19:03:03,204 INFO [main.py:798]
{rank 0/64} MD step = 11100 step time: 00:00:00.165320 Performance: 69.690 ns/day 0.344 hours/ns 4.033 steps/s 2024-05-07 19:03:08,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11100 2220 149.83 -1902.7 16422 -18324 -18324 -0.00030478 -0.00051431 0.00024763 20031 2024-05-07 19:03:25,316 INFO [main.py:798]
{rank 0/64} MD step = 11200 step time: 00:00:00.164106 Performance: 69.757 ns/day 0.344 hours/ns 4.037 steps/s 2024-05-07 19:03:32,685 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 151.3 -1746 16582 -18328 -18328 -0.00040002 -0.00051431 0.00087624 20145 2024-05-07 19:03:46,966 INFO [main.py:798]
{rank 0/64} MD step = 11300 step time: 00:00:00.155059 Performance: 69.835 ns/day 0.344 hours/ns 4.041 steps/s 2024-05-07 19:03:52,148 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 148.18 -2155.5 16241 -18396 -18396 -0.00059051 -0.00041907 0.00053336 20284 2024-05-07 19:04:09,219 INFO [main.py:798]
{rank 0/64} MD step = 11400 step time: 00:00:00.147646 Performance: 69.897 ns/day 0.343 hours/ns 4.045 steps/s 2024-05-07 19:04:17,838 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 149.21 -2022.6 16354 -18376 -18376 -0.00038097 -0.00080005 0.00060956 20459 2024-05-07 19:04:33,107 INFO [main.py:798]
{rank 0/64} MD step = 11500 step time: 00:00:00.148843 Performance: 69.917 ns/day 0.343 hours/ns 4.046 steps/s 2024-05-07 19:04:40,131 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 154.13 -1528.7 16893 -18422 -18422 -0.00076195 -0.00064766 0.00041907 20576 2024-05-07 19:04:56,655 INFO [main.py:798]
{rank 0/64} MD step = 11600 step time: 00:00:00.156622 Performance: 69.946 ns/day 0.343 hours/ns 4.048 steps/s 2024-05-07 19:05:03,443 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 148.06 -2132.9 16228 -18361 -18361 -0.00060956 -0.00045717 0.00061432 20738 2024-05-07 19:05:19,366 INFO [main.py:798]
{rank 0/64} MD step = 11700 step time: 00:00:00.151967 Performance: 69.994 ns/day 0.343 hours/ns 4.051 steps/s 2024-05-07 19:05:26,910 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 150.01 -2028.1 16441 -18469 -18469 -0.00077147 -0.000781 0.00034288 20849 2024-05-07 19:05:42,617 INFO [main.py:798]
{rank 0/64} MD step = 11800 step time: 00:00:00.150933 Performance: 70.029 ns/day 0.343 hours/ns 4.053 steps/s 2024-05-07 19:05:49,771 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 150.31 -1958.6 16475 -18433 -18433 -0.00045717 -0.00045717 0.00057146 21044 2024-05-07 19:06:05,231 INFO [main.py:798]
{rank 0/64} MD step = 11900 step time: 00:00:00.161979 Performance: 70.078 ns/day 0.342 hours/ns 4.055 steps/s 2024-05-07 19:06:11,478 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 151.43 -1847.1 16596 -18444 -18444 -0.00043812 -0.00053336 0.00022858 21208 2024-05-07 19:06:27,087 INFO [main.py:798]
{rank 0/64} MD step = 12000 step time: 00:00:00.151747 Performance: 70.144 ns/day 0.342 hours/ns 4.059 steps/s 2024-05-07 19:06:33,204 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 150.48 -1824.4 16493 -18317 -18317 -0.00041907 -0.00043336 0.00030478 21385 2024-05-07 19:06:48,865 INFO [main.py:798]
{rank 0/64} MD step = 12100 step time: 00:00:00.159162 Performance: 70.212 ns/day 0.342 hours/ns 4.063 steps/s 2024-05-07 19:06:58,355 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 150.36 -1836.6 16480 -18317 -18317 -0.00060956 -0.00063813 0.00083814 21504 2024-05-07 19:07:13,553 INFO [main.py:798]
{rank 0/64} MD step = 12200 step time: 00:00:00.149738 Performance: 70.210 ns/day 0.342 hours/ns 4.063 steps/s 2024-05-07 19:07:21,064 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 150.95 -1634.4 16544 -18178 -18178 -0.00057146 -0.00099053 0.00038097 21665 2024-05-07 19:07:36,612 INFO [main.py:798]
{rank 0/64} MD step = 12300 step time: 00:00:00.153249 Performance: 70.246 ns/day 0.342 hours/ns 4.065 steps/s 2024-05-07 19:07:43,307 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 148.13 -2177.5 16235 -18413 -18413 -0.00019049 -0.00060956 0.0007429 21797 2024-05-07 19:07:58,901 INFO [main.py:798]
{rank 0/64} MD step = 12400 step time: 00:00:00.149857 Performance: 70.299 ns/day 0.341 hours/ns 4.068 steps/s 2024-05-07 19:08:05,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12400 2480 150.47 -1891 16492 -18383 -18383 -0.00037145 -0.00064766 0.00072385 21976 2024-05-07 19:08:21,840 INFO [main.py:798]
{rank 0/64} MD step = 12500 step time: 00:00:00.157683 Performance: 70.337 ns/day 0.341 hours/ns 4.070 steps/s 2024-05-07 19:08:31,857 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 149.43 -1940.9 16378 -18319 -18319 -0.00049527 -0.00047622 0.00052384 22130 2024-05-07 19:08:47,855 INFO [main.py:798]
{rank 0/64} MD step = 12600 step time: 00:00:00.153990 Performance: 70.304 ns/day 0.341 hours/ns 4.069 steps/s 2024-05-07 19:08:54,967 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 150.65 -1828.5 16512 -18340 -18340 -0.00082862 -0.00080005 0.00055241 22286 2024-05-07 19:09:10,484 INFO [main.py:798]
{rank 0/64} MD step = 12700 step time: 00:00:00.145161 Performance: 70.348 ns/day 0.341 hours/ns 4.071 steps/s 2024-05-07 19:09:27,014 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 148.28 -2079 16251 -18330 -18330 -0.0007048 -0.00072385 0.00081909 22453 2024-05-07 19:09:43,129 INFO [main.py:798]
{rank 0/64} MD step = 12800 step time: 00:00:00.157996 Performance: 70.167 ns/day 0.342 hours/ns 4.061 steps/s 2024-05-07 19:09:50,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12800 2560 150.67 -2072.1 16514 -18586 -18586 -0.00060003 -0.00044764 0.00064766 22577 2024-05-07 19:10:06,943 INFO [main.py:798]
{rank 0/64} MD step = 12900 step time: 00:00:00.165030 Performance: 70.185 ns/day 0.342 hours/ns 4.062 steps/s 2024-05-07 19:10:22,795 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 149.5 -2197.5 16386 -18583 -18583 -0.00076195 -0.00038097 0.00060956 22758 2024-05-07 19:10:38,639 INFO [main.py:798]
{rank 0/64} MD step = 13000 step time: 00:00:00.159684 Performance: 70.031 ns/day 0.343 hours/ns 4.053 steps/s 2024-05-07 19:10:43,644 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 149.3 -2182.9 16363 -18546 -18546 -0.00026192 -0.0002524 0.00072385 22906 2024-05-07 19:10:59,504 INFO [main.py:798]
{rank 0/64} MD step = 13100 step time: 00:00:00.163745 Performance: 70.113 ns/day 0.342 hours/ns 4.057 steps/s 2024-05-07 19:11:05,585 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 149.19 -2215.6 16351 -18567 -18567 -0.00060956 -0.00019049 0.00087624 23122 2024-05-07 19:11:21,287 INFO [main.py:798]
{rank 0/64} MD step = 13200 step time: 00:00:00.162279 Performance: 70.175 ns/day 0.342 hours/ns 4.061 steps/s 2024-05-07 19:11:26,913 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 149.25 -1947.8 16357 -18305 -18305 -0.00091434 -0.00091434 0.00079052 23285 2024-05-07 19:11:42,525 INFO [main.py:798]
{rank 0/64} MD step = 13300 step time: 00:00:00.167827 Performance: 70.248 ns/day 0.342 hours/ns 4.065 steps/s 2024-05-07 19:11:47,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13300 2660 151.14 -2133.2 16565 -18698 -18698 -0.00060956 -0.00064766 0.00076195 23480 2024-05-07 19:12:02,913 INFO [main.py:798]
{rank 0/64} MD step = 13400 step time: 00:00:00.151444 Performance: 70.337 ns/day 0.341 hours/ns 4.070 steps/s 2024-05-07 19:12:08,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13400 2680 150.59 -1985.7 16505 -18491 -18491 -0.00027621 -0.00049527 0.00080957 23606 2024-05-07 19:12:24,137 INFO [main.py:798]
{rank 0/64} MD step = 13500 step time: 00:00:00.160175 Performance: 70.408 ns/day 0.341 hours/ns 4.075 steps/s 2024-05-07 19:12:31,540 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 150.14 -2201.8 16456 -18658 -18658 -0.0011048 -0.00081909 0.00053336 23772 2024-05-07 19:12:46,501 INFO [main.py:798]
{rank 0/64} MD step = 13600 step time: 00:00:00.155052 Performance: 70.454 ns/day 0.341 hours/ns 4.077 steps/s 2024-05-07 19:12:52,411 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 151.67 -1766 16623 -18389 -18389 -0.00076195 -0.00051431 0.00076195 23946 2024-05-07 19:13:07,198 INFO [main.py:798]
{rank 0/64} MD step = 13700 step time: 00:00:00.163554 Performance: 70.535 ns/day 0.340 hours/ns 4.082 steps/s 2024-05-07 19:13:12,468 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 150.65 -1953.5 16511 -18465 -18465 -0.00083814 -0.00064766 3.8097e-05 24086 2024-05-07 19:13:27,407 INFO [main.py:798]
{rank 0/64} MD step = 13800 step time: 00:00:00.161628 Performance: 70.624 ns/day 0.340 hours/ns 4.087 steps/s 2024-05-07 19:13:32,695 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 151.84 -1784.6 16642 -18427 -18427 -0.00054289 -0.00057146 0.00073337 24272 2024-05-07 19:13:48,113 INFO [main.py:798]
{rank 0/64} MD step = 13900 step time: 00:00:00.149451 Performance: 70.703 ns/day 0.339 hours/ns 4.092 steps/s 2024-05-07 19:13:54,280 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 147.15 -2228.8 16128 -18356 -18356 -0.00053336 -0.0003143 0.00080005 24444 2024-05-07 19:14:09,947 INFO [main.py:798]
{rank 0/64} MD step = 14000 step time: 00:00:00.153009 Performance: 70.756 ns/day 0.339 hours/ns 4.095 steps/s 2024-05-07 19:14:14,725 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 149.96 -1833.2 16436 -18269 -18269 -0.00068575 -0.00053336 0.00072385 24589 2024-05-07 19:14:32,029 INFO [main.py:798]
{rank 0/64} MD step = 14100 step time: 00:00:00.147220 Performance: 70.805 ns/day 0.339 hours/ns 4.097 steps/s 2024-05-07 19:14:37,921 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 149.91 -2135.7 16430 -18566 -18566 -0.00080005 -0.00060956 0.00055241 24752 2024-05-07 19:14:53,573 INFO [main.py:798]
{rank 0/64} MD step = 14200 step time: 00:00:00.137919 Performance: 70.863 ns/day 0.339 hours/ns 4.101 steps/s 2024-05-07 19:15:01,234 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 149.11 -2006 16342 -18348 -18348 -0.00091434 -0.00057146 0.0007048 24901 2024-05-07 19:15:16,989 INFO [main.py:798]
{rank 0/64} MD step = 14300 step time: 00:00:00.158263 Performance: 70.883 ns/day 0.339 hours/ns 4.102 steps/s 2024-05-07 19:15:24,487 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 147.37 -2106.2 16152 -18258 -18258 -0.00038097 -0.0006667 0.00057146 25051 2024-05-07 19:15:40,103 INFO [main.py:798]
{rank 0/64} MD step = 14400 step time: 00:00:00.146032 Performance: 70.908 ns/day 0.338 hours/ns 4.103 steps/s 2024-05-07 19:15:46,848 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 148.96 -2221.1 16326 -18547 -18547 -0.000781 -0.00060956 0.00057146 25172 2024-05-07 19:16:02,797 INFO [main.py:798]
{rank 0/64} MD step = 14500 step time: 00:00:00.156851 Performance: 70.942 ns/day 0.338 hours/ns 4.105 steps/s 2024-05-07 19:16:09,424 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 149.76 -1795.7 16414 -18209 -18209 -0.00028573 -0.00093339 0.00053336 25355 2024-05-07 19:16:27,014 INFO [main.py:798]
{rank 0/64} MD step = 14600 step time: 00:00:00.160258 Performance: 70.945 ns/day 0.338 hours/ns 4.106 steps/s 2024-05-07 19:16:33,967 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 150.58 -1720.1 16504 -18224 -18224 -0.00091434 -0.00038097 0.00049527 25523 2024-05-07 19:16:50,351 INFO [main.py:798]
{rank 0/64} MD step = 14700 step time: 00:00:00.164812 Performance: 70.965 ns/day 0.338 hours/ns 4.107 steps/s 2024-05-07 19:16:56,622 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 149.27 -1921.1 16360 -18281 -18281 -0.00072385 -0.00040002 0.00059051 25679 2024-05-07 19:17:12,482 INFO [main.py:798]
{rank 0/64} MD step = 14800 step time: 00:00:00.157686 Performance: 71.009 ns/day 0.338 hours/ns 4.109 steps/s 2024-05-07 19:17:20,289 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 148.82 -2128.7 16311 -18439 -18439 -0.00060956 -0.00030478 0.00068575 25799 2024-05-07 19:17:36,438 INFO [main.py:798]
{rank 0/64} MD step = 14900 step time: 00:00:00.160814 Performance: 71.016 ns/day 0.338 hours/ns 4.110 steps/s 2024-05-07 19:17:42,143 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 148.56 -1828 16282 -18110 -18110 -0.00062861 -0.00064766 0.00072385 25914 2024-05-07 19:17:58,088 INFO [main.py:798]
{rank 0/64} MD step = 15000 step time: 00:00:00.158239 Performance: 71.068 ns/day 0.338 hours/ns 4.113 steps/s 2024-05-07 19:18:03,361 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 151.13 -1721 16564 -18285 -18285 -0.00060956 -0.00050479 0.00061908 26098 2024-05-07 19:18:20,327 INFO [main.py:798]
{rank 0/64} MD step = 15100 step time: 00:00:00.175058 Performance: 71.109 ns/day 0.338 hours/ns 4.115 steps/s 2024-05-07 19:18:31,596 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 148.97 -2039.1 16327 -18366 -18366 -0.00071909 -0.00034288 0.00059051 26247 2024-05-07 19:18:47,366 INFO [main.py:798]
{rank 0/64} MD step = 15200 step time: 00:00:00.151343 Performance: 71.056 ns/day 0.338 hours/ns 4.112 steps/s 2024-05-07 19:18:54,316 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 148.5 -1995.5 16276 -18271 -18271 -0.00091434 -0.00091434 0.00045717 26433 2024-05-07 19:19:10,680 INFO [main.py:798]
{rank 0/64} MD step = 15300 step time: 00:00:00.157598 Performance: 71.075 ns/day 0.338 hours/ns 4.113 steps/s 2024-05-07 19:19:16,359 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 149.76 -1908.2 16414 -18322 -18322 -0.00057146 -0.00068575 0.00034288 26586 2024-05-07 19:19:32,130 INFO [main.py:798]
{rank 0/64} MD step = 15400 step time: 00:00:00.151527 Performance: 71.129 ns/day 0.337 hours/ns 4.116 steps/s 2024-05-07 19:19:38,444 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 151.16 -1625.5 16567 -18192 -18192 -0.00040002 -0.00068575 0.00080005 26766 2024-05-07 19:19:54,020 INFO [main.py:798]
{rank 0/64} MD step = 15500 step time: 00:00:00.159068 Performance: 71.175 ns/day 0.337 hours/ns 4.119 steps/s 2024-05-07 19:20:02,680 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 149.95 -2092.1 16435 -18527 -18527 -0.00049527 -0.00076195 0.00051431 26858 2024-05-07 19:20:18,230 INFO [main.py:798]
{rank 0/64} MD step = 15600 step time: 00:00:00.157203 Performance: 71.176 ns/day 0.337 hours/ns 4.119 steps/s 2024-05-07 19:20:24,744 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 152.21 -1599.5 16683 -18282 -18282 -0.00049527 -0.0010667 0.00047622 27039 2024-05-07 19:20:40,343 INFO [main.py:798]
{rank 0/64} MD step = 15700 step time: 00:00:00.164749 Performance: 71.217 ns/day 0.337 hours/ns 4.121 steps/s 2024-05-07 19:20:46,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15700 3140 150.97 -1799.3 16546 -18345 -18345 -0.00060956 -0.00083814 0.00061908 27177 2024-05-07 19:21:02,484 INFO [main.py:798]
{rank 0/64} MD step = 15800 step time: 00:00:00.161520 Performance: 71.256 ns/day 0.337 hours/ns 4.124 steps/s 2024-05-07 19:21:06,698 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 148.91 -2295.2 16321 -18616 -18616 -0.00068575 -0.00040002 0.00026668 27319 2024-05-07 19:21:22,500 INFO [main.py:798]
{rank 0/64} MD step = 15900 step time: 00:00:00.150778 Performance: 71.334 ns/day 0.336 hours/ns 4.128 steps/s 2024-05-07 19:21:28,560 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 147.82 -2180.9 16201 -18382 -18382 -0.00047622 -0.00073337 0.00072385 27500 2024-05-07 19:21:44,230 INFO [main.py:798]
{rank 0/64} MD step = 16000 step time: 00:00:00.146605 Performance: 71.380 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 19:21:52,150 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 151.12 -1708.7 16563 -18271 -18271 -0.00060956 -0.00085719 0.00046669 27666 2024-05-07 19:22:08,082 INFO [main.py:798]
{rank 0/64} MD step = 16100 step time: 00:00:00.154953 Performance: 71.387 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 19:22:15,041 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 150.17 -1983.8 16459 -18443 -18443 -0.00062861 -0.00072385 0.00055241 27803 2024-05-07 19:22:30,400 INFO [main.py:798]
{rank 0/64} MD step = 16200 step time: 00:00:00.135518 Performance: 71.421 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 19:22:44,409 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 150.71 -2012.5 16518 -18531 -18531 -0.00091434 -0.00071909 0.00094291 27924 2024-05-07 19:23:00,169 INFO [main.py:798]
{rank 0/64} MD step = 16300 step time: 00:00:00.159809 Performance: 71.320 ns/day 0.337 hours/ns 4.127 steps/s 2024-05-07 19:23:06,936 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 151.1 -1691.8 16561 -18253 -18253 -0.00095243 -0.00044764 0.00076195 28067 2024-05-07 19:23:22,327 INFO [main.py:798]
{rank 0/64} MD step = 16400 step time: 00:00:00.159687 Performance: 71.358 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 19:23:27,920 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 149.87 -2034.8 16426 -18461 -18461 -0.00054289 -0.00068575 0.00049527 28198 2024-05-07 19:23:43,642 INFO [main.py:798]
{rank 0/64} MD step = 16500 step time: 00:00:00.150260 Performance: 71.409 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 19:23:50,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16500 3300 150.28 -1759.3 16471 -18230 -18230 -0.000781 -0.00038097 0.00030478 28376 2024-05-07 19:24:06,068 INFO [main.py:798]
{rank 0/64} MD step = 16600 step time: 00:00:00.152725 Performance: 71.441 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 19:24:11,103 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 148.64 -1883.7 16291 -18175 -18175 -0.00053336 -0.00043812 0.00068575 28554 2024-05-07 19:24:27,217 INFO [main.py:798]
{rank 0/64} MD step = 16700 step time: 00:00:00.156303 Performance: 71.495 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 19:24:33,724 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 148.85 -2000.4 16315 -18315 -18315 -0.00060956 -0.00062861 0.00063813 28670 2024-05-07 19:24:49,510 INFO [main.py:798]
{rank 0/64} MD step = 16800 step time: 00:00:00.143249 Performance: 71.528 ns/day 0.336 hours/ns 4.139 steps/s 2024-05-07 19:24:55,589 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 150.04 -1864.8 16445 -18310 -18310 -0.0007048 -0.0010096 0.00076195 28872 2024-05-07 19:25:11,864 INFO [main.py:798]
{rank 0/64} MD step = 16900 step time: 00:00:00.154693 Performance: 71.559 ns/day 0.335 hours/ns 4.141 steps/s 2024-05-07 19:25:16,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16900 3380 148.79 -2125.6 16308 -18433 -18433 -0.00064766 9.5243e-05 0.00080005 29000 2024-05-07 19:25:34,854 INFO [main.py:798]
{rank 0/64} MD step = 17000 step time: 00:00:00.166209 Performance: 71.580 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 19:25:40,378 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 150.62 -1980.4 16508 -18488 -18488 -0.00099053 -0.00072385 0.00063813 29182 2024-05-07 19:25:56,942 INFO [main.py:798]
{rank 0/64} MD step = 17100 step time: 00:00:00.162685 Performance: 71.615 ns/day 0.335 hours/ns 4.144 steps/s 2024-05-07 19:26:03,088 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 150.15 -2082.8 16457 -18539 -18539 -0.00053336 -0.00026668 0.00045717 29315 2024-05-07 19:26:19,397 INFO [main.py:798]
{rank 0/64} MD step = 17200 step time: 00:00:00.161142 Performance: 71.644 ns/day 0.335 hours/ns 4.146 steps/s 2024-05-07 19:26:24,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17200 3440 149.11 -2128.6 16343 -18471 -18471 -0.000781 -0.00060956 0.00021906 29490 2024-05-07 19:26:40,495 INFO [main.py:798]
{rank 0/64} MD step = 17300 step time: 00:00:00.168121 Performance: 71.696 ns/day 0.335 hours/ns 4.149 steps/s 2024-05-07 19:26:46,877 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 150.93 -1878.7 16542 -18421 -18421 -0.00026668 -0.00095243 0.00053336 29630 2024-05-07 19:27:05,291 INFO [main.py:798]
{rank 0/64} MD step = 17400 step time: 00:00:00.159850 Performance: 71.684 ns/day 0.335 hours/ns 4.148 steps/s 2024-05-07 19:27:12,248 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 149.1 -2112.7 16342 -18455 -18455 -0.00060956 -0.00060956 0.00036193 29777 2024-05-07 19:27:27,925 INFO [main.py:798]
{rank 0/64} MD step = 17500 step time: 00:00:00.158747 Performance: 71.709 ns/day 0.335 hours/ns 4.150 steps/s 2024-05-07 19:27:34,059 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 149.87 -1992.4 16426 -18418 -18418 -0.00048098 -0.00076195 0.00068575 29918 2024-05-07 19:27:49,865 INFO [main.py:798]
{rank 0/64} MD step = 17600 step time: 00:00:00.152133 Performance: 71.746 ns/day 0.335 hours/ns 4.152 steps/s 2024-05-07 19:27:54,602 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 149.63 -1983.5 16400 -18383 -18383 -0.0003143 -0.00047622 0.00091434 30111 2024-05-07 19:28:15,999 INFO [main.py:798]
{rank 0/64} MD step = 17700 step time: 00:00:00.155629 Performance: 71.711 ns/day 0.335 hours/ns 4.150 steps/s 2024-05-07 19:28:21,148 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 149.56 -2118.6 16392 -18511 -18511 -0.00057146 -0.0004286 0.00060956 30296 2024-05-07 19:28:37,446 INFO [main.py:798]
{rank 0/64} MD step = 17800 step time: 00:00:00.147898 Performance: 71.756 ns/day 0.334 hours/ns 4.153 steps/s 2024-05-07 19:28:49,645 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 153.53 -1614.1 16827 -18441 -18441 -0.0007429 -0.00062861 0.00054289 30437 2024-05-07 19:29:05,213 INFO [main.py:798]
{rank 0/64} MD step = 17900 step time: 00:00:00.156709 Performance: 71.694 ns/day 0.335 hours/ns 4.149 steps/s 2024-05-07 19:29:38,392 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 151.09 -1741.5 16560 -18301 -18301 -0.00068575 -0.0007429 0.00036193 30601 2024-05-07 19:29:54,490 INFO [main.py:798]
{rank 0/64} MD step = 18000 step time: 00:00:00.153923 Performance: 71.281 ns/day 0.337 hours/ns 4.125 steps/s 2024-05-07 19:30:03,277 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 150.33 -1692.1 16477 -18169 -18169 -0.00049527 -0.00077147 0.00060956 30773 2024-05-07 19:30:19,717 INFO [main.py:798]
{rank 0/64} MD step = 18100 step time: 00:00:00.159118 Performance: 71.265 ns/day 0.337 hours/ns 4.124 steps/s 2024-05-07 19:30:25,067 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 150.77 -1965.8 16525 -18490 -18490 -0.00055241 -0.00088576 0.00076195 30908 2024-05-07 19:30:42,518 INFO [main.py:798]
{rank 0/64} MD step = 18200 step time: 00:00:00.153035 Performance: 71.288 ns/day 0.337 hours/ns 4.125 steps/s 2024-05-07 19:30:55,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18200 3640 149.47 -2092.3 16382 -18475 -18475 -0.00051431 -0.00076195 0.00076195 31067 2024-05-07 19:31:12,343 INFO [main.py:798]
{rank 0/64} MD step = 18300 step time: 00:00:00.159372 Performance: 71.198 ns/day 0.337 hours/ns 4.120 steps/s 2024-05-07 19:31:28,746 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 151.99 -1873.1 16659 -18532 -18532 -0.00072385 -0.0007048 0.00043812 31220 2024-05-07 19:31:43,397 INFO [main.py:798]
{rank 0/64} MD step = 18400 step time: 00:00:00.148636 Performance: 71.090 ns/day 0.338 hours/ns 4.114 steps/s 2024-05-07 19:31:58,412 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 148.52 -2111.2 16278 -18389 -18389 -0.00091434 -0.00041907 0.00087624 31353 2024-05-07 19:32:14,200 INFO [main.py:798]
{rank 0/64} MD step = 18500 step time: 00:00:00.161057 Performance: 70.988 ns/day 0.338 hours/ns 4.108 steps/s 2024-05-07 19:32:21,449 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 150.73 -1973.4 16520 -18493 -18493 -0.00041907 -0.00087624 0.0007429 31569 2024-05-07 19:32:37,081 INFO [main.py:798]
{rank 0/64} MD step = 18600 step time: 00:00:00.159563 Performance: 71.011 ns/day 0.338 hours/ns 4.109 steps/s 2024-05-07 19:32:48,474 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 150.29 -1931.6 16472 -18403 -18403 -0.00090481 -0.00053336 0.00068575 31757 2024-05-07 19:33:04,473 INFO [main.py:798]
{rank 0/64} MD step = 18700 step time: 00:00:00.160121 Performance: 70.963 ns/day 0.338 hours/ns 4.107 steps/s 2024-05-07 19:33:12,382 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 147.48 -2309.8 16164 -18474 -18474 -0.00076195 -0.00077147 0.00032383 31895 2024-05-07 19:33:28,582 INFO [main.py:798]
{rank 0/64} MD step = 18800 step time: 00:00:00.155882 Performance: 70.967 ns/day 0.338 hours/ns 4.107 steps/s 2024-05-07 19:33:34,578 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 149.84 -1943 16423 -18366 -18366 -0.00091434 -0.0007429 0.00083814 32037 2024-05-07 19:33:50,654 INFO [main.py:798]
{rank 0/64} MD step = 18900 step time: 00:00:00.148869 Performance: 71.002 ns/day 0.338 hours/ns 4.109 steps/s 2024-05-07 19:34:04,535 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 151.7 -1905.4 16626 -18532 -18532 -0.00060956 -0.0006667 0.00080005 32211 2024-05-07 19:34:19,202 INFO [main.py:798]
{rank 0/64} MD step = 19000 step time: 00:00:00.147964 Performance: 70.937 ns/day 0.338 hours/ns 4.105 steps/s 2024-05-07 19:34:23,512 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 149.03 -2097.2 16334 -18431 -18431 -0.00094291 -0.00045717 0.00089529 32346 2024-05-07 19:34:41,091 INFO [main.py:798]
{rank 0/64} MD step = 19100 step time: 00:00:00.139765 Performance: 70.975 ns/day 0.338 hours/ns 4.107 steps/s 2024-05-07 19:34:50,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19100 3820 150.12 -2132.5 16453 -18586 -18586 -0.00060956 -0.00081909 0.00053336 32491 2024-05-07 19:35:06,691 INFO [main.py:798]
{rank 0/64} MD step = 19200 step time: 00:00:00.160049 Performance: 70.956 ns/day 0.338 hours/ns 4.106 steps/s 2024-05-07 19:35:12,564 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 149.32 -2164.7 16366 -18531 -18531 -0.0004286 -0.00038097 0.00045717 32626 2024-05-07 19:35:28,455 INFO [main.py:798]
{rank 0/64} MD step = 19300 step time: 00:00:00.154588 Performance: 70.995 ns/day 0.338 hours/ns 4.109 steps/s 2024-05-07 19:35:34,602 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 145.48 -2341.3 15945 -18287 -18287 -0.00076195 -0.00091434 0.00049527 32811 2024-05-07 19:35:50,243 INFO [main.py:798]
{rank 0/64} MD step = 19400 step time: 00:00:00.142450 Performance: 71.034 ns/day 0.338 hours/ns 4.111 steps/s 2024-05-07 19:35:55,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19400 3880 150.32 -2118 16475 -18593 -18593 -0.00076195 -0.00076195 0.00030478 32951 2024-05-07 19:36:11,113 INFO [main.py:798]
{rank 0/64} MD step = 19500 step time: 00:00:00.157058 Performance: 71.085 ns/day 0.338 hours/ns 4.114 steps/s 2024-05-07 19:36:16,905 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 148.65 -2056.1 16292 -18348 -18348 -0.00036193 -0.00053336 0.00099053 33160 2024-05-07 19:36:33,002 INFO [main.py:798]
{rank 0/64} MD step = 19600 step time: 00:00:00.141241 Performance: 71.121 ns/day 0.337 hours/ns 4.116 steps/s 2024-05-07 19:36:37,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19600 3920 152.03 -1682.2 16663 -18345 -18345 -0.00068575 -0.00029525 0.00041907 33288 2024-05-07 19:36:57,113 INFO [main.py:798]
{rank 0/64} MD step = 19700 step time: 00:00:00.138296 Performance: 71.124 ns/day 0.337 hours/ns 4.116 steps/s 2024-05-07 19:37:05,090 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 150.58 -1811.7 16504 -18315 -18315 -0.00091434 -0.00030478 0.00049527 33486 2024-05-07 19:37:21,342 INFO [main.py:798]
{rank 0/64} MD step = 19800 step time: 00:00:00.133530 Performance: 71.125 ns/day 0.337 hours/ns 4.116 steps/s 2024-05-07 19:37:27,456 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 151.49 -1704 16604 -18308 -18308 -0.000781 -0.00086672 0.00044764 33634 2024-05-07 19:37:43,576 INFO [main.py:798]
{rank 0/64} MD step = 19900 step time: 00:00:00.143546 Performance: 71.156 ns/day 0.337 hours/ns 4.118 steps/s 2024-05-07 19:37:49,032 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 151.1 -1749.3 16561 -18310 -18310 -0.00053336 -0.00064766 0.00068575 33817 2024-05-07 19:38:05,535 INFO [main.py:798]
{rank 0/64} MD step = 20000 step time: 00:00:00.156463 Performance: 71.190 ns/day 0.337 hours/ns 4.120 steps/s 2024-05-07 19:38:09,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20000 4000 150.33 -1879.8 16477 -18357 -18357 -0.00045717 -0.00045717 0.00048574 33982 2024-05-07 19:38:27,177 INFO [main.py:798]
{rank 0/64} MD step = 20100 step time: 00:00:00.158888 Performance: 71.228 ns/day 0.337 hours/ns 4.122 steps/s 2024-05-07 19:38:32,477 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 150.77 -1907.1 16524 -18431 -18431 -0.0007048 -0.00020954 0.00057146 34138 2024-05-07 19:38:48,181 INFO [main.py:798]
{rank 0/64} MD step = 20200 step time: 00:00:00.145949 Performance: 71.275 ns/day 0.337 hours/ns 4.125 steps/s 2024-05-07 19:38:57,197 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 149.7 -1886.4 16408 -18294 -18294 -0.00060956 -0.00057146 0.00036193 34325 2024-05-07 19:39:13,303 INFO [main.py:798]
{rank 0/64} MD step = 20300 step time: 00:00:00.158334 Performance: 71.263 ns/day 0.337 hours/ns 4.124 steps/s 2024-05-07 19:39:18,477 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 149.87 -1867.2 16426 -18293 -18293 -0.00099053 -0.00077147 0.00053336 34555 2024-05-07 19:39:34,712 INFO [main.py:798]
{rank 0/64} MD step = 20400 step time: 00:00:00.151704 Performance: 71.304 ns/day 0.337 hours/ns 4.126 steps/s 2024-05-07 19:39:39,094 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 150.3 -1928.6 16473 -18402 -18402 -0.00064766 -0.00064766 0.00032383 34697 2024-05-07 19:39:57,366 INFO [main.py:798]
{rank 0/64} MD step = 20500 step time: 00:00:00.151891 Performance: 71.326 ns/day 0.336 hours/ns 4.128 steps/s 2024-05-07 19:40:03,754 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 150.83 -1904.8 16531 -18436 -18436 -0.00068575 -0.00053336 0.00060956 34865 2024-05-07 19:40:19,625 INFO [main.py:798]
{rank 0/64} MD step = 20600 step time: 00:00:00.155308 Performance: 71.354 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 19:40:27,074 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 150.8 -1808.6 16528 -18336 -18336 -0.00032383 -0.00054289 0.00055241 35014 2024-05-07 19:40:42,850 INFO [main.py:798]
{rank 0/64} MD step = 20700 step time: 00:00:00.146997 Performance: 71.369 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 19:40:51,307 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 149.21 -2105.4 16353 -18459 -18459 -0.00045717 -0.00037621 0.00026668 35224 2024-05-07 19:41:07,692 INFO [main.py:798]
{rank 0/64} MD step = 20800 step time: 00:00:00.144492 Performance: 71.360 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 19:41:18,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20800 4160 148.1 -2140.8 16232 -18372 -18372 -0.00081909 -0.00062861 0.00068575 35377 2024-05-07 19:41:34,372 INFO [main.py:798]
{rank 0/64} MD step = 20900 step time: 00:00:00.157343 Performance: 71.325 ns/day 0.336 hours/ns 4.128 steps/s 2024-05-07 19:41:42,243 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 149.7 -1890.3 16408 -18298 -18298 -0.00060956 -0.00091434 0.00060956 35538 2024-05-07 19:41:57,709 INFO [main.py:798]
{rank 0/64} MD step = 21000 step time: 00:00:00.153756 Performance: 71.337 ns/day 0.336 hours/ns 4.128 steps/s 2024-05-07 19:42:01,471 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 152.46 -1760.6 16710 -18470 -18470 -0.00038097 -0.00068575 0.00045717 35720 2024-05-07 19:42:19,398 INFO [main.py:798]
{rank 0/64} MD step = 21100 step time: 00:00:00.143988 Performance: 71.373 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 19:42:25,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21100 4220 148.18 -2091.1 16241 -18332 -18332 -0.00080005 -0.00057146 0.00056194 35860 2024-05-07 19:42:41,391 INFO [main.py:798]
{rank 0/64} MD step = 21200 step time: 00:00:00.146000 Performance: 71.404 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 19:42:47,570 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 149.7 -1815.5 16407 -18223 -18223 -0.00030478 -0.00085719 0.00053336 36042 2024-05-07 19:43:03,773 INFO [main.py:798]
{rank 0/64} MD step = 21300 step time: 00:00:00.151207 Performance: 71.429 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 19:43:09,749 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 150.45 -1657.7 16490 -18147 -18147 -0.00068575 -0.00041907 0.00080005 36203 2024-05-07 19:43:25,277 INFO [main.py:798]
{rank 0/64} MD step = 21400 step time: 00:00:00.165952 Performance: 71.466 ns/day 0.336 hours/ns 4.136 steps/s 2024-05-07 19:43:31,930 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 149.91 -1708.7 16430 -18139 -18139 -0.0006667 -0.00053336 0.00072385 36330 2024-05-07 19:43:47,417 INFO [main.py:798]
{rank 0/64} MD step = 21500 step time: 00:00:00.160106 Performance: 71.494 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 19:43:53,337 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 150.07 -1749.3 16447 -18197 -18197 -0.00034288 -0.00053336 0.00040002 36496 2024-05-07 19:44:08,828 INFO [main.py:798]
{rank 0/64} MD step = 21600 step time: 00:00:00.156690 Performance: 71.532 ns/day 0.336 hours/ns 4.140 steps/s 2024-05-07 19:44:14,423 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 146.88 -2293.5 16098 -18392 -18392 -0.00061908 -0.00053336 0.00020954 36671 2024-05-07 19:44:29,727 INFO [main.py:798]
{rank 0/64} MD step = 21700 step time: 00:00:00.150156 Performance: 71.576 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 19:44:38,005 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 150.42 -2154.8 16486 -18641 -18641 -0.00060956 -0.00049527 0.00044764 36801 2024-05-07 19:44:53,209 INFO [main.py:798]
{rank 0/64} MD step = 21800 step time: 00:00:00.150618 Performance: 71.585 ns/day 0.335 hours/ns 4.143 steps/s 2024-05-07 19:45:00,193 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 151.4 -1855.9 16593 -18449 -18449 -0.00064766 -0.00040002 0.00064766 36973 2024-05-07 19:45:16,037 INFO [main.py:798]
{rank 0/64} MD step = 21900 step time: 00:00:00.156849 Performance: 71.603 ns/day 0.335 hours/ns 4.144 steps/s 2024-05-07 19:45:22,526 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 151.93 -1807.1 16651 -18458 -18458 -0.00053336 -0.00076195 0.00051431 37114 2024-05-07 19:45:39,680 INFO [main.py:798]
{rank 0/64} MD step = 22000 step time: 00:00:00.161449 Performance: 71.610 ns/day 0.335 hours/ns 4.144 steps/s 2024-05-07 19:45:46,358 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 151.21 -1674.1 16573 -18247 -18247 -0.00025716 -0.00092386 0.00048574 37306 2024-05-07 19:46:02,426 INFO [main.py:798]
{rank 0/64} MD step = 22100 step time: 00:00:00.160260 Performance: 71.628 ns/day 0.335 hours/ns 4.145 steps/s 2024-05-07 19:46:09,656 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 151.38 -1993 16591 -18584 -18584 -0.00046669 -0.00060956 0.00047622 37446 2024-05-07 19:46:26,069 INFO [main.py:798]
{rank 0/64} MD step = 22200 step time: 00:00:00.161699 Performance: 71.635 ns/day 0.335 hours/ns 4.146 steps/s 2024-05-07 19:46:33,294 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 148.72 -2174.7 16299 -18474 -18474 -0.00046669 -0.00076195 0.00045717 37619 2024-05-07 19:46:49,631 INFO [main.py:798]
{rank 0/64} MD step = 22300 step time: 00:00:00.158613 Performance: 71.642 ns/day 0.335 hours/ns 4.146 steps/s 2024-05-07 19:46:55,927 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 149.63 -2021.6 16400 -18422 -18422 -0.00041907 -0.00095243 0.00032383 37768 2024-05-07 19:47:11,448 INFO [main.py:798]
{rank 0/64} MD step = 22400 step time: 00:00:00.160693 Performance: 71.673 ns/day 0.335 hours/ns 4.148 steps/s 2024-05-07 19:47:26,270 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 146.93 -2381.8 16104 -18486 -18486 -0.00080005 -0.00081909 0.00080005 37982 2024-05-07 19:47:44,350 INFO [main.py:798]
{rank 0/64} MD step = 22500 step time: 00:00:00.152387 Performance: 71.557 ns/day 0.335 hours/ns 4.141 steps/s 2024-05-07 19:47:52,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22500 4500 154.42 -1530.3 16925 -18455 -18455 -0.00045717 -0.00067623 0.00061908 38186 2024-05-07 19:48:07,281 INFO [main.py:798]
{rank 0/64} MD step = 22600 step time: 00:00:00.152026 Performance: 71.573 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 19:48:12,887 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 149.34 -2247.1 16368 -18615 -18615 -0.00064766 -0.00087624 0.0007048 38328 2024-05-07 19:48:28,645 INFO [main.py:798]
{rank 0/64} MD step = 22700 step time: 00:00:00.150603 Performance: 71.609 ns/day 0.335 hours/ns 4.144 steps/s 2024-05-07 19:48:35,357 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 150.88 -1896 16536 -18432 -18432 -0.00049527 -0.00081909 0.00072385 38575 2024-05-07 19:48:51,150 INFO [main.py:798]
{rank 0/64} MD step = 22800 step time: 00:00:00.156123 Performance: 71.630 ns/day 0.335 hours/ns 4.145 steps/s 2024-05-07 19:49:00,225 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 151.08 -1699.2 16558 -18257 -18257 -0.00043812 -0.00085243 0.00060956 38705 2024-05-07 19:49:14,525 INFO [main.py:798]
{rank 0/64} MD step = 22900 step time: 00:00:00.144004 Performance: 71.640 ns/day 0.335 hours/ns 4.146 steps/s 2024-05-07 19:49:21,630 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 148.55 -1989.5 16281 -18270 -18270 -0.00060956 -0.00045717 0.00064766 38884 2024-05-07 19:49:39,490 INFO [main.py:798]
{rank 0/64} MD step = 23000 step time: 00:00:00.144602 Performance: 71.629 ns/day 0.335 hours/ns 4.145 steps/s 2024-05-07 19:49:46,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23000 4600 151.55 -1490 16610 -18100 -18100 -0.00087624 -0.00046669 0.00040002 39057 2024-05-07 19:50:02,956 INFO [main.py:798]
{rank 0/64} MD step = 23100 step time: 00:00:00.144932 Performance: 71.637 ns/day 0.335 hours/ns 4.146 steps/s 2024-05-07 19:50:22,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23100 4620 149.38 -2036.2 16373 -18409 -18409 -0.00041907 -0.00097148 0.00076195 39178 2024-05-07 19:50:38,161 INFO [main.py:798]
{rank 0/64} MD step = 23200 step time: 00:00:00.173968 Performance: 71.496 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 19:50:43,866 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 150.67 -1724.8 16513 -18238 -18238 -0.00045717 -0.00081909 0.00051431 39359 2024-05-07 19:50:59,526 INFO [main.py:798]
{rank 0/64} MD step = 23300 step time: 00:00:00.159973 Performance: 71.531 ns/day 0.336 hours/ns 4.140 steps/s 2024-05-07 19:51:06,843 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 151.07 -1738.9 16558 -18296 -18296 -0.00080005 -0.0004286 0.00076195 39514 2024-05-07 19:51:22,432 INFO [main.py:798]
{rank 0/64} MD step = 23400 step time: 00:00:00.168409 Performance: 71.547 ns/day 0.335 hours/ns 4.140 steps/s 2024-05-07 19:51:30,732 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 149.99 -1755.9 16439 -18194 -18194 -0.00045717 -0.00051431 0.00072385 39669 2024-05-07 19:51:46,183 INFO [main.py:798]
{rank 0/64} MD step = 23500 step time: 00:00:00.182686 Performance: 71.552 ns/day 0.335 hours/ns 4.141 steps/s 2024-05-07 19:51:57,330 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 149.82 -2193.8 16421 -18614 -18614 -0.00072385 -0.00060956 0.00053336 39832 2024-05-07 19:52:12,910 INFO [main.py:798]
{rank 0/64} MD step = 23600 step time: 00:00:00.145419 Performance: 71.520 ns/day 0.336 hours/ns 4.139 steps/s 2024-05-07 19:52:21,650 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 150.17 -1937.9 16458 -18396 -18396 -0.00072385 -0.00060956 0.00080005 39991 2024-05-07 19:52:37,018 INFO [main.py:798]
{rank 0/64} MD step = 23700 step time: 00:00:00.143321 Performance: 71.521 ns/day 0.336 hours/ns 4.139 steps/s 2024-05-07 19:52:47,974 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 148.82 -2288.5 16311 -18599 -18599 -0.00072385 -0.00060956 0.00030478 40168 2024-05-07 19:53:03,964 INFO [main.py:798]
{rank 0/64} MD step = 23800 step time: 00:00:00.158178 Performance: 71.486 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 19:53:10,121 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 148.89 -2075.7 16319 -18394 -18394 -0.00093339 -0.0007429 0.00076195 40365 2024-05-07 19:53:26,156 INFO [main.py:798]
{rank 0/64} MD step = 23900 step time: 00:00:00.173342 Performance: 71.511 ns/day 0.336 hours/ns 4.138 steps/s 2024-05-07 19:53:34,608 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 149.85 -1848.3 16424 -18272 -18272 -0.00053336 -0.0007048 0.00041907 40588 2024-05-07 19:53:49,801 INFO [main.py:798]
{rank 0/64} MD step = 24000 step time: 00:00:00.149312 Performance: 71.517 ns/day 0.336 hours/ns 4.139 steps/s 2024-05-07 19:54:08,170 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 152.39 -1564.1 16702 -18266 -18266 -0.00041907 -0.00080005 0.00038097 40714 2024-05-07 19:54:23,763 INFO [main.py:798]
{rank 0/64} MD step = 24100 step time: 00:00:00.149740 Performance: 71.397 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 19:54:31,206 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 152.71 -1576 16737 -18313 -18313 -0.00049527 -0.00076195 0.00091434 40888 2024-05-07 19:54:47,054 INFO [main.py:798]
{rank 0/64} MD step = 24200 step time: 00:00:00.143035 Performance: 71.408 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 19:54:59,847 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 146.37 -2205.4 16042 -18248 -18248 -0.00059051 -0.00047622 0.00041907 41074 2024-05-07 19:55:14,963 INFO [main.py:798]
{rank 0/64} MD step = 24300 step time: 00:00:00.153818 Performance: 71.363 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 19:55:21,211 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 148.5 -1951.2 16276 -18227 -18227 -0.00085719 -0.00029525 0.00060956 41247 2024-05-07 19:55:36,838 INFO [main.py:798]
{rank 0/64} MD step = 24400 step time: 00:00:00.143298 Performance: 71.391 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 19:55:43,911 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 152.29 -1804.1 16691 -18495 -18495 -0.00055717 -0.00091434 0.00026668 41394 2024-05-07 19:56:00,072 INFO [main.py:798]
{rank 0/64} MD step = 24500 step time: 00:00:00.176575 Performance: 71.403 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 19:56:05,888 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 148.13 -2210 16235 -18445 -18445 -0.00072385 -0.00060956 0.00072385 41602 2024-05-07 19:56:21,596 INFO [main.py:798]
{rank 0/64} MD step = 24600 step time: 00:00:00.157353 Performance: 71.435 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 19:56:28,436 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 151.6 -1830.5 16615 -18446 -18446 -0.00083814 -0.00043812 0.00061908 41785 2024-05-07 19:56:44,204 INFO [main.py:798]
{rank 0/64} MD step = 24700 step time: 00:00:00.165698 Performance: 71.454 ns/day 0.336 hours/ns 4.135 steps/s 2024-05-07 19:56:51,851 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 147.32 -2197.5 16146 -18344 -18344 -0.00080005 -0.00076195 0.00043812 41921 2024-05-07 19:57:07,357 INFO [main.py:798]
{rank 0/64} MD step = 24800 step time: 00:00:00.167417 Performance: 71.466 ns/day 0.336 hours/ns 4.136 steps/s 2024-05-07 19:57:20,776 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 147.89 -2124.1 16209 -18333 -18333 -0.00080957 -0.00022858 0.00080005 42086 2024-05-07 19:57:37,668 INFO [main.py:798]
{rank 0/64} MD step = 24900 step time: 00:00:00.160474 Performance: 71.393 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 19:57:45,836 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 149.31 -2177.6 16364 -18542 -18542 -0.00060956 -0.00060956 0.00049527 42260 2024-05-07 19:58:02,101 INFO [main.py:798]
{rank 0/64} MD step = 25000 step time: 00:00:00.162743 Performance: 71.391 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 19:58:06,667 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 149.31 -1936.5 16364 -18301 -18301 -0.00083814 -0.00045717 0.0007048 42423 2024-05-07 19:58:23,947 INFO [main.py:798]
{rank 0/64} MD step = 25100 step time: 00:00:00.160591 Performance: 71.418 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 19:58:31,348 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 150.02 -1914.1 16442 -18356 -18356 -0.00064766 -0.00077147 0.00072385 42543 2024-05-07 19:58:47,352 INFO [main.py:798]
{rank 0/64} MD step = 25200 step time: 00:00:00.158164 Performance: 71.428 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 19:58:56,303 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 149.19 -1885.4 16351 -18237 -18237 -0.00060956 -0.00057146 0.00032383 42715 2024-05-07 19:59:13,529 INFO [main.py:798]
{rank 0/64} MD step = 25300 step time: 00:00:00.153141 Performance: 71.405 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 19:59:23,455 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 150.93 -2009.4 16542 -18551 -18551 -0.00064766 -0.00080005 0.00068575 42853 2024-05-07 19:59:38,466 INFO [main.py:798]
{rank 0/64} MD step = 25400 step time: 00:00:00.156851 Performance: 71.396 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 19:59:47,154 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 150.8 -1984.9 16528 -18513 -18513 -0.00093339 -0.00045717 0.00053336 43050 2024-05-07 20:00:02,598 INFO [main.py:798]
{rank 0/64} MD step = 25500 step time: 00:00:00.162048 Performance: 71.397 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 20:00:08,670 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 149.7 -2389.5 16407 -18796 -18796 -0.00045717 -0.00063813 0.00049527 43127 2024-05-07 20:00:25,948 INFO [main.py:798]
{rank 0/64} MD step = 25600 step time: 00:00:00.161723 Performance: 71.407 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 20:00:36,173 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 151.69 -1869.5 16626 -18495 -18495 -0.00051431 -0.00053336 0.00019049 43371 2024-05-07 20:00:51,646 INFO [main.py:798]
{rank 0/64} MD step = 25700 step time: 00:00:00.140491 Performance: 71.389 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:01:00,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25700 5140 146.95 -2346.4 16106 -18452 -18452 -0.00040002 -0.00049527 0.00072385 43476 2024-05-07 20:01:16,179 INFO [main.py:798]
{rank 0/64} MD step = 25800 step time: 00:00:00.166402 Performance: 71.386 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:01:24,739 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 152.32 -1682.1 16694 -18376 -18376 -0.00064766 -0.00076195 0.00046669 43647 2024-05-07 20:01:40,678 INFO [main.py:798]
{rank 0/64} MD step = 25900 step time: 00:00:00.150709 Performance: 71.382 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:01:50,437 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 149.37 -2168.8 16371 -18540 -18540 -0.0006667 -0.00049527 0.00040002 43836 2024-05-07 20:02:05,677 INFO [main.py:798]
{rank 0/64} MD step = 26000 step time: 00:00:00.160254 Performance: 71.373 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 20:02:13,089 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 152.8 -1788.3 16747 -18535 -18535 -0.00057146 -0.00091434 0.00034288 44026 2024-05-07 20:02:29,431 INFO [main.py:798]
{rank 0/64} MD step = 26100 step time: 00:00:00.170188 Performance: 71.379 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:02:39,496 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 148.07 -2285 16229 -18514 -18514 -0.00091434 -0.00053336 0.00040002 44155 2024-05-07 20:02:55,691 INFO [main.py:798]
{rank 0/64} MD step = 26200 step time: 00:00:00.159840 Performance: 71.355 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 20:03:04,607 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 149.28 -2047.6 16361 -18409 -18409 -0.00057146 -0.00041907 0.00034288 44348 2024-05-07 20:03:20,323 INFO [main.py:798]
{rank 0/64} MD step = 26300 step time: 00:00:00.160565 Performance: 71.351 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 20:03:27,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26300 5260 150.89 -1988.6 16537 -18526 -18526 -0.00076195 -0.00049527 0.00083814 44486 2024-05-07 20:03:43,123 INFO [main.py:798]
{rank 0/64} MD step = 26400 step time: 00:00:00.144306 Performance: 71.367 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 20:03:53,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26400 5280 149.87 -1963.8 16426 -18390 -18390 -0.00022858 -0.00053336 0.00064766 44651 2024-05-07 20:04:09,816 INFO [main.py:798]
{rank 0/64} MD step = 26500 step time: 00:00:00.161329 Performance: 71.339 ns/day 0.336 hours/ns 4.128 steps/s 2024-05-07 20:04:18,054 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 152.88 -1624.3 16756 -18380 -18380 -0.00089529 -0.00047622 0.00045717 44827 2024-05-07 20:04:33,705 INFO [main.py:798]
{rank 0/64} MD step = 26600 step time: 00:00:00.163645 Performance: 71.343 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 20:04:40,873 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 149.74 -2084.9 16412 -18497 -18497 -0.00034288 -0.00076195 0.00076195 44983 2024-05-07 20:04:57,068 INFO [main.py:798]
{rank 0/64} MD step = 26700 step time: 00:00:00.165381 Performance: 71.352 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 20:05:05,369 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 150.49 -1957.3 16494 -18451 -18451 -0.00083814 -0.0004286 0.00045717 45136 2024-05-07 20:05:21,393 INFO [main.py:798]
{rank 0/64} MD step = 26800 step time: 00:00:00.161745 Performance: 71.351 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 20:05:30,735 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 148.54 -2360.3 16280 -18640 -18640 -0.00075242 -0.00064766 0.00067623 45306 2024-05-07 20:05:46,757 INFO [main.py:798]
{rank 0/64} MD step = 26900 step time: 00:00:00.156604 Performance: 71.339 ns/day 0.336 hours/ns 4.128 steps/s 2024-05-07 20:05:55,468 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 150.6 -2163 16506 -18669 -18669 -0.00053336 -0.00068575 0.00062861 45423 2024-05-07 20:06:10,579 INFO [main.py:798]
{rank 0/64} MD step = 27000 step time: 00:00:00.158305 Performance: 71.343 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 20:06:14,822 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 148.72 -2248.8 16300 -18548 -18548 -0.00091434 -0.00045717 0.00099053 45599 2024-05-07 20:06:33,913 INFO [main.py:798]
{rank 0/64} MD step = 27100 step time: 00:00:00.165722 Performance: 71.353 ns/day 0.336 hours/ns 4.129 steps/s 2024-05-07 20:06:41,119 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 151.07 -1981.4 16558 -18539 -18539 -0.00043812 -0.00045717 0.00068575 45704 2024-05-07 20:06:56,877 INFO [main.py:798]
{rank 0/64} MD step = 27200 step time: 00:00:00.163329 Performance: 71.366 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 20:07:01,934 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 150.25 -2040.3 16468 -18508 -18508 -0.00081909 -0.00043812 0.00059051 45855 2024-05-07 20:07:19,592 INFO [main.py:798]
{rank 0/64} MD step = 27300 step time: 00:00:00.168121 Performance: 71.382 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:07:28,369 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 148.21 -2252.8 16244 -18496 -18496 -0.0006667 -0.00076195 0.00040002 46023 2024-05-07 20:07:43,866 INFO [main.py:798]
{rank 0/64} MD step = 27400 step time: 00:00:00.160348 Performance: 71.382 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:07:52,360 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 152.8 -1803 16747 -18550 -18550 -0.00087624 -0.00040955 0.00068575 46217 2024-05-07 20:08:07,550 INFO [main.py:798]
{rank 0/64} MD step = 27500 step time: 00:00:00.145712 Performance: 71.387 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:08:15,465 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 151.82 -1949.8 16640 -18590 -18590 -0.00053336 -0.00068575 0.00091434 46369 2024-05-07 20:08:31,486 INFO [main.py:798]
{rank 0/64} MD step = 27600 step time: 00:00:00.137850 Performance: 71.390 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:08:36,459 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 152.22 -1752.1 16683 -18435 -18435 -0.00041907 -0.00056194 0.00038097 46558 2024-05-07 20:08:53,444 INFO [main.py:798]
{rank 0/64} MD step = 27700 step time: 00:00:00.164182 Performance: 71.414 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 20:09:02,151 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 149.03 -1951.4 16334 -18285 -18285 -0.00034288 -0.00062861 0.00056194 46718 2024-05-07 20:09:16,884 INFO [main.py:798]
{rank 0/64} MD step = 27800 step time: 00:00:00.159215 Performance: 71.422 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 20:09:23,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27800 5560 149.36 -2151.3 16370 -18522 -18522 -0.00032383 -0.0006667 0.00049527 46845 2024-05-07 20:09:40,746 INFO [main.py:798]
{rank 0/64} MD step = 27900 step time: 00:00:00.156228 Performance: 71.426 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 20:09:48,588 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 149.01 -2157.9 16332 -18490 -18490 -0.00061908 -0.00068575 0.00038097 47010 2024-05-07 20:10:03,777 INFO [main.py:798]
{rank 0/64} MD step = 28000 step time: 00:00:00.141978 Performance: 71.438 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 20:10:08,842 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 149.36 -1834.4 16370 -18205 -18205 -0.00045717 -0.00029525 0.00085719 47231 2024-05-07 20:10:27,370 INFO [main.py:798]
{rank 0/64} MD step = 28100 step time: 00:00:00.148344 Performance: 71.444 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 20:10:35,601 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 148.19 -2154.7 16241 -18396 -18396 -0.00057146 -0.00068575 0.00053336 47448 2024-05-07 20:10:51,608 INFO [main.py:798]
{rank 0/64} MD step = 28200 step time: 00:00:00.148803 Performance: 71.444 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 20:10:57,694 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 150.14 -1870.5 16456 -18326 -18326 -0.00055241 -0.0010286 0.00079052 47624 2024-05-07 20:11:15,222 INFO [main.py:798]
{rank 0/64} MD step = 28300 step time: 00:00:00.146291 Performance: 71.450 ns/day 0.336 hours/ns 4.135 steps/s 2024-05-07 20:11:23,554 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 147.67 -2166 16185 -18351 -18351 -0.00045717 -0.00064766 0.00089529 47744 2024-05-07 20:11:39,861 INFO [main.py:798]
{rank 0/64} MD step = 28400 step time: 00:00:00.148189 Performance: 71.445 ns/day 0.336 hours/ns 4.135 steps/s 2024-05-07 20:11:50,868 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 149.84 -1996.2 16423 -18419 -18419 -0.0004286 -0.0007048 0.00049527 47953 2024-05-07 20:12:06,752 INFO [main.py:798]
{rank 0/64} MD step = 28500 step time: 00:00:00.154239 Performance: 71.417 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 20:12:13,890 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 146.51 -2210.2 16058 -18268 -18268 -0.00091434 -0.00053336 0.00072385 48091 2024-05-07 20:12:30,089 INFO [main.py:798]
{rank 0/64} MD step = 28600 step time: 00:00:00.142635 Performance: 71.426 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 20:12:38,258 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 150.25 -1760 16467 -18227 -18227 -0.00051431 -0.00026668 0.00081909 48257 2024-05-07 20:12:53,938 INFO [main.py:798]
{rank 0/64} MD step = 28700 step time: 00:00:00.168599 Performance: 71.429 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 20:12:59,983 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 150.84 -1752.5 16532 -18285 -18285 -0.00095243 -0.00068575 0.00057146 48461 2024-05-07 20:13:14,706 INFO [main.py:798]
{rank 0/64} MD step = 28800 step time: 00:00:00.146548 Performance: 71.464 ns/day 0.336 hours/ns 4.136 steps/s 2024-05-07 20:13:22,391 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 149.02 -2233.6 16333 -18566 -18566 -0.00090481 -0.00083814 0.00099053 48540 2024-05-07 20:13:38,497 INFO [main.py:798]
{rank 0/64} MD step = 28900 step time: 00:00:00.139955 Performance: 71.468 ns/day 0.336 hours/ns 4.136 steps/s 2024-05-07 20:13:56,481 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 149.63 -1766.6 16400 -18167 -18167 -0.00087624 -0.00040002 0.00041907 48764 2024-05-07 20:14:10,927 INFO [main.py:798]
{rank 0/64} MD step = 29000 step time: 00:00:00.154996 Performance: 71.384 ns/day 0.336 hours/ns 4.131 steps/s 2024-05-07 20:14:17,377 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 150.43 -1660.5 16487 -18147 -18147 -0.00038097 -0.00053336 0.00038097 48901 2024-05-07 20:14:33,612 INFO [main.py:798]
{rank 0/64} MD step = 29100 step time: 00:00:00.158169 Performance: 71.400 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 20:14:39,446 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 152.53 -1687.3 16718 -18405 -18405 -0.00060956 -0.00068575 0.00034288 49033 2024-05-07 20:14:55,245 INFO [main.py:798]
{rank 0/64} MD step = 29200 step time: 00:00:00.149490 Performance: 71.426 ns/day 0.336 hours/ns 4.133 steps/s 2024-05-07 20:15:00,925 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 150.15 -2010.1 16457 -18467 -18467 -0.00051431 -0.00083814 0.00039526 49178 2024-05-07 20:15:17,158 INFO [main.py:798]
{rank 0/64} MD step = 29300 step time: 00:00:00.161549 Performance: 71.449 ns/day 0.336 hours/ns 4.135 steps/s 2024-05-07 20:15:22,559 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 151.39 -1913.1 16593 -18506 -18506 -0.00063813 -0.00030478 0.0007048 49296 2024-05-07 20:15:38,683 INFO [main.py:798]
{rank 0/64} MD step = 29400 step time: 00:00:00.159628 Performance: 71.475 ns/day 0.336 hours/ns 4.136 steps/s 2024-05-07 20:15:45,482 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 148.6 -2004.7 16287 -18292 -18292 -0.00072385 -0.00041907 0.00028573 49502 2024-05-07 20:16:00,778 INFO [main.py:798]
{rank 0/64} MD step = 29500 step time: 00:00:00.156841 Performance: 71.496 ns/day 0.336 hours/ns 4.138 steps/s 2024-05-07 20:16:09,387 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 149.45 -2152.1 16380 -18532 -18532 -0.00080005 -0.00079528 0.00057146 49607 2024-05-07 20:16:25,260 INFO [main.py:798]
{rank 0/64} MD step = 29600 step time: 00:00:00.168303 Performance: 71.493 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 20:16:31,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29600 5920 148.9 -2099.7 16320 -18420 -18420 -0.00072385 -0.00038097 0.00043812 49773 2024-05-07 20:16:47,161 INFO [main.py:798]
{rank 0/64} MD step = 29700 step time: 00:00:00.156123 Performance: 71.516 ns/day 0.336 hours/ns 4.139 steps/s 2024-05-07 20:16:54,428 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 150.26 -2031.9 16468 -18500 -18500 -0.00019049 -0.00087624 0.00099053 49921 2024-05-07 20:17:09,255 INFO [main.py:798]
{rank 0/64} MD step = 29800 step time: 00:00:00.147304 Performance: 71.536 ns/day 0.335 hours/ns 4.140 steps/s 2024-05-07 20:17:17,364 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 148.8 -1843.9 16308 -18152 -18152 -0.00080005 -0.00080005 0.00081909 50127 2024-05-07 20:17:33,339 INFO [main.py:798]
{rank 0/64} MD step = 29900 step time: 00:00:00.158724 Performance: 71.537 ns/day 0.335 hours/ns 4.140 steps/s 2024-05-07 20:17:41,890 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 149.41 -1880.6 16376 -18257 -18257 -0.00064766 -0.00053336 0.00072385 50305 2024-05-07 20:17:57,327 INFO [main.py:798]
{rank 0/64} MD step = 30000 step time: 00:00:00.163834 Performance: 71.539 ns/day 0.335 hours/ns 4.140 steps/s 2024-05-07 20:18:02,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30000 6000 149.46 -2073.5 16380 -18454 -18454 -0.00083814 -0.00068575 0.00036193 50434 2024-05-07 20:18:18,477 INFO [main.py:798]
{rank 0/64} MD step = 30100 step time: 00:00:00.161489 Performance: 71.568 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 20:18:26,548 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 150.6 -1921 16505 -18426 -18426 -0.00091434 -0.00055241 0.00061432 50575 2024-05-07 20:18:41,589 INFO [main.py:798]
{rank 0/64} MD step = 30200 step time: 00:00:00.152974 Performance: 71.578 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 20:18:50,044 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 149.59 -2168.1 16396 -18564 -18564 -0.00057146 -0.00022858 0.00038097 50774 2024-05-07 20:19:05,630 INFO [main.py:798]
{rank 0/64} MD step = 30300 step time: 00:00:00.163190 Performance: 71.579 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 20:19:14,180 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 148.88 -1981 16318 -18299 -18299 -0.00049527 -0.00083814 0.00060956 50927 2024-05-07 20:19:30,346 INFO [main.py:798]
{rank 0/64} MD step = 30400 step time: 00:00:00.163065 Performance: 71.574 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 20:19:37,967 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 148.95 -2051.5 16326 -18377 -18377 -0.00038097 -0.00072385 0.00077147 51141 2024-05-07 20:19:53,897 INFO [main.py:798]
{rank 0/64} MD step = 30500 step time: 00:00:00.166270 Performance: 71.579 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 20:19:59,911 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 150.69 -1820.2 16516 -18336 -18336 -0.00083814 -0.00060956 0.00045717 51288 2024-05-07 20:20:14,969 INFO [main.py:798]
{rank 0/64} MD step = 30600 step time: 00:00:00.155464 Performance: 71.609 ns/day 0.335 hours/ns 4.144 steps/s 2024-05-07 20:20:27,261 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 149.89 -1987.5 16428 -18416 -18416 -0.00053336 -0.00028097 0.00059051 51460 2024-05-07 20:20:42,967 INFO [main.py:798]
{rank 0/64} MD step = 30700 step time: 00:00:00.164564 Performance: 71.572 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 20:21:00,640 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 149.16 -2214.8 16348 -18563 -18563 -0.00038097 -0.00087624 0.00060956 51650 2024-05-07 20:21:15,962 INFO [main.py:798]
{rank 0/64} MD step = 30800 step time: 00:00:00.149264 Performance: 71.487 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 20:21:24,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30800 6160 149.52 -1822.6 16388 -18211 -18211 -0.00083814 -0.0004286 0.00054765 51789 2024-05-07 20:21:40,062 INFO [main.py:798]
{rank 0/64} MD step = 30900 step time: 00:00:00.151140 Performance: 71.487 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 20:21:47,479 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 151.29 -1870.2 16581 -18451 -18451 -0.00072385 -0.00072385 0.00030478 51958 2024-05-07 20:22:02,270 INFO [main.py:798]
{rank 0/64} MD step = 31000 step time: 00:00:00.156353 Performance: 71.506 ns/day 0.336 hours/ns 4.138 steps/s 2024-05-07 20:22:07,711 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 150.55 -1770.8 16501 -18272 -18272 -0.000781 -0.00060956 0.00083814 52146 2024-05-07 20:22:24,429 INFO [main.py:798]
{rank 0/64} MD step = 31100 step time: 00:00:00.145511 Performance: 71.525 ns/day 0.336 hours/ns 4.139 steps/s 2024-05-07 20:22:32,729 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 150.52 -1984.1 16497 -18481 -18481 -0.00053336 -0.00052384 0.00022858 52318 2024-05-07 20:22:48,599 INFO [main.py:798]
{rank 0/64} MD step = 31200 step time: 00:00:00.158429 Performance: 71.525 ns/day 0.336 hours/ns 4.139 steps/s 2024-05-07 20:22:53,323 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 146.54 -2231.9 16061 -18293 -18293 -0.00034288 -0.00091434 0.00053336 52513 2024-05-07 20:23:11,431 INFO [main.py:798]
{rank 0/64} MD step = 31300 step time: 00:00:00.158363 Performance: 71.538 ns/day 0.335 hours/ns 4.140 steps/s 2024-05-07 20:23:17,771 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 152.28 -1704 16690 -18394 -18394 -0.0010096 -0.00045717 0.00045717 52694 2024-05-07 20:23:33,380 INFO [main.py:798]
{rank 0/64} MD step = 31400 step time: 00:00:00.151271 Performance: 71.559 ns/day 0.335 hours/ns 4.141 steps/s 2024-05-07 20:23:44,710 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 150.47 -1932.3 16492 -18424 -18424 -0.00098101 -0.00087624 0.00060956 52817 2024-05-07 20:24:00,294 INFO [main.py:798]
{rank 0/64} MD step = 31500 step time: 00:00:00.155030 Performance: 71.533 ns/day 0.336 hours/ns 4.140 steps/s 2024-05-07 20:24:12,281 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 148.15 -2225.7 16238 -18463 -18463 -0.00053336 -0.00068575 0.00057146 52960 2024-05-07 20:24:28,454 INFO [main.py:798]
{rank 0/64} MD step = 31600 step time: 00:00:00.145287 Performance: 71.495 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-07 20:24:47,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31600 6320 148.85 -1870 16314 -18184 -18184 -0.00053336 -0.00030478 0.00038097 53177 2024-05-07 20:25:03,471 INFO [main.py:798]
{rank 0/64} MD step = 31700 step time: 00:00:00.142151 Performance: 71.394 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 20:25:16,617 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 150.6 -2035.5 16506 -18542 -18542 -0.00053336 -0.00064766 7.6195e-05 53321 2024-05-07 20:25:31,335 INFO [main.py:798]
{rank 0/64} MD step = 31800 step time: 00:00:00.154394 Performance: 71.360 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 20:25:38,697 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 149.69 -2160.4 16407 -18567 -18567 -0.00061908 -0.00035716 0.00075242 53513 2024-05-07 20:25:54,407 INFO [main.py:798]
{rank 0/64} MD step = 31900 step time: 00:00:00.150361 Performance: 71.371 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-07 20:26:00,112 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 148.04 -2332.3 16225 -18557 -18557 -0.00043812 -0.00055241 0.00072385 53677 2024-05-07 20:26:14,740 INFO [main.py:798]
{rank 0/64} MD step = 32000 step time: 00:00:00.136853 Performance: 71.406 ns/day 0.336 hours/ns 4.132 steps/s 2024-05-07 20:26:19,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32000 6400 148.85 -2179.7 16314 -18493 -18493 -0.00055241 -0.00053336 0.0007048 53806 2024-05-07 20:26:36,214 INFO [main.py:798]
{rank 0/64} MD step = 32100 step time: 00:00:00.173067 Performance: 71.431 ns/day 0.336 hours/ns 4.134 steps/s 2024-05-07 20:26:41,842 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 150.84 -1749.2 16532 -18281 -18281 -0.00077147 -0.00060956 0.00064766 53997 2024-05-07 20:26:57,732 INFO [main.py:798]
{rank 0/64} MD step = 32200 step time: 00:00:00.147569 Performance: 71.456 ns/day 0.336 hours/ns 4.135 steps/s 2024-05-07 20:27:02,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32200 6440 148.33 -2419.6 16257 -18676 -18676 -0.00060956 -0.00045717 0.00057146 54106 2024-05-07 20:27:19,686 INFO [main.py:798]
{rank 0/64} MD step = 32300 step time: 00:00:00.165549 Performance: 71.476 ns/day 0.336 hours/ns 4.136 steps/s 2024-05-07 20:27:28,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32300 6460 150 -2009.9 16440 -18450 -18450 -0.00050479 -0.00028573 0.00057146 54285 2024-05-07 20:27:43,788 INFO [main.py:798]
{rank 0/64} MD step = 32400 step time: 00:00:00.154441 Performance: 71.477 ns/day 0.336 hours/ns 4.136 steps/s 2024-05-07 20:27:49,589 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 149.51 -2106.7 16387 -18493 -18493 -0.00030478 -0.00041907 0.00028573 54453 2024-05-07 20:28:05,062 INFO [main.py:798]
{rank 0/64} MD step = 32500 step time: 00:00:00.164055 Performance: 71.503 ns/day 0.336 hours/ns 4.138 steps/s 2024-05-07 20:28:11,199 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 149.4 -1826 16374 -18200 -18200 -0.00015239 -0.00087624 0.00029525 54571 2024-05-07 20:28:26,382 INFO [main.py:798]
{rank 0/64} MD step = 32600 step time: 00:00:00.159516 Performance: 71.529 ns/day 0.336 hours/ns 4.139 steps/s 2024-05-07 20:28:32,294 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 152.15 -1736.4 16676 -18413 -18413 -0.00030478 -0.00045717 0.00081909 54734 2024-05-07 20:28:47,741 INFO [main.py:798]
{rank 0/64} MD step = 32700 step time: 00:00:00.156043 Performance: 71.555 ns/day 0.335 hours/ns 4.141 steps/s 2024-05-07 20:28:53,859 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 147.88 -2106.7 16208 -18314 -18314 -0.00072385 -0.00055241 0.00057146 54919 2024-05-07 20:29:09,319 INFO [main.py:798]
{rank 0/64} MD step = 32800 step time: 00:00:00.149383 Performance: 71.578 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 20:29:18,100 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 150.16 -2034 16458 -18492 -18492 -0.00091434 -0.00053336 0.00055241 55039 2024-05-07 20:29:33,635 INFO [main.py:798]
{rank 0/64} MD step = 32900 step time: 00:00:00.156490 Performance: 71.576 ns/day 0.335 hours/ns 4.142 steps/s 2024-05-07 20:29:37,968 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 150.1 -1920.6 16451 -18372 -18372 -0.00076195 -0.00081909 0.00032383 55191 2024-05-07 20:29:55,260 INFO [main.py:798]
{rank 0/64} MD step = 33000 step time: 00:00:00.140381 Performance: 71.599 ns/day 0.335 hours/ns 4.143 steps/s 2024-05-07 20:30:00,022 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 149.27 -2058.9 16360 -18419 -18419 -0.00076195 -0.00080005 0.00087624 55330 2024-05-07 20:30:16,555 INFO [main.py:798]
{rank 0/64} MD step = 33100 step time: 00:00:00.159214 Performance: 71.624 ns/day 0.335 hours/ns 4.145 steps/s 2024-05-07 20:30:25,240 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 150.25 -2037.5 16467 -18505 -18505 -0.00037145 -0.00026668 0.00045717 55493 2024-05-07 20:30:39,799 INFO [main.py:798]
{rank 0/64} MD step = 33200 step time: 00:00:00.158233 Performance: 71.632 ns/day 0.335 hours/ns 4.145 steps/s 2024-05-07 20:30:47,541 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 149.42 -2070.6 16376 -18447 -18447 -0.00049527 -0.00049527 0.00045717 55672 2024-05-07 20:31:02,690 INFO [main.py:798]
{rank 0/64} MD step = 33300 step time: 00:00:00.150806 Performance: 71.643 ns/day 0.335 hours/ns 4.146 steps/s 2024-05-07 20:31:06,895 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 148.75 -1925.4 16303 -18228 -18228 -0.00051431 -0.00019049 0.00030478 55863 2024-05-07 20:31:25,990 INFO [main.py:798]
{rank 0/64} MD step = 33400 step time: 00:00:00.164826 Performance: 71.651 ns/day 0.335 hours/ns 4.146 steps/s 2024-05-07 20:31:34,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33400 6680 150.31 -1903.1 16474 -18377 -18377 -0.0010001 -0.0007048 0.00057146 55997 2024-05-07 20:31:50,727 INFO [main.py:798]
{rank 0/64} MD step = 33500 step time: 00:00:00.167337 Performance: 71.645 ns/day 0.335 hours/ns 4.146 steps/s 2024-05-07 20:31:55,252 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 149.5 -2073.4 16386 -18459 -18459 -0.00091434 -0.00055241 0.00040955 56148 2024-05-07 20:32:13,407 INFO [main.py:798]
{rank 0/64} MD step = 33600 step time: 00:00:00.165254 Performance: 71.658 ns/day 0.335 hours/ns 4.147 steps/s 2024-05-07 20:32:18,855 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 148.33 -2214.9 16257 -18472 -18472 -0.00087624 -0.00072385 -0.00019049 56300 2024-05-07 20:32:34,801 INFO [main.py:798]
{rank 0/64} MD step = 33700 step time: 00:00:00.157827 Performance: 71.682 ns/day 0.335 hours/ns 4.148 steps/s 2024-05-07 20:32:40,892 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 151.14 -1860.3 16565 -18425 -18425 -0.00057146 -0.00033335 0.00040002 56532 2024-05-07 20:32:56,868 INFO [main.py:798]
{rank 0/64} MD step = 33800 step time: 00:00:00.157860 Performance: 71.700 ns/day 0.335 hours/ns 4.149 steps/s 2024-05-07 20:33:07,515 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 148.13 -2155.9 16235 -18391 -18391 -0.00081909 -0.00034288 0.00060956 56664 2024-05-07 20:33:23,398 INFO [main.py:798]
{rank 0/64} MD step = 33900 step time: 00:00:00.159093 Performance: 71.678 ns/day 0.335 hours/ns 4.148 steps/s 2024-05-07 20:33:29,855 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 151.33 -1531 16586 -18117 -18117 -0.00040002 -0.00049527 0.00041907 56840 2024-05-07 20:33:45,842 INFO [main.py:798]
{rank 0/64} MD step = 34000 step time: 00:00:00.158172 Performance: 71.693 ns/day 0.335 hours/ns 4.149 steps/s 2024-05-07 20:33:52,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34000 6800 150.38 -1640.9 16481 -18122 -18122 -0.00028573 -0.00093339 0.00054289 57001 2024-05-07 20:34:08,739 INFO [main.py:798]
{rank 0/64} MD step = 34100 step time: 00:00:00.152274 Performance: 71.703 ns/day 0.335 hours/ns 4.150 steps/s 2024-05-07 20:34:15,305 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 149.56 -1977.1 16392 -18369 -18369 -0.00076195 -0.00057146 0.00053336 57129 2024-05-07 20:34:31,972 INFO [main.py:798]
{rank 0/64} MD step = 34200 step time: 00:00:00.158903 Performance: 71.711 ns/day 0.335 hours/ns 4.150 steps/s 2024-05-07 20:34:37,166 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 153.19 -1495.5 16790 -18286 -18286 -0.00026668 -0.00072385 0.00059051 57268 2024-05-07 20:34:52,308 INFO [main.py:798]
{rank 0/64} MD step = 34300 step time: 00:00:00.154803 Performance: 71.744 ns/day 0.335 hours/ns 4.152 steps/s 2024-05-07 20:34:58,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34300 6860 152.59 -1522.3 16724 -18246 -18246 -0.00045717 -0.00053336 0.00095243 57452 2024-05-07 20:35:13,425 INFO [main.py:798]
{rank 0/64} MD step = 34400 step time: 00:00:00.149896 Performance: 71.769 ns/day 0.334 hours/ns 4.153 steps/s 2024-05-07 20:35:19,747 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 151.62 -1719.3 16618 -18337 -18337 -0.00079052 -0.00047622 0.00087148 57610 2024-05-07 20:35:35,152 INFO [main.py:798]
{rank 0/64} MD step = 34500 step time: 00:00:00.160052 Performance: 71.790 ns/day 0.334 hours/ns 4.154 steps/s 2024-05-07 20:35:42,160 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 150.13 -1659.7 16454 -18114 -18114 -0.00038097 -0.0007429 0.00062861 57772 2024-05-07 20:35:57,674 INFO [main.py:798]
{rank 0/64} MD step = 34600 step time: 00:00:00.160424 Performance: 71.803 ns/day 0.334 hours/ns 4.155 steps/s 2024-05-07 20:36:05,096 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 149.94 -2014.5 16434 -18448 -18448 -0.00030478 -0.00072385 0.00055241 57907 2024-05-07 20:36:20,933 INFO [main.py:798]
{rank 0/64} MD step = 34700 step time: 00:00:00.172368 Performance: 71.810 ns/day 0.334 hours/ns 4.156 steps/s 2024-05-07 20:36:25,906 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 148.58 -2102.8 16285 -18388 -18388 -0.00041907 -0.00068575 0.00076195 58076 2024-05-07 20:36:43,312 INFO [main.py:798]
{rank 0/64} MD step = 34800 step time: 00:00:00.171682 Performance: 71.824 ns/day 0.334 hours/ns 4.157 steps/s 2024-05-07 20:36:50,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34800 6960 148.91 -1975 16320 -18295 -18295 -0.00068575 -0.00038097 0.00041907 58243 2024-05-07 20:37:06,317 INFO [main.py:798]
{rank 0/64} MD step = 34900 step time: 00:00:00.181257 Performance: 71.833 ns/day 0.334 hours/ns 4.157 steps/s 2024-05-07 20:37:11,695 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 153.48 -1516 16821 -18337 -18337 -0.00038097 -0.00076195 0.00072385 58399 2024-05-07 20:37:27,177 INFO [main.py:798]
{rank 0/64} MD step = 35000 step time: 00:00:00.155968 Performance: 71.861 ns/day 0.334 hours/ns 4.159 steps/s 2024-05-07 20:37:38,272 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 149.72 -2057.5 16409 -18467 -18467 -0.00053336 -0.00060956 0.00080957 58537 2024-05-07 20:37:53,495 INFO [main.py:798]
{rank 0/64} MD step = 35100 step time: 00:00:00.157224 Performance: 71.841 ns/day 0.334 hours/ns 4.157 steps/s 2024-05-07 20:37:59,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35100 7020 147.61 -2265.9 16178 -18444 -18444 -0.00022858 -0.00055241 0.00034288 58701 2024-05-07 20:38:15,033 INFO [main.py:798]
{rank 0/64} MD step = 35200 step time: 00:00:00.156424 Performance: 71.863 ns/day 0.334 hours/ns 4.159 steps/s 2024-05-07 20:38:23,793 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 151.57 -1724.4 16613 -18337 -18337 -0.00095243 -0.00030478 0.00020954 58875 2024-05-07 20:38:39,948 INFO [main.py:798]
{rank 0/64} MD step = 35300 step time: 00:00:00.158278 Performance: 71.855 ns/day 0.334 hours/ns 4.158 steps/s 2024-05-07 20:38:49,481 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 149.48 -2128 16383 -18511 -18511 -0.00046669 -0.00087624 0.00057146 58962 2024-05-07 20:39:04,787 INFO [main.py:798]
{rank 0/64} MD step = 35400 step time: 00:00:00.157870 Performance: 71.849 ns/day 0.334 hours/ns 4.158 steps/s 2024-05-07 20:39:10,105 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 153.17 -1418.3 16787 -18206 -18206 -0.00068575 -0.00057146 0.00085719 59173 2024-05-07 20:39:27,263 INFO [main.py:798]
{rank 0/64} MD step = 35500 step time: 00:00:00.161277 Performance: 71.862 ns/day 0.334 hours/ns 4.159 steps/s 2024-05-07 20:39:33,523 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 151.34 -1694.9 16587 -18282 -18282 -0.00080005 -0.00089529 0.00015239 59323 2024-05-07 20:39:48,597 INFO [main.py:798]
{rank 0/64} MD step = 35600 step time: 00:00:00.149757 Performance: 71.885 ns/day 0.334 hours/ns 4.160 steps/s 2024-05-07 20:39:54,339 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 149.14 -1997.8 16346 -18344 -18344 -0.00060956 -0.00090481 0.00047622 59460 2024-05-07 20:40:10,055 INFO [main.py:798]
{rank 0/64} MD step = 35700 step time: 00:00:00.170467 Performance: 71.906 ns/day 0.334 hours/ns 4.161 steps/s 2024-05-07 20:40:15,278 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 150.93 -1981.4 16542 -18523 -18523 -0.00099053 -0.0007429 0.00072385 59609 2024-05-07 20:40:30,460 INFO [main.py:798]
{rank 0/64} MD step = 35800 step time: 00:00:00.165411 Performance: 71.937 ns/day 0.334 hours/ns 4.163 steps/s 2024-05-07 20:40:36,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35800 7160 148.88 -2197.3 16317 -18514 -18514 -0.00045717 -0.00068575 0.00038097 59765 2024-05-07 20:40:52,311 INFO [main.py:798]
{rank 0/64} MD step = 35900 step time: 00:00:00.159970 Performance: 71.955 ns/day 0.334 hours/ns 4.164 steps/s 2024-05-07 20:40:58,649 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 150.09 -1812.8 16450 -18263 -18263 -0.00076195 -0.0007048 0.00059051 59895 2024-05-07 20:41:14,541 INFO [main.py:798]
{rank 0/64} MD step = 36000 step time: 00:00:00.159833 Performance: 71.970 ns/day 0.333 hours/ns 4.165 steps/s 2024-05-07 20:41:22,947 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 151.94 -1954.4 16653 -18607 -18607 -0.00060956 -0.00048574 0.00053336 60048 2024-05-07 20:41:39,019 INFO [main.py:798]
{rank 0/64} MD step = 36100 step time: 00:00:00.161678 Performance: 71.966 ns/day 0.333 hours/ns 4.165 steps/s 2024-05-07 20:41:44,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36100 7220 150.07 -2043.6 16448 -18491 -18491 -0.0007048 -0.00019049 0.00096672 60264 2024-05-07 20:42:00,366 INFO [main.py:798]
{rank 0/64} MD step = 36200 step time: 00:00:00.153750 Performance: 71.988 ns/day 0.333 hours/ns 4.166 steps/s 2024-05-07 20:42:07,041 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 150.28 -2156.2 16471 -18627 -18627 -0.00058099 -0.00076195 0.00037145 60424 2024-05-07 20:42:23,107 INFO [main.py:798]
{rank 0/64} MD step = 36300 step time: 00:00:00.156561 Performance: 71.998 ns/day 0.333 hours/ns 4.167 steps/s 2024-05-07 20:42:29,487 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 148.47 -2444.6 16272 -18717 -18717 -0.00036193 -0.00076195 0.00056194 60591 2024-05-07 20:42:44,660 INFO [main.py:798]
{rank 0/64} MD step = 36400 step time: 00:00:00.158868 Performance: 72.018 ns/day 0.333 hours/ns 4.168 steps/s 2024-05-07 20:42:50,140 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 148.85 -2192 16315 -18507 -18507 -0.00051431 -0.00099053 0.00022858 60813 2024-05-07 20:43:05,659 INFO [main.py:798]
{rank 0/64} MD step = 36500 step time: 00:00:00.141124 Performance: 72.043 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 20:43:12,123 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 149.9 -1855.3 16429 -18285 -18285 -0.00091434 -0.00085719 0.00068575 60975 2024-05-07 20:43:27,426 INFO [main.py:798]
{rank 0/64} MD step = 36600 step time: 00:00:00.153551 Performance: 72.061 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 20:43:33,638 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 150.69 -1985.9 16516 -18501 -18501 -0.00050479 -0.00072385 0.00098101 61074 2024-05-07 20:44:03,194 INFO [main.py:798]
{rank 0/64} MD step = 36700 step time: 00:00:00.170239 Performance: 71.965 ns/day 0.333 hours/ns 4.165 steps/s 2024-05-07 20:44:09,040 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 149.84 -1980.5 16423 -18403 -18403 -0.00034288 -0.00072385 0.00078576 61224 2024-05-07 20:44:24,507 INFO [main.py:798]
{rank 0/64} MD step = 36800 step time: 00:00:00.153813 Performance: 71.987 ns/day 0.333 hours/ns 4.166 steps/s 2024-05-07 20:44:32,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36800 7360 148.54 -2171.4 16280 -18451 -18451 -0.00034288 -0.00045717 0.00061908 61366 2024-05-07 20:44:46,072 INFO [main.py:798]
{rank 0/64} MD step = 36900 step time: 00:00:00.139507 Performance: 72.007 ns/day 0.333 hours/ns 4.167 steps/s 2024-05-07 20:44:57,368 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 149.74 -1877.5 16412 -18289 -18289 -0.00060956 -0.00041907 0.00032383 61562 2024-05-07 20:45:11,934 INFO [main.py:798]
{rank 0/64} MD step = 37000 step time: 00:00:00.143574 Performance: 71.992 ns/day 0.333 hours/ns 4.166 steps/s 2024-05-07 20:45:18,587 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 149.53 -2154.9 16389 -18544 -18544 -0.00038097 -0.00059051 0.00055241 61712 2024-05-07 20:45:34,649 INFO [main.py:798]
{rank 0/64} MD step = 37100 step time: 00:00:00.150889 Performance: 72.002 ns/day 0.333 hours/ns 4.167 steps/s 2024-05-07 20:45:43,523 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 150.21 -1870.6 16464 -18334 -18334 -0.0003905 -0.00094291 0.00067623 61904 2024-05-07 20:45:59,295 INFO [main.py:798]
{rank 0/64} MD step = 37200 step time: 00:00:00.160427 Performance: 71.997 ns/day 0.333 hours/ns 4.166 steps/s 2024-05-07 20:46:06,475 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 150.9 -1770.1 16539 -18309 -18309 -0.00072385 -0.00083814 0.00063813 62050 2024-05-07 20:46:22,850 INFO [main.py:798]
{rank 0/64} MD step = 37300 step time: 00:00:00.153255 Performance: 72.000 ns/day 0.333 hours/ns 4.167 steps/s 2024-05-07 20:46:28,247 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 149.34 -2043.6 16368 -18412 -18412 -0.00076195 -0.00064766 0.00045717 62217 2024-05-07 20:46:44,063 INFO [main.py:798]
{rank 0/64} MD step = 37400 step time: 00:00:00.157903 Performance: 72.023 ns/day 0.333 hours/ns 4.168 steps/s 2024-05-07 20:46:52,640 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 149.74 -1977.4 16412 -18389 -18389 -0.00034288 -0.00093339 0.00015239 62398 2024-05-07 20:47:08,915 INFO [main.py:798]
{rank 0/64} MD step = 37500 step time: 00:00:00.158571 Performance: 72.016 ns/day 0.333 hours/ns 4.168 steps/s 2024-05-07 20:47:19,522 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 150.29 -1962.8 16472 -18435 -18435 -0.00055241 -0.00075242 0.00034288 62559 2024-05-07 20:47:35,033 INFO [main.py:798]
{rank 0/64} MD step = 37600 step time: 00:00:00.163614 Performance: 71.999 ns/day 0.333 hours/ns 4.167 steps/s 2024-05-07 20:47:41,677 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 152.06 -1872.3 16666 -18538 -18538 -0.00053336 -0.00047622 0.00076195 62720 2024-05-07 20:47:58,044 INFO [main.py:798]
{rank 0/64} MD step = 37700 step time: 00:00:00.169906 Performance: 72.007 ns/day 0.333 hours/ns 4.167 steps/s 2024-05-07 20:48:04,763 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 150.3 -1825.5 16473 -18299 -18299 -0.00068575 -0.00064766 0.0004286 62902 2024-05-07 20:48:19,620 INFO [main.py:798]
{rank 0/64} MD step = 37800 step time: 00:00:00.180354 Performance: 72.026 ns/day 0.333 hours/ns 4.168 steps/s 2024-05-07 20:48:27,941 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 151.23 -1663.4 16575 -18238 -18238 -0.00045717 -0.00095243 0.00067623 63071 2024-05-07 20:48:42,947 INFO [main.py:798]
{rank 0/64} MD step = 37900 step time: 00:00:00.173843 Performance: 72.031 ns/day 0.333 hours/ns 4.168 steps/s 2024-05-07 20:48:52,473 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 152 -1639.7 16659 -18299 -18299 -0.00026668 -0.00076195 0.00045717 63266 2024-05-07 20:49:06,790 INFO [main.py:798]
{rank 0/64} MD step = 38000 step time: 00:00:00.147203 Performance: 72.032 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 20:49:14,218 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 149.45 -2081 16379 -18460 -18460 -0.00045479 -0.00064289 0.00072385 63421 2024-05-07 20:49:29,769 INFO [main.py:798]
{rank 0/64} MD step = 38100 step time: 00:00:00.156860 Performance: 72.040 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 20:49:36,337 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 150.91 -1892.4 16540 -18433 -18433 -0.00093339 -0.00089529 0.0007429 63615 2024-05-07 20:49:51,283 INFO [main.py:798]
{rank 0/64} MD step = 38200 step time: 00:00:00.146583 Performance: 72.060 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 20:49:59,104 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 149.33 -2006.3 16367 -18373 -18373 -0.0006667 -0.00072385 0.00091434 63740 2024-05-07 20:50:15,068 INFO [main.py:798]
{rank 0/64} MD step = 38300 step time: 00:00:00.153767 Performance: 72.061 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 20:50:19,809 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 151.13 -1890.2 16564 -18454 -18454 -0.00047622 -0.00060956 0.00038097 63929 2024-05-07 20:50:35,819 INFO [main.py:798]
{rank 0/64} MD step = 38400 step time: 00:00:00.155194 Performance: 72.087 ns/day 0.333 hours/ns 4.172 steps/s 2024-05-07 20:50:41,127 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 152.74 -1597.1 16740 -18337 -18337 -0.00064766 -0.00098101 0.00032383 64029 2024-05-07 20:50:56,965 INFO [main.py:798]
{rank 0/64} MD step = 38500 step time: 00:00:00.173056 Performance: 72.109 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 20:51:03,020 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 151.2 -2034.1 16572 -18606 -18606 -0.000781 -0.00041907 0.00076195 64234 2024-05-07 20:51:18,693 INFO [main.py:798]
{rank 0/64} MD step = 38600 step time: 00:00:00.165811 Performance: 72.126 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 20:51:23,831 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 152.51 -1712 16715 -18427 -18427 -0.00062861 -0.00080005 0.00048574 64395 2024-05-07 20:51:39,601 INFO [main.py:798]
{rank 0/64} MD step = 38700 step time: 00:00:00.166239 Performance: 72.150 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 20:51:46,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38700 7740 148.6 -2113.1 16286 -18399 -18399 -0.00060956 -0.00064766 0.00055241 64586 2024-05-07 20:52:01,710 INFO [main.py:798]
{rank 0/64} MD step = 38800 step time: 00:00:00.161512 Performance: 72.164 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 20:52:07,845 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 152.88 -1495.4 16755 -18251 -18251 -0.0007048 -0.00063813 0.00030478 64745 2024-05-07 20:52:23,159 INFO [main.py:798]
{rank 0/64} MD step = 38900 step time: 00:00:00.162664 Performance: 72.183 ns/day 0.332 hours/ns 4.177 steps/s 2024-05-07 20:52:28,061 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 150.07 -1905.3 16447 -18353 -18353 -0.00030478 -0.00080005 0.00030478 64925 2024-05-07 20:52:44,495 INFO [main.py:798]
{rank 0/64} MD step = 39000 step time: 00:00:00.154680 Performance: 72.204 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 20:52:52,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39000 7800 149.87 -1897.1 16426 -18324 -18324 -0.00067623 -0.00080957 0.00060956 65092 2024-05-07 20:53:08,995 INFO [main.py:798]
{rank 0/64} MD step = 39100 step time: 00:00:00.152894 Performance: 72.199 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 20:53:14,124 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 152.04 -1806.4 16664 -18470 -18470 -0.00081909 -0.00095243 0.00060956 65227 2024-05-07 20:53:30,361 INFO [main.py:798]
{rank 0/64} MD step = 39200 step time: 00:00:00.156137 Performance: 72.219 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 20:53:35,123 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 148.25 -1976 16249 -18225 -18225 -0.00072385 -0.000781 0.00052384 65396 2024-05-07 20:53:50,008 INFO [main.py:798]
{rank 0/64} MD step = 39300 step time: 00:00:00.154002 Performance: 72.252 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 20:53:54,812 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 150.24 -1701.5 16467 -18168 -18168 -0.00081909 -0.00089529 0.00041907 65579 2024-05-07 20:54:11,118 INFO [main.py:798]
{rank 0/64} MD step = 39400 step time: 00:00:00.155927 Performance: 72.273 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 20:54:17,688 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 148.93 -2163.1 16323 -18486 -18486 -0.00053336 -0.00052384 0.00060003 65726 2024-05-07 20:54:32,756 INFO [main.py:798]
{rank 0/64} MD step = 39500 step time: 00:00:00.165229 Performance: 72.291 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 20:54:38,397 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 150.36 -1833.8 16480 -18314 -18314 -0.00038097 -0.00057146 0.00069528 65851 2024-05-07 20:54:54,316 INFO [main.py:798]
{rank 0/64} MD step = 39600 step time: 00:00:00.158295 Performance: 72.309 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 20:55:03,134 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 148.98 -1786.2 16329 -18115 -18115 -0.00052384 -0.00060956 0.0003524 66026 2024-05-07 20:55:19,060 INFO [main.py:798]
{rank 0/64} MD step = 39700 step time: 00:00:00.160859 Performance: 72.302 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 20:55:24,883 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 148.97 -1877.8 16328 -18205 -18205 -0.00057146 -0.00053336 0.00057146 66174 2024-05-07 20:55:40,542 INFO [main.py:798]
{rank 0/64} MD step = 39800 step time: 00:00:00.159539 Performance: 72.321 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 20:55:46,384 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 150.22 -2028.9 16464 -18493 -18493 -0.00055241 -0.00037145 0.00040002 66334 2024-05-07 20:56:02,410 INFO [main.py:798]
{rank 0/64} MD step = 39900 step time: 00:00:00.158145 Performance: 72.336 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 20:56:09,241 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 151.69 -1712.7 16625 -18338 -18338 -0.00055241 -0.0007429 0.00083814 66524 2024-05-07 20:56:24,809 INFO [main.py:798]
{rank 0/64} MD step = 40000 step time: 00:00:00.156369 Performance: 72.347 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 20:56:32,121 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 149.47 -1670.4 16382 -18053 -18053 -0.00041907 -0.00060956 0.00043812 66682 2024-05-07 20:56:47,487 INFO [main.py:798]
{rank 0/64} MD step = 40100 step time: 00:00:00.151470 Performance: 72.356 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 20:56:54,800 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 149.52 -1870.8 16388 -18259 -18259 -0.00076195 -0.0007429 0.00053336 66859 2024-05-07 20:57:10,728 INFO [main.py:798]
{rank 0/64} MD step = 40200 step time: 00:00:00.156641 Performance: 72.361 ns/day 0.332 hours/ns 4.188 steps/s 2024-05-07 20:57:19,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40200 8040 149.85 -2132.3 16423 -18556 -18556 -0.00099053 -0.00055241 0.00015239 67016 2024-05-07 20:57:35,374 INFO [main.py:798]
{rank 0/64} MD step = 40300 step time: 00:00:00.158705 Performance: 72.355 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 20:57:42,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40300 8060 148.32 -2267.7 16256 -18524 -18524 -0.00077147 -0.00076195 0.00060956 67166 2024-05-07 20:57:58,625 INFO [main.py:798]
{rank 0/64} MD step = 40400 step time: 00:00:00.160943 Performance: 72.360 ns/day 0.332 hours/ns 4.188 steps/s 2024-05-07 20:58:08,288 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 150.54 -1880.4 16500 -18380 -18380 -0.00038097 -0.00089529 0.00082862 67288 2024-05-07 20:58:23,530 INFO [main.py:798]
{rank 0/64} MD step = 40500 step time: 00:00:00.150109 Performance: 72.353 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 20:58:29,194 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 149.41 -2087.3 16376 -18463 -18463 -0.00091434 -0.000781 0.00036193 67432 2024-05-07 20:58:45,361 INFO [main.py:798]
{rank 0/64} MD step = 40600 step time: 00:00:00.155551 Performance: 72.368 ns/day 0.332 hours/ns 4.188 steps/s 2024-05-07 20:58:50,847 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 150.46 -1907 16491 -18398 -18398 -0.000781 -0.00068575 0.0003524 67586 2024-05-07 20:59:06,192 INFO [main.py:798]
{rank 0/64} MD step = 40700 step time: 00:00:00.188494 Performance: 72.391 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 20:59:10,054 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 150.11 -1936.4 16452 -18389 -18389 -0.00072385 -0.00072385 0.00072385 67740 2024-05-07 20:59:27,335 INFO [main.py:798]
{rank 0/64} MD step = 40800 step time: 00:00:00.159492 Performance: 72.411 ns/day 0.331 hours/ns 4.190 steps/s 2024-05-07 20:59:34,414 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 151.44 -1774.2 16598 -18372 -18372 -0.00051431 -0.00068575 0.00040002 67841 2024-05-07 20:59:50,300 INFO [main.py:798]
{rank 0/64} MD step = 40900 step time: 00:00:00.158626 Performance: 72.417 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 20:59:57,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40900 8180 149.06 -2098.8 16337 -18436 -18436 -0.00072385 -0.00049527 0.00047622 68049 2024-05-07 21:00:14,008 INFO [main.py:798]
{rank 0/64} MD step = 41000 step time: 00:00:00.144602 Performance: 72.419 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 21:00:20,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41000 8200 150.02 -2022.1 16442 -18464 -18464 -0.00079052 -0.00076195 0.00081909 68159 2024-05-07 21:00:36,833 INFO [main.py:798]
{rank 0/64} MD step = 41100 step time: 00:00:00.155445 Performance: 72.426 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 21:00:45,761 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 150.04 -2013.6 16445 -18458 -18458 -0.00068575 -0.00097148 0.0010096 68337 2024-05-07 21:01:01,138 INFO [main.py:798]
{rank 0/64} MD step = 41200 step time: 00:00:00.151436 Performance: 72.423 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 21:01:10,578 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 151.47 -1789.9 16601 -18391 -18391 -0.00099053 -0.00060956 0.00045717 68529 2024-05-07 21:01:26,192 INFO [main.py:798]
{rank 0/64} MD step = 41300 step time: 00:00:00.185414 Performance: 72.414 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 21:01:36,205 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 148.34 -2277.8 16258 -18536 -18536 -0.00068575 -0.0003905 0.00030478 68659 2024-05-07 21:01:51,969 INFO [main.py:798]
{rank 0/64} MD step = 41400 step time: 00:00:00.152287 Performance: 72.400 ns/day 0.331 hours/ns 4.190 steps/s 2024-05-07 21:02:07,799 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 152.03 -2009.2 16663 -18672 -18672 -0.00083814 -0.00049527 0.00076195 68813 2024-05-07 21:02:23,775 INFO [main.py:798]
{rank 0/64} MD step = 41500 step time: 00:00:00.156657 Performance: 72.342 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 21:02:29,301 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 150.33 -1861.4 16476 -18338 -18338 -0.00041907 -0.00064766 0.00030478 68990 2024-05-07 21:02:46,653 INFO [main.py:798]
{rank 0/64} MD step = 41600 step time: 00:00:00.154712 Performance: 72.350 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 21:02:57,984 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 150.48 -1894.4 16493 -18387 -18387 -0.00045717 -0.00071433 0.00060956 69118 2024-05-07 21:03:13,871 INFO [main.py:798]
{rank 0/64} MD step = 41700 step time: 00:00:00.148841 Performance: 72.325 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 21:03:21,136 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 150.62 -1890.9 16508 -18399 -18399 -0.00083814 -0.00047622 0.00034288 69310 2024-05-07 21:03:37,163 INFO [main.py:798]
{rank 0/64} MD step = 41800 step time: 00:00:00.143169 Performance: 72.330 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 21:03:45,582 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 148.8 -2110 16308 -18418 -18418 -0.00093339 -0.00047622 0.00034288 69450 2024-05-07 21:04:01,774 INFO [main.py:798]
{rank 0/64} MD step = 41900 step time: 00:00:00.151932 Performance: 72.324 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 21:04:18,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41900 8380 150.83 -1975.1 16531 -18506 -18506 -0.00038097 -0.00083814 0.00034288 69592 2024-05-07 21:04:33,648 INFO [main.py:798]
{rank 0/64} MD step = 42000 step time: 00:00:00.159656 Performance: 72.267 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 21:04:41,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42000 8400 149.61 -1828.1 16398 -18226 -18226 -0.00069528 -0.0007048 0.00091434 69746 2024-05-07 21:04:56,038 INFO [main.py:798]
{rank 0/64} MD step = 42100 step time: 00:00:00.143503 Performance: 72.278 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 21:05:07,109 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 149.91 -2044.4 16430 -18474 -18474 -0.00085719 -0.00086672 0.00029525 69918 2024-05-07 21:05:22,973 INFO [main.py:798]
{rank 0/64} MD step = 42200 step time: 00:00:00.175307 Performance: 72.256 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 21:05:30,018 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 150.27 -2034.1 16469 -18503 -18503 -0.00091434 -0.00073337 0.00049527 70061 2024-05-07 21:05:45,066 INFO [main.py:798]
{rank 0/64} MD step = 42300 step time: 00:00:00.159935 Performance: 72.269 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 21:05:49,790 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 148.98 -2194.4 16328 -18522 -18522 -0.00043812 -0.00099053 0.00055241 70214 2024-05-07 21:06:07,915 INFO [main.py:798]
{rank 0/64} MD step = 42400 step time: 00:00:00.165709 Performance: 72.277 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 21:06:15,669 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 152.42 -1742.8 16706 -18449 -18449 -0.00030478 -0.00087624 0.00034288 70366 2024-05-07 21:06:31,700 INFO [main.py:798]
{rank 0/64} MD step = 42500 step time: 00:00:00.165941 Performance: 72.278 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 21:06:42,008 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 148.54 -2276.7 16280 -18557 -18557 -0.00085719 -0.00053336 0.00048574 70553 2024-05-07 21:06:58,110 INFO [main.py:798]
{rank 0/64} MD step = 42600 step time: 00:00:00.165949 Performance: 72.260 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 21:07:08,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42600 8520 152.8 -1884.6 16747 -18631 -18631 -0.00083814 -0.00093339 0.00068575 70714 2024-05-07 21:07:23,241 INFO [main.py:798]
{rank 0/64} MD step = 42700 step time: 00:00:00.156205 Performance: 72.251 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 21:07:30,745 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 151.16 -1994.4 16567 -18562 -18562 -0.00081909 -0.00046669 0.00053336 70930 2024-05-07 21:07:49,118 INFO [main.py:798]
{rank 0/64} MD step = 42800 step time: 00:00:00.158799 Performance: 72.238 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:07:59,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42800 8560 150.68 -1953.8 16515 -18469 -18469 -0.00068575 -0.00081909 0.00053336 71122 2024-05-07 21:08:15,506 INFO [main.py:798]
{rank 0/64} MD step = 42900 step time: 00:00:00.155274 Performance: 72.220 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 21:08:23,927 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 149.45 -1878.8 16380 -18259 -18259 -0.00055241 -0.00040002 0.00059051 71279 2024-05-07 21:08:40,105 INFO [main.py:798]
{rank 0/64} MD step = 43000 step time: 00:00:00.162325 Performance: 72.215 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 21:08:47,225 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 150.58 -2013.5 16503 -18517 -18517 -0.00030478 -0.00034288 0.0003143 71455 2024-05-07 21:09:03,214 INFO [main.py:798]
{rank 0/64} MD step = 43100 step time: 00:00:00.157273 Performance: 72.221 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 21:09:07,935 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 150.15 -1709.1 16456 -18166 -18166 -0.00083814 -0.00091434 0.00072385 71623 2024-05-07 21:09:25,890 INFO [main.py:798]
{rank 0/64} MD step = 43200 step time: 00:00:00.158520 Performance: 72.230 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:09:33,806 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 151.3 -1891.4 16582 -18474 -18474 -0.00083814 -0.00076195 0.00062861 71783 2024-05-07 21:09:50,077 INFO [main.py:798]
{rank 0/64} MD step = 43300 step time: 00:00:00.153572 Performance: 72.228 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:09:54,426 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 149.82 -1922.4 16421 -18343 -18343 -0.00076195 -0.00038097 0.00062861 71898 2024-05-07 21:10:11,954 INFO [main.py:798]
{rank 0/64} MD step = 43400 step time: 00:00:00.151046 Performance: 72.242 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 21:10:22,495 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 151.1 -1850.2 16560 -18411 -18411 -0.00072385 -0.00083814 0.00041907 72027 2024-05-07 21:10:37,371 INFO [main.py:798]
{rank 0/64} MD step = 43500 step time: 00:00:00.161309 Performance: 72.232 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:10:45,482 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 151.93 -1697.2 16652 -18349 -18349 -0.00038097 -0.000781 0.00015239 72211 2024-05-07 21:11:01,477 INFO [main.py:798]
{rank 0/64} MD step = 43600 step time: 00:00:00.163199 Performance: 72.231 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:11:09,081 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 149.61 -2094.1 16398 -18492 -18492 -0.00032383 -0.0010667 0.00073337 72333 2024-05-07 21:11:25,045 INFO [main.py:798]
{rank 0/64} MD step = 43700 step time: 00:00:00.159998 Performance: 72.233 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:11:31,333 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 148.76 -2085.5 16304 -18390 -18390 -0.00040002 -0.00055241 0.00045717 72523 2024-05-07 21:11:49,320 INFO [main.py:798]
{rank 0/64} MD step = 43800 step time: 00:00:00.168314 Performance: 72.231 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:11:58,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43800 8760 150.9 -1906.1 16539 -18445 -18445 -0.00091434 -0.00040002 0.00059051 72686 2024-05-07 21:12:14,120 INFO [main.py:798]
{rank 0/64} MD step = 43900 step time: 00:00:00.164747 Performance: 72.225 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:12:23,662 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 150.54 -1929.1 16500 -18429 -18429 -0.00038097 -0.00030478 0.00045717 72853 2024-05-07 21:12:39,461 INFO [main.py:798]
{rank 0/64} MD step = 44000 step time: 00:00:00.153309 Performance: 72.215 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 21:12:49,519 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 149.46 -2071.4 16381 -18452 -18452 -0.00047622 -0.00083814 0.00053336 72995 2024-05-07 21:13:05,592 INFO [main.py:798]
{rank 0/64} MD step = 44100 step time: 00:00:00.160388 Performance: 72.200 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 21:13:12,443 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 150.18 -1990.9 16460 -18451 -18451 -0.00083814 -0.0004286 0.00026668 73143 2024-05-07 21:13:30,785 INFO [main.py:798]
{rank 0/64} MD step = 44200 step time: 00:00:00.169260 Performance: 72.191 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 21:13:40,955 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 152.47 -1691.7 16710 -18402 -18402 -0.00045717 -0.00072385 0.00053336 73307 2024-05-07 21:13:56,448 INFO [main.py:798]
{rank 0/64} MD step = 44300 step time: 00:00:00.165967 Performance: 72.180 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 21:14:04,728 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 150.15 -1985.1 16456 -18441 -18441 -0.000781 -0.00062861 0.00072385 73505 2024-05-07 21:14:20,334 INFO [main.py:798]
{rank 0/64} MD step = 44400 step time: 00:00:00.155776 Performance: 72.180 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 21:14:29,866 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 151.91 -1740.4 16649 -18390 -18390 -0.00087624 -0.00060956 0.00015239 73623 2024-05-07 21:14:45,725 INFO [main.py:798]
{rank 0/64} MD step = 44500 step time: 00:00:00.164368 Performance: 72.170 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 21:14:56,162 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 150.14 -2225.7 16455 -18681 -18681 -0.00083814 -0.00068575 0.00047622 73804 2024-05-07 21:15:12,614 INFO [main.py:798]
{rank 0/64} MD step = 44600 step time: 00:00:00.156556 Performance: 72.150 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:15:21,417 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 148.01 -2373.9 16222 -18596 -18596 -0.00034288 -0.00048574 0.00047622 73998 2024-05-07 21:15:37,995 INFO [main.py:798]
{rank 0/64} MD step = 44700 step time: 00:00:00.157548 Performance: 72.141 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:15:44,959 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 151.12 -1920.9 16563 -18484 -18484 -0.0007048 -0.00045717 0.00045717 74203 2024-05-07 21:16:02,326 INFO [main.py:798]
{rank 0/64} MD step = 44800 step time: 00:00:00.162023 Performance: 72.138 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:16:09,965 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 149.36 -2009 16370 -18379 -18379 -0.00049527 -0.00060003 0.00080957 74408 2024-05-07 21:16:25,751 INFO [main.py:798]
{rank 0/64} MD step = 44900 step time: 00:00:00.164119 Performance: 72.142 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:16:33,417 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 149.68 -2081.2 16405 -18486 -18486 -0.00055241 -0.0003143 0.00040002 74564 2024-05-07 21:16:48,699 INFO [main.py:798]
{rank 0/64} MD step = 45000 step time: 00:00:00.149067 Performance: 72.148 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:16:55,813 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 149.17 -2209.6 16349 -18559 -18559 -0.0007048 -0.00069528 0.00036193 74718 2024-05-07 21:17:11,489 INFO [main.py:798]
{rank 0/64} MD step = 45100 step time: 00:00:00.139411 Performance: 72.156 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:17:19,376 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 150.15 -1940.3 16457 -18397 -18397 -0.00051431 -0.00076195 0.0006667 74865 2024-05-07 21:17:35,431 INFO [main.py:798]
{rank 0/64} MD step = 45200 step time: 00:00:00.156161 Performance: 72.156 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:17:43,718 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 151.96 -1826.2 16655 -18481 -18481 -0.00085719 -0.00034288 0.00038097 75032 2024-05-07 21:17:59,692 INFO [main.py:798]
{rank 0/64} MD step = 45300 step time: 00:00:00.157183 Performance: 72.154 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:18:08,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45300 9060 148.8 -2023.7 16309 -18333 -18333 -0.00047622 -0.00045717 0.00055241 75189 2024-05-07 21:18:24,836 INFO [main.py:798]
{rank 0/64} MD step = 45400 step time: 00:00:00.159203 Performance: 72.146 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:18:33,236 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 152.39 -1769.7 16702 -18472 -18472 -0.00091434 -0.00093339 0.00049527 75328 2024-05-07 21:18:49,268 INFO [main.py:798]
{rank 0/64} MD step = 45500 step time: 00:00:00.155810 Performance: 72.143 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:18:57,000 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 149.97 -2092.8 16437 -18530 -18530 -0.00043812 -0.00072385 0.00017144 75509 2024-05-07 21:19:12,387 INFO [main.py:798]
{rank 0/64} MD step = 45600 step time: 00:00:00.153377 Performance: 72.148 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:19:19,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45600 9120 151.61 -2043 16617 -18660 -18660 -0.00034288 -0.00076195 0.00051431 75679 2024-05-07 21:19:35,661 INFO [main.py:798]
{rank 0/64} MD step = 45700 step time: 00:00:00.144763 Performance: 72.153 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:19:42,966 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 152.15 -1601.5 16676 -18277 -18277 -0.00055241 -0.00034288 0.00038097 75843 2024-05-07 21:20:01,526 INFO [main.py:798]
{rank 0/64} MD step = 45800 step time: 00:00:00.152059 Performance: 72.140 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:20:09,192 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 151.74 -1746.9 16631 -18378 -18378 -0.0006667 -0.00059051 0.00060956 75984 2024-05-07 21:20:25,048 INFO [main.py:798]
{rank 0/64} MD step = 45900 step time: 00:00:00.139906 Performance: 72.143 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:20:33,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45900 9180 149.25 -2184.5 16358 -18542 -18542 -0.0004286 -0.00079052 0.00057146 76152 2024-05-07 21:20:51,287 INFO [main.py:798]
{rank 0/64} MD step = 46000 step time: 00:00:00.154011 Performance: 72.128 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 21:20:57,452 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 152.07 -1379.5 16667 -18046 -18046 -0.00053336 -0.0010286 0.0007429 76384 2024-05-07 21:21:13,482 INFO [main.py:798]
{rank 0/64} MD step = 46100 step time: 00:00:00.161380 Performance: 72.140 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:21:21,928 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 154.15 -1625.4 16895 -18520 -18520 -0.0010286 -0.00083814 0.00072385 76500 2024-05-07 21:21:37,782 INFO [main.py:798]
{rank 0/64} MD step = 46200 step time: 00:00:00.151244 Performance: 72.137 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:21:44,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46200 9240 150.48 -1789.6 16493 -18282 -18282 -0.00051431 -0.00060956 0.00064766 76663 2024-05-07 21:22:00,691 INFO [main.py:798]
{rank 0/64} MD step = 46300 step time: 00:00:00.153829 Performance: 72.144 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:22:06,608 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 148.25 -1972 16249 -18221 -18221 -0.00028573 -0.00094291 0.00064766 76807 2024-05-07 21:22:22,728 INFO [main.py:798]
{rank 0/64} MD step = 46400 step time: 00:00:00.153475 Performance: 72.157 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:22:31,035 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 149.99 -1935.1 16439 -18374 -18374 -0.00083814 -0.00027144 0.00090481 76976 2024-05-07 21:22:47,058 INFO [main.py:798]
{rank 0/64} MD step = 46500 step time: 00:00:00.148451 Performance: 72.154 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:22:56,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46500 9300 148.52 -2474.5 16278 -18752 -18752 -0.00076195 -0.00040002 0.00069528 77116 2024-05-07 21:23:12,411 INFO [main.py:798]
{rank 0/64} MD step = 46600 step time: 00:00:00.157847 Performance: 72.145 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:23:21,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46600 9320 147.51 -2469.1 16167 -18636 -18636 -0.00038097 -0.00094291 0.00060956 77335 2024-05-07 21:23:35,456 INFO [main.py:798]
{rank 0/64} MD step = 46700 step time: 00:00:00.139885 Performance: 72.151 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:23:44,975 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 150.48 -1961.6 16493 -18455 -18455 -0.00047622 -0.00038097 0.00085719 77513 2024-05-07 21:23:58,971 INFO [main.py:798]
{rank 0/64} MD step = 46800 step time: 00:00:00.143011 Performance: 72.154 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:24:08,046 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 150.67 -1940 16514 -18454 -18454 -0.00043812 -0.00049527 0.00045717 77717 2024-05-07 21:24:23,544 INFO [main.py:798]
{rank 0/64} MD step = 46900 step time: 00:00:00.145202 Performance: 72.150 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:24:31,103 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 148.19 -1978.5 16242 -18220 -18220 -0.00049527 -0.00055241 0.00047622 77847 2024-05-07 21:24:47,040 INFO [main.py:798]
{rank 0/64} MD step = 47000 step time: 00:00:00.158845 Performance: 72.153 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:24:52,760 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 149.55 -2165.4 16391 -18556 -18556 -0.00045717 -0.00068575 0.00064766 77991 2024-05-07 21:25:08,452 INFO [main.py:798]
{rank 0/64} MD step = 47100 step time: 00:00:00.151416 Performance: 72.169 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:25:15,806 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 150.86 -1786.1 16534 -18321 -18321 -0.00049527 -0.00076195 0.00038097 78127 2024-05-07 21:25:33,396 INFO [main.py:798]
{rank 0/64} MD step = 47200 step time: 00:00:00.162015 Performance: 72.162 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:25:42,732 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 148.43 -1914.1 16268 -18182 -18182 -0.00064766 -0.00076195 0.00064766 78281 2024-05-07 21:25:57,679 INFO [main.py:798]
{rank 0/64} MD step = 47300 step time: 00:00:00.165434 Performance: 72.160 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:26:06,661 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 151.01 -1839.7 16550 -18390 -18390 -0.00072385 -0.00076195 0.00043812 78409 2024-05-07 21:26:21,955 INFO [main.py:798]
{rank 0/64} MD step = 47400 step time: 00:00:00.139148 Performance: 72.158 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:26:28,573 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 150.83 -1870.1 16531 -18401 -18401 -0.0007429 -0.00083814 0.00022858 78531 2024-05-07 21:26:44,485 INFO [main.py:798]
{rank 0/64} MD step = 47500 step time: 00:00:00.156066 Performance: 72.167 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:26:55,855 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 150.72 -1951.7 16520 -18471 -18471 -0.0006667 -0.00059051 0.00053336 78701 2024-05-07 21:27:12,049 INFO [main.py:798]
{rank 0/64} MD step = 47600 step time: 00:00:00.156088 Performance: 72.144 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:27:26,073 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 150.12 -2249.9 16453 -18703 -18703 -0.00057146 -0.00096196 0.00083814 78847 2024-05-07 21:27:41,942 INFO [main.py:798]
{rank 0/64} MD step = 47700 step time: 00:00:00.151686 Performance: 72.107 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:27:48,908 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 148.62 -2134.8 16289 -18423 -18423 -0.00053336 -0.00064766 0.00076195 79003 2024-05-07 21:28:04,924 INFO [main.py:798]
{rank 0/64} MD step = 47800 step time: 00:00:00.149202 Performance: 72.113 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:28:11,763 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 149.62 -1873.3 16399 -18272 -18272 -0.00026668 -0.00091434 0.00059527 79205 2024-05-07 21:28:27,310 INFO [main.py:798]
{rank 0/64} MD step = 47900 step time: 00:00:00.137051 Performance: 72.123 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 21:28:35,753 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 150.44 -1795.4 16489 -18284 -18284 -0.00049527 -0.00049527 0.00068575 79335 2024-05-07 21:28:56,632 INFO [main.py:798]
{rank 0/64} MD step = 48000 step time: 00:00:00.154602 Performance: 72.089 ns/day 0.333 hours/ns 4.172 steps/s 2024-05-07 21:29:05,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48000 9600 150.1 -2020.5 16451 -18471 -18471 -0.00053813 -0.0007048 0.00057146 79503 2024-05-07 21:29:21,268 INFO [main.py:798]
{rank 0/64} MD step = 48100 step time: 00:00:00.154206 Performance: 72.085 ns/day 0.333 hours/ns 4.172 steps/s 2024-05-07 21:29:26,594 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 147.55 -1962 16172 -18134 -18134 -0.00074766 -0.00060956 0.00080005 79681 2024-05-07 21:29:43,386 INFO [main.py:798]
{rank 0/64} MD step = 48200 step time: 00:00:00.147991 Performance: 72.097 ns/day 0.333 hours/ns 4.172 steps/s 2024-05-07 21:29:50,348 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 153.01 -1555.3 16770 -18325 -18325 -0.00064766 -0.00081909 0.00060956 79813 2024-05-07 21:30:06,093 INFO [main.py:798]
{rank 0/64} MD step = 48300 step time: 00:00:00.144974 Performance: 72.104 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:30:12,831 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 149.6 -1959.4 16396 -18355 -18355 -0.00038097 -0.00080005 0.00062861 79998 2024-05-07 21:30:27,842 INFO [main.py:798]
{rank 0/64} MD step = 48400 step time: 00:00:00.161130 Performance: 72.118 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 21:30:34,538 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 149.78 -1814.4 16416 -18230 -18230 -0.00045717 -0.00053336 0.00028573 80148 2024-05-07 21:30:50,203 INFO [main.py:798]
{rank 0/64} MD step = 48500 step time: 00:00:00.150203 Performance: 72.128 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 21:30:57,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48500 9700 148.83 -2063.5 16312 -18376 -18376 -0.00092862 -0.0007429 0.00057146 80298 2024-05-07 21:31:12,991 INFO [main.py:798]
{rank 0/64} MD step = 48600 step time: 00:00:00.154636 Performance: 72.135 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:31:22,087 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 148.87 -1838.3 16316 -18154 -18154 -0.00091434 -0.00069528 0.00072385 80462 2024-05-07 21:31:37,920 INFO [main.py:798]
{rank 0/64} MD step = 48700 step time: 00:00:00.159964 Performance: 72.129 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 21:31:46,452 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 149.81 -1762 16419 -18181 -18181 -0.00068575 -0.00053336 0.00063813 80673 2024-05-07 21:32:02,457 INFO [main.py:798]
{rank 0/64} MD step = 48800 step time: 00:00:00.156448 Performance: 72.126 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 21:32:13,938 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 150.72 -1706.5 16519 -18225 -18225 -0.00015239 -0.00072385 0.00099053 80840 2024-05-07 21:32:29,660 INFO [main.py:798]
{rank 0/64} MD step = 48900 step time: 00:00:00.162006 Performance: 72.106 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:32:34,861 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 148.65 -1970.7 16292 -18263 -18263 -0.00049527 -0.00019049 0.00064766 80976 2024-05-07 21:32:52,738 INFO [main.py:798]
{rank 0/64} MD step = 49000 step time: 00:00:00.158557 Performance: 72.111 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:33:00,555 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 151.25 -1742.8 16578 -18320 -18320 -0.00087624 -0.00060956 0.00083814 81177 2024-05-07 21:33:16,550 INFO [main.py:798]
{rank 0/64} MD step = 49100 step time: 00:00:00.157933 Performance: 72.112 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:33:26,006 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 151.66 -1718.6 16622 -18340 -18340 -0.00087624 -0.00047622 0.00049527 81354 2024-05-07 21:33:41,746 INFO [main.py:798]
{rank 0/64} MD step = 49200 step time: 00:00:00.157111 Performance: 72.105 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:33:46,978 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 148.58 -2111.4 16284 -18396 -18396 -0.00053336 -0.00049527 0.00080005 81490 2024-05-07 21:34:05,879 INFO [main.py:798]
{rank 0/64} MD step = 49300 step time: 00:00:00.157522 Performance: 72.104 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:34:13,364 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 146.69 -2497.8 16078 -18575 -18575 -0.00049527 -0.00049527 0.0007429 81610 2024-05-07 21:34:29,245 INFO [main.py:798]
{rank 0/64} MD step = 49400 step time: 00:00:00.155318 Performance: 72.107 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:34:40,073 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 151.84 -1694.1 16642 -18336 -18336 -0.00057146 -0.00047622 0.00043336 81802 2024-05-07 21:34:54,077 INFO [main.py:798]
{rank 0/64} MD step = 49500 step time: 00:00:00.134049 Performance: 72.102 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:35:08,035 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 148.24 -2227.8 16247 -18475 -18475 -0.00038574 -0.00055241 0.00080005 81953 2024-05-07 21:35:23,483 INFO [main.py:798]
{rank 0/64} MD step = 49600 step time: 00:00:00.153626 Performance: 72.069 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:35:28,574 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 149.85 -1924.7 16423 -18348 -18348 -0.00085719 -0.00076195 0.00072385 82125 2024-05-07 21:35:45,887 INFO [main.py:798]
{rank 0/64} MD step = 49700 step time: 00:00:00.158220 Performance: 72.079 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:35:52,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49700 9940 150.34 -1978.2 16477 -18455 -18455 -0.00080005 -0.00036193 0.00026668 82277 2024-05-07 21:36:08,209 INFO [main.py:798]
{rank 0/64} MD step = 49800 step time: 00:00:00.153900 Performance: 72.089 ns/day 0.333 hours/ns 4.172 steps/s 2024-05-07 21:36:14,925 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 152.19 -1658.9 16680 -18339 -18339 -0.00050479 -0.00076195 0.00051431 82414 2024-05-07 21:36:31,141 INFO [main.py:798]
{rank 0/64} MD step = 49900 step time: 00:00:00.154827 Performance: 72.095 ns/day 0.333 hours/ns 4.172 steps/s 2024-05-07 21:36:39,162 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 147.46 -2335.8 16162 -18498 -18498 -0.00095243 -0.00083814 0.00081909 82579 2024-05-07 21:36:55,046 INFO [main.py:798]
{rank 0/64} MD step = 50000 step time: 00:00:00.153523 Performance: 72.095 ns/day 0.333 hours/ns 4.172 steps/s 2024-05-07 21:37:05,811 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 148.81 -2216.8 16310 -18527 -18527 -0.00036193 -0.00099053 0.0006667 82738 2024-05-07 21:37:21,837 INFO [main.py:798]
{rank 0/64} MD step = 50100 step time: 00:00:00.162539 Performance: 72.078 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:37:29,827 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 150.44 -1783.5 16489 -18272 -18272 -0.00043812 -0.00062861 0.00084767 82870 2024-05-07 21:37:46,220 INFO [main.py:798]
{rank 0/64} MD step = 50200 step time: 00:00:00.192859 Performance: 72.076 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:37:56,885 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 150.49 -1758.3 16494 -18253 -18253 -0.00045717 -0.00057146 0.0006667 83020 2024-05-07 21:38:12,478 INFO [main.py:798]
{rank 0/64} MD step = 50300 step time: 00:00:00.155608 Performance: 72.062 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 21:38:23,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50300 10060 149.74 -2024.9 16411 -18436 -18436 -0.0006667 -0.0007048 0.00049527 83129 2024-05-07 21:38:38,861 INFO [main.py:798]
{rank 0/64} MD step = 50400 step time: 00:00:00.146310 Performance: 72.048 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 21:38:58,521 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 152.63 -1638.7 16728 -18367 -18367 -0.00072385 -0.00081909 0.00057146 83307 2024-05-07 21:39:14,695 INFO [main.py:798]
{rank 0/64} MD step = 50500 step time: 00:00:00.170387 Performance: 71.977 ns/day 0.333 hours/ns 4.165 steps/s 2024-05-07 21:39:21,228 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 148.5 -2191 16275 -18466 -18466 -0.00080005 -0.00060956 0.00088576 83429 2024-05-07 21:39:37,034 INFO [main.py:798]
{rank 0/64} MD step = 50600 step time: 00:00:00.176473 Performance: 71.987 ns/day 0.333 hours/ns 4.166 steps/s 2024-05-07 21:39:44,183 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 149.89 -2005.2 16429 -18434 -18434 -0.00095243 -0.00097148 0.00049527 83576 2024-05-07 21:39:59,535 INFO [main.py:798]
{rank 0/64} MD step = 50700 step time: 00:00:00.172262 Performance: 71.996 ns/day 0.333 hours/ns 4.166 steps/s 2024-05-07 21:40:06,907 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 151.08 -1842.4 16559 -18401 -18401 -0.00053336 -0.00068575 0.00072385 83768 2024-05-07 21:40:22,205 INFO [main.py:798]
{rank 0/64} MD step = 50800 step time: 00:00:00.169568 Performance: 72.004 ns/day 0.333 hours/ns 4.167 steps/s 2024-05-07 21:40:25,285 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 150.56 -1830.6 16502 -18332 -18332 -0.00068575 -0.00095243 0.00047622 83973 2024-05-07 21:40:42,838 INFO [main.py:798]
{rank 0/64} MD step = 50900 step time: 00:00:00.159427 Performance: 72.024 ns/day 0.333 hours/ns 4.168 steps/s 2024-05-07 21:40:48,820 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 151.3 -1816.4 16583 -18399 -18399 -0.00085719 -0.00060956 0.00099053 84108 2024-05-07 21:41:04,278 INFO [main.py:798]
{rank 0/64} MD step = 51000 step time: 00:00:00.152137 Performance: 72.039 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 21:41:09,814 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 151.67 -1677.7 16623 -18301 -18301 -0.00059527 -0.00053336 0.00053336 84251 2024-05-07 21:41:27,814 INFO [main.py:798]
{rank 0/64} MD step = 51100 step time: 00:00:00.151285 Performance: 72.042 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 21:41:34,429 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 149.52 -2110.8 16388 -18499 -18499 -0.00070956 -0.00060956 0.0007429 84382 2024-05-07 21:41:49,494 INFO [main.py:798]
{rank 0/64} MD step = 51200 step time: 00:00:00.161948 Performance: 72.055 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 21:42:00,638 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 148.74 -2200.6 16302 -18502 -18502 -0.00052384 -0.00034288 0.00051908 84507 2024-05-07 21:42:14,305 INFO [main.py:798]
{rank 0/64} MD step = 51300 step time: 00:00:00.143239 Performance: 72.050 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 21:42:19,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51300 10260 149.5 -1930.9 16385 -18316 -18316 -0.00038097 -0.00076195 0.00076195 84666 2024-05-07 21:42:35,562 INFO [main.py:798]
{rank 0/64} MD step = 51400 step time: 00:00:00.152405 Performance: 72.066 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 21:42:43,361 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 150.7 -1850.5 16517 -18368 -18368 -0.0006667 -0.00076195 0.00049527 84795 2024-05-07 21:42:58,998 INFO [main.py:798]
{rank 0/64} MD step = 51500 step time: 00:00:00.157544 Performance: 72.069 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:43:06,280 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 150.14 -1842.9 16456 -18298 -18298 -0.00045717 -0.00041907 0.000781 84999 2024-05-07 21:43:22,108 INFO [main.py:798]
{rank 0/64} MD step = 51600 step time: 00:00:00.154720 Performance: 72.074 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:43:29,339 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 150.75 -1837.4 16522 -18360 -18360 -0.00045717 -0.00041907 0.00045717 85126 2024-05-07 21:43:45,377 INFO [main.py:798]
{rank 0/64} MD step = 51700 step time: 00:00:00.148503 Performance: 72.079 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:43:52,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51700 10340 148.94 -2094.9 16324 -18419 -18419 -0.00045717 -0.00057146 0.00057146 85288 2024-05-07 21:44:08,562 INFO [main.py:798]
{rank 0/64} MD step = 51800 step time: 00:00:00.153721 Performance: 72.083 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:44:18,636 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 151.49 -1694.5 16604 -18298 -18298 -0.00081909 -0.00060956 0.00080005 85427 2024-05-07 21:44:34,709 INFO [main.py:798]
{rank 0/64} MD step = 51900 step time: 00:00:00.138801 Performance: 72.070 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:44:49,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51900 10380 150.9 -2089.8 16538 -18628 -18628 -0.00045717 -0.00038097 0.00076195 85596 2024-05-07 21:45:04,857 INFO [main.py:798]
{rank 0/64} MD step = 52000 step time: 00:00:00.164387 Performance: 72.035 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 21:45:12,183 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 150.94 -1941.7 16543 -18485 -18485 -0.00080005 -0.00064766 0.00091434 85751 2024-05-07 21:45:28,903 INFO [main.py:798]
{rank 0/64} MD step = 52100 step time: 00:00:00.154764 Performance: 72.034 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 21:45:36,313 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 150.56 -1689.9 16502 -18192 -18192 -0.00088576 -0.00042383 0.00080005 85989 2024-05-07 21:45:51,605 INFO [main.py:798]
{rank 0/64} MD step = 52200 step time: 00:00:00.149004 Performance: 72.042 ns/day 0.333 hours/ns 4.169 steps/s 2024-05-07 21:45:58,205 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 150.52 -1693 16497 -18190 -18190 -0.00026668 -0.00067623 0.00041907 86190 2024-05-07 21:46:14,196 INFO [main.py:798]
{rank 0/64} MD step = 52300 step time: 00:00:00.156031 Performance: 72.050 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 21:46:21,334 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 151.45 -2078.1 16599 -18678 -18678 -0.00060956 -0.00034288 0.00072385 86313 2024-05-07 21:46:36,021 INFO [main.py:798]
{rank 0/64} MD step = 52400 step time: 00:00:00.159786 Performance: 72.062 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-07 21:46:42,055 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 146.57 -2228.6 16064 -18293 -18293 -0.00034288 -0.00015239 0.0007429 86505 2024-05-07 21:46:57,954 INFO [main.py:798]
{rank 0/64} MD step = 52500 step time: 00:00:00.168496 Performance: 72.074 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:47:04,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52500 10500 152.06 -2006.6 16666 -18673 -18673 -0.00095243 -0.00091434 0.00045717 86578 2024-05-07 21:47:20,294 INFO [main.py:798]
{rank 0/64} MD step = 52600 step time: 00:00:00.169172 Performance: 72.083 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-07 21:47:24,693 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 150.23 -1935.9 16466 -18402 -18402 -0.00091434 -0.00051431 0.00053336 86790 2024-05-07 21:47:42,498 INFO [main.py:798]
{rank 0/64} MD step = 52700 step time: 00:00:00.162495 Performance: 72.093 ns/day 0.333 hours/ns 4.172 steps/s 2024-05-07 21:47:48,364 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 150.02 -2012.8 16443 -18455 -18455 -0.00081909 -0.00075242 0.00045717 86944 2024-05-07 21:48:04,280 INFO [main.py:798]
{rank 0/64} MD step = 52800 step time: 00:00:00.159036 Performance: 72.106 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:48:10,853 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 148.83 -2183.5 16312 -18496 -18496 -0.00080005 -0.00045717 0.00057146 87134 2024-05-07 21:48:26,607 INFO [main.py:798]
{rank 0/64} MD step = 52900 step time: 00:00:00.157390 Performance: 72.115 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:48:34,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52900 10580 149.65 -2010.6 16401 -18412 -18412 -0.00043812 -0.00091434 0.00051431 87318 2024-05-07 21:48:50,562 INFO [main.py:798]
{rank 0/64} MD step = 53000 step time: 00:00:00.157621 Performance: 72.115 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:48:58,591 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 151.02 -1840.5 16552 -18393 -18393 -0.00085719 -0.00064766 0.00040002 87546 2024-05-07 21:49:14,312 INFO [main.py:798]
{rank 0/64} MD step = 53100 step time: 00:00:00.156634 Performance: 72.116 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-07 21:49:21,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53100 10620 148.82 -2062.7 16311 -18373 -18373 -0.00038097 -0.00093339 0.00068575 87704 2024-05-07 21:49:37,038 INFO [main.py:798]
{rank 0/64} MD step = 53200 step time: 00:00:00.154063 Performance: 72.123 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 21:49:43,454 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 151.14 -1669.2 16565 -18234 -18234 -0.00068575 -0.00051431 0.00040002 87869 2024-05-07 21:49:59,441 INFO [main.py:798]
{rank 0/64} MD step = 53300 step time: 00:00:00.161214 Performance: 72.132 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 21:50:07,109 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 148.87 -2284.5 16316 -18601 -18601 -0.00038097 -0.00053336 0.00087624 88040 2024-05-07 21:50:22,620 INFO [main.py:798]
{rank 0/64} MD step = 53400 step time: 00:00:00.149223 Performance: 72.137 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:50:27,610 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 149.27 -2019.8 16360 -18380 -18380 -0.00087624 -0.00052384 0.00055241 88199 2024-05-07 21:50:45,361 INFO [main.py:798]
{rank 0/64} MD step = 53500 step time: 00:00:00.159908 Performance: 72.143 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 21:50:51,480 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 152.24 -1900.1 16686 -18586 -18586 -0.00055241 -0.00040002 0.00038097 88379 2024-05-07 21:51:06,279 INFO [main.py:798]
{rank 0/64} MD step = 53600 step time: 00:00:00.189818 Performance: 72.160 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 21:51:12,811 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 148.37 -2255 16262 -18517 -18517 -0.00080005 -0.00049527 0.00053336 88570 2024-05-07 21:51:28,319 INFO [main.py:798]
{rank 0/64} MD step = 53700 step time: 00:00:00.170761 Performance: 72.171 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 21:51:35,815 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 148.71 -2157.3 16299 -18456 -18456 -0.00053336 -0.00041907 0.00098101 88736 2024-05-07 21:51:51,682 INFO [main.py:798]
{rank 0/64} MD step = 53800 step time: 00:00:00.167769 Performance: 72.174 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 21:51:58,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53800 10760 150.15 -2013.5 16457 -18470 -18470 -0.00084767 -0.0010001 0.00034288 88860 2024-05-07 21:52:14,404 INFO [main.py:798]
{rank 0/64} MD step = 53900 step time: 00:00:00.161532 Performance: 72.181 ns/day 0.332 hours/ns 4.177 steps/s 2024-05-07 21:52:21,380 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 148.78 -2125.9 16307 -18433 -18433 -0.00047622 -0.00059051 0.00057146 89053 2024-05-07 21:52:37,249 INFO [main.py:798]
{rank 0/64} MD step = 54000 step time: 00:00:00.159645 Performance: 72.187 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 21:52:48,887 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 148.64 -2376.8 16291 -18668 -18668 -0.00045717 -0.00045717 0.00084767 89204 2024-05-07 21:53:03,264 INFO [main.py:798]
{rank 0/64} MD step = 54100 step time: 00:00:00.164286 Performance: 72.176 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 21:53:12,309 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 147.93 -2372.6 16213 -18586 -18586 -0.00066194 -0.00072385 0.00026668 89385 2024-05-07 21:53:27,896 INFO [main.py:798]
{rank 0/64} MD step = 54200 step time: 00:00:00.163019 Performance: 72.172 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 21:53:33,978 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 148.74 -2124.5 16303 -18427 -18427 -0.00067623 -0.00045717 0.00059051 89580 2024-05-07 21:53:49,225 INFO [main.py:798]
{rank 0/64} MD step = 54300 step time: 00:00:00.157153 Performance: 72.186 ns/day 0.332 hours/ns 4.177 steps/s 2024-05-07 21:53:52,848 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 151.65 -1839.8 16621 -18461 -18461 -0.00080005 -0.00060956 0.00016191 89693 2024-05-07 21:54:10,273 INFO [main.py:798]
{rank 0/64} MD step = 54400 step time: 00:00:00.163396 Performance: 72.203 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 21:54:19,915 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 151.11 -1925.9 16562 -18488 -18488 -0.00081909 -0.00060956 0.00059051 89856 2024-05-07 21:54:35,628 INFO [main.py:798]
{rank 0/64} MD step = 54500 step time: 00:00:00.163192 Performance: 72.195 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 21:54:39,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54500 10900 148.22 -2093.5 16245 -18338 -18338 -0.00059051 -0.00041907 0.00055241 90038 2024-05-07 21:54:56,206 INFO [main.py:798]
{rank 0/64} MD step = 54600 step time: 00:00:00.181946 Performance: 72.213 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 21:55:02,433 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 149.31 -2366 16365 -18731 -18731 -0.00068575 -0.00053336 0.00053336 90166 2024-05-07 21:55:18,014 INFO [main.py:798]
{rank 0/64} MD step = 54700 step time: 00:00:00.158791 Performance: 72.225 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 21:55:22,776 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 152.17 -1842.6 16678 -18521 -18521 -0.00072385 -0.00030478 0.00083814 90327 2024-05-07 21:55:37,781 INFO [main.py:798]
{rank 0/64} MD step = 54800 step time: 00:00:00.157250 Performance: 72.248 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 21:55:44,063 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 151.44 -1788 16598 -18386 -18386 -0.00026668 -0.00041907 0.00068575 90545 2024-05-07 21:55:59,840 INFO [main.py:798]
{rank 0/64} MD step = 54900 step time: 00:00:00.154997 Performance: 72.258 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 21:56:06,838 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 152.03 -1833.4 16663 -18496 -18496 -0.00059051 -0.00076195 0.00057146 90765 2024-05-07 21:56:22,709 INFO [main.py:798]
{rank 0/64} MD step = 55000 step time: 00:00:00.163472 Performance: 72.264 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 21:56:27,924 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 150.24 -1955.9 16466 -18422 -18422 -0.00087624 -0.00053336 0.00024763 90923 2024-05-07 21:56:44,090 INFO [main.py:798]
{rank 0/64} MD step = 55100 step time: 00:00:00.161492 Performance: 72.278 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 21:56:57,145 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 151.22 -1754.7 16573 -18328 -18328 -0.00067623 -0.00049527 0.00053336 91102 2024-05-07 21:57:12,012 INFO [main.py:798]
{rank 0/64} MD step = 55200 step time: 00:00:00.160471 Performance: 72.256 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 21:57:17,815 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 149.75 -1957.4 16413 -18370 -18370 -0.00079052 -0.00071433 0.0007048 91260 2024-05-07 21:57:34,111 INFO [main.py:798]
{rank 0/64} MD step = 55300 step time: 00:00:00.149171 Performance: 72.266 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 21:57:42,979 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 149.17 -1804.5 16350 -18154 -18154 -0.00059051 -0.00057146 0.00038097 91448 2024-05-07 21:57:58,588 INFO [main.py:798]
{rank 0/64} MD step = 55400 step time: 00:00:00.165992 Performance: 72.263 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 21:58:04,743 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 151.08 -1881.3 16558 -18440 -18440 -0.00087624 -0.00064766 0.00036193 91576 2024-05-07 21:58:19,400 INFO [main.py:798]
{rank 0/64} MD step = 55500 step time: 00:00:00.165664 Performance: 72.279 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 21:58:25,341 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 150.8 -1801.4 16527 -18329 -18329 -0.00041907 -0.00041907 0.0010667 91773 2024-05-07 21:58:40,632 INFO [main.py:798]
{rank 0/64} MD step = 55600 step time: 00:00:00.151412 Performance: 72.294 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 21:58:49,081 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 149.05 -2246.9 16336 -18583 -18583 -0.00060956 -0.00064766 0.00057146 91942 2024-05-07 21:59:04,781 INFO [main.py:798]
{rank 0/64} MD step = 55700 step time: 00:00:00.159314 Performance: 72.293 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 21:59:10,827 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 148.9 -2225.8 16319 -18545 -18545 -0.00047622 -0.00068575 0.00089529 92075 2024-05-07 21:59:25,987 INFO [main.py:798]
{rank 0/64} MD step = 55800 step time: 00:00:00.154551 Performance: 72.307 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 21:59:37,539 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 153.73 -1536.2 16848 -18385 -18385 -0.00091434 -0.00076195 0.00081909 92243 2024-05-07 21:59:51,535 INFO [main.py:798]
{rank 0/64} MD step = 55900 step time: 00:00:00.152356 Performance: 72.298 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 22:00:00,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55900 11180 147.75 -2110.4 16193 -18304 -18304 -0.00051431 -0.00087148 0.00087624 92373 2024-05-07 22:00:15,692 INFO [main.py:798]
{rank 0/64} MD step = 56000 step time: 00:00:00.138397 Performance: 72.297 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 22:00:25,897 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 149.47 -1927 16382 -18309 -18309 -0.00026668 -0.00047622 0.00062861 92550 2024-05-07 22:00:45,383 INFO [main.py:798]
{rank 0/64} MD step = 56100 step time: 00:00:00.158037 Performance: 72.266 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:00:51,782 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 152.1 -1497.4 16671 -18168 -18168 -0.00057146 -0.00076195 0.00057146 92750 2024-05-07 22:01:08,143 INFO [main.py:798]
{rank 0/64} MD step = 56200 step time: 00:00:00.145717 Performance: 72.272 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:01:13,023 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 150.6 -1710.8 16506 -18217 -18217 -0.00076195 -0.00057622 0.00045717 92855 2024-05-07 22:01:28,845 INFO [main.py:798]
{rank 0/64} MD step = 56300 step time: 00:00:00.147110 Performance: 72.289 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 22:01:37,159 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 151.6 -1536 16616 -18152 -18152 -0.00049527 -0.0007048 0.00045717 93026 2024-05-07 22:01:53,195 INFO [main.py:798]
{rank 0/64} MD step = 56400 step time: 00:00:00.144819 Performance: 72.287 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 22:02:02,986 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 146.82 -1910.8 16092 -18003 -18003 -0.00062861 -0.00040002 0.00064766 93206 2024-05-07 22:02:19,983 INFO [main.py:798]
{rank 0/64} MD step = 56500 step time: 00:00:00.142404 Performance: 72.271 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:02:29,744 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 151.73 -1628.1 16630 -18258 -18258 -0.00068575 -0.0010382 0.00060956 93390 2024-05-07 22:02:45,802 INFO [main.py:798]
{rank 0/64} MD step = 56600 step time: 00:00:00.157555 Performance: 72.261 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:02:53,781 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 149.41 -2086.7 16376 -18462 -18462 -0.00068575 -0.00072385 0.00034288 93506 2024-05-07 22:03:09,547 INFO [main.py:798]
{rank 0/64} MD step = 56700 step time: 00:00:00.160251 Performance: 72.262 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:03:17,613 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 152.21 -1782.7 16683 -18465 -18465 -0.00061908 -0.00057146 0.00062861 93669 2024-05-07 22:03:33,910 INFO [main.py:798]
{rank 0/64} MD step = 56800 step time: 00:00:00.157196 Performance: 72.260 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:03:43,921 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 152.94 -1647.2 16763 -18410 -18410 -0.00083814 -0.00045717 0.00083814 93793 2024-05-07 22:03:59,777 INFO [main.py:798]
{rank 0/64} MD step = 56900 step time: 00:00:00.161871 Performance: 72.249 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 22:04:08,426 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 150.22 -2013.2 16464 -18478 -18478 -0.00060956 -0.00095243 0.00022858 93950 2024-05-07 22:04:23,148 INFO [main.py:798]
{rank 0/64} MD step = 57000 step time: 00:00:00.159581 Performance: 72.252 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 22:04:30,295 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 150.31 -2066.7 16474 -18541 -18541 -0.00038097 -0.00030478 0.00072385 94085 2024-05-07 22:04:47,483 INFO [main.py:798]
{rank 0/64} MD step = 57100 step time: 00:00:00.146887 Performance: 72.250 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 22:04:54,520 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 148.93 -1839.4 16323 -18163 -18163 -0.0006667 -0.00099053 0.00065718 94283 2024-05-07 22:05:10,224 INFO [main.py:798]
{rank 0/64} MD step = 57200 step time: 00:00:00.153001 Performance: 72.256 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 22:05:15,430 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 148.63 -2182.5 16290 -18472 -18472 -0.00049527 -0.00041907 0.00038097 94452 2024-05-07 22:05:33,268 INFO [main.py:798]
{rank 0/64} MD step = 57300 step time: 00:00:00.151883 Performance: 72.261 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:05:39,682 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 151.13 -2042.1 16564 -18606 -18606 -0.00049527 -0.0010763 0.00045717 94617 2024-05-07 22:05:55,844 INFO [main.py:798]
{rank 0/64} MD step = 57400 step time: 00:00:00.156070 Performance: 72.268 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:06:04,355 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 152.13 -1670.4 16674 -18344 -18344 -0.00081909 -0.00045717 0.00026668 94808 2024-05-07 22:06:20,512 INFO [main.py:798]
{rank 0/64} MD step = 57500 step time: 00:00:00.168973 Performance: 72.264 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 22:06:26,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57500 11500 148.86 -1986.3 16315 -18301 -18301 -0.00030478 -0.00077147 0.00087624 94944 2024-05-07 22:06:41,876 INFO [main.py:798]
{rank 0/64} MD step = 57600 step time: 00:00:00.164732 Performance: 72.277 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 22:06:47,446 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 149.11 -1832.2 16342 -18174 -18174 -0.00059051 -0.00045717 0.00046669 95121 2024-05-07 22:07:04,522 INFO [main.py:798]
{rank 0/64} MD step = 57700 step time: 00:00:00.156164 Performance: 72.284 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 22:07:11,640 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 150.88 -1652.3 16537 -18189 -18189 -0.0007048 -0.00080005 0.00067623 95294 2024-05-07 22:07:27,828 INFO [main.py:798]
{rank 0/64} MD step = 57800 step time: 00:00:00.156573 Performance: 72.287 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 22:07:35,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57800 11560 151.83 -1617.6 16640 -18258 -18258 -0.00091434 -0.00076195 0.00030478 95434 2024-05-07 22:07:51,589 INFO [main.py:798]
{rank 0/64} MD step = 57900 step time: 00:00:00.154286 Performance: 72.288 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 22:07:58,333 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 149.98 -2022.2 16438 -18460 -18460 -0.0006667 -0.000781 0.00057146 95573 2024-05-07 22:08:13,848 INFO [main.py:798]
{rank 0/64} MD step = 58000 step time: 00:00:00.157421 Performance: 72.296 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 22:08:21,283 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 150.25 -1938.1 16468 -18406 -18406 -0.00041907 -0.00038097 0.00041907 95716 2024-05-07 22:08:37,145 INFO [main.py:798]
{rank 0/64} MD step = 58100 step time: 00:00:00.150765 Performance: 72.299 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 22:08:44,024 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 151 -1898.1 16550 -18448 -18448 -0.00060956 -0.00066194 0.00076195 95919 2024-05-07 22:08:59,750 INFO [main.py:798]
{rank 0/64} MD step = 58200 step time: 00:00:00.163559 Performance: 72.306 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 22:09:06,003 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 150.24 -2100.2 16466 -18566 -18566 -0.00076195 -0.00098101 0.00057146 96050 2024-05-07 22:09:20,655 INFO [main.py:798]
{rank 0/64} MD step = 58300 step time: 00:00:00.143327 Performance: 72.322 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 22:09:28,082 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 148.77 -2133 16306 -18439 -18439 -0.00072385 -0.00081909 0.00027621 96211 2024-05-07 22:09:44,215 INFO [main.py:798]
{rank 0/64} MD step = 58400 step time: 00:00:00.154759 Performance: 72.323 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 22:09:50,951 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 150.7 -1790.4 16517 -18307 -18307 -0.00072385 -0.00057146 0.00034288 96399 2024-05-07 22:10:06,968 INFO [main.py:798]
{rank 0/64} MD step = 58500 step time: 00:00:00.156888 Performance: 72.329 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 22:10:18,903 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 150.61 -1977.5 16507 -18484 -18484 -0.00064766 -0.00057146 0.00038097 96561 2024-05-07 22:10:34,561 INFO [main.py:798]
{rank 0/64} MD step = 58600 step time: 00:00:00.161956 Performance: 72.310 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 22:10:40,599 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 151.31 -1813.2 16584 -18397 -18397 -0.00038097 -0.00053336 0.00034288 96742 2024-05-07 22:10:56,243 INFO [main.py:798]
{rank 0/64} MD step = 58700 step time: 00:00:00.193430 Performance: 72.322 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 22:11:02,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58700 11740 148.43 -2188.1 16268 -18456 -18456 -0.00068575 -0.0007048 0.00065718 96915 2024-05-07 22:11:17,595 INFO [main.py:798]
{rank 0/64} MD step = 58800 step time: 00:00:00.169947 Performance: 72.335 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 22:11:23,176 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 150.54 -2053.4 16499 -18553 -18553 -0.00054289 -0.00087624 -0.00026668 97112 2024-05-07 22:11:38,559 INFO [main.py:798]
{rank 0/64} MD step = 58900 step time: 00:00:00.151666 Performance: 72.350 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 22:11:46,143 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 149 -2045.8 16331 -18376 -18376 -0.00064766 -0.00072385 0.00062861 97304 2024-05-07 22:12:01,630 INFO [main.py:798]
{rank 0/64} MD step = 59000 step time: 00:00:00.141471 Performance: 72.354 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 22:12:07,982 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 150.9 -1847.2 16539 -18386 -18386 -0.0006667 -0.00057146 0.00057146 97452 2024-05-07 22:12:23,693 INFO [main.py:798]
{rank 0/64} MD step = 59100 step time: 00:00:00.158796 Performance: 72.363 ns/day 0.332 hours/ns 4.188 steps/s 2024-05-07 22:12:31,410 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 150.08 -1833.4 16449 -18282 -18282 -0.00067623 -0.00057146 0.00083814 97639 2024-05-07 22:12:47,008 INFO [main.py:798]
{rank 0/64} MD step = 59200 step time: 00:00:00.145092 Performance: 72.366 ns/day 0.332 hours/ns 4.188 steps/s 2024-05-07 22:12:53,549 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 149.39 -2140.9 16373 -18514 -18514 -0.00057146 -0.00045717 0.0006667 97733 2024-05-07 22:13:09,569 INFO [main.py:798]
{rank 0/64} MD step = 59300 step time: 00:00:00.133382 Performance: 72.373 ns/day 0.332 hours/ns 4.188 steps/s 2024-05-07 22:13:14,771 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 151.33 -1673.2 16586 -18259 -18259 -0.00095243 -0.00053336 0.00030478 97935 2024-05-07 22:13:30,772 INFO [main.py:798]
{rank 0/64} MD step = 59400 step time: 00:00:00.144525 Performance: 72.386 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:13:38,343 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 150.47 -2045.7 16492 -18538 -18538 -0.00043812 -0.00068575 0.00049527 98087 2024-05-07 22:13:53,834 INFO [main.py:798]
{rank 0/64} MD step = 59500 step time: 00:00:00.133966 Performance: 72.391 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:13:59,505 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 153.52 -1772.4 16826 -18599 -18599 -0.00037621 -0.00060003 0.00041907 98251 2024-05-07 22:14:15,651 INFO [main.py:798]
{rank 0/64} MD step = 59600 step time: 00:00:00.159557 Performance: 72.401 ns/day 0.331 hours/ns 4.190 steps/s 2024-05-07 22:14:20,671 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 152.21 -1853.4 16683 -18536 -18536 -0.0003524 -0.00072385 0.00043812 98456 2024-05-07 22:14:36,649 INFO [main.py:798]
{rank 0/64} MD step = 59700 step time: 00:00:00.164321 Performance: 72.416 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 22:14:42,048 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 151.62 -1676.5 16618 -18295 -18295 -0.00034288 -0.00041907 0.00036193 98655 2024-05-07 22:14:57,880 INFO [main.py:798]
{rank 0/64} MD step = 59800 step time: 00:00:00.162925 Performance: 72.429 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 22:15:03,748 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 149.72 -1901.4 16409 -18311 -18311 -0.00051431 -0.00040002 0.00013334 98753 2024-05-07 22:15:19,998 INFO [main.py:798]
{rank 0/64} MD step = 59900 step time: 00:00:00.156214 Performance: 72.438 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:15:46,614 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 152.18 -1494.6 16679 -18173 -18173 -0.00060956 -0.00060003 0.00072385 98949 2024-05-07 22:16:01,975 INFO [main.py:798]
{rank 0/64} MD step = 60000 step time: 00:00:00.169553 Performance: 72.346 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 22:16:10,857 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 150.98 -1980.8 16547 -18528 -18528 -0.00064766 -0.00049527 0.00081909 99118 2024-05-07 22:16:26,859 INFO [main.py:798]
{rank 0/64} MD step = 60100 step time: 00:00:00.153812 Performance: 72.341 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 22:16:33,200 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 148.35 -2095.6 16259 -18355 -18355 -0.00053336 -0.00060956 0.00052384 99296 2024-05-07 22:16:48,857 INFO [main.py:798]
{rank 0/64} MD step = 60200 step time: 00:00:00.160329 Performance: 72.351 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 22:16:57,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60200 12040 150.31 -1986.4 16474 -18461 -18461 -0.00051431 -0.00045717 0.00091434 99435 2024-05-07 22:17:13,104 INFO [main.py:798]
{rank 0/64} MD step = 60300 step time: 00:00:00.158546 Performance: 72.349 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 22:17:21,377 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 149.24 -2125.5 16357 -18482 -18482 -0.0007429 -0.00072385 0.00080005 99602 2024-05-07 22:17:36,229 INFO [main.py:798]
{rank 0/64} MD step = 60400 step time: 00:00:00.193252 Performance: 72.353 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 22:17:41,463 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 151.57 -1681.1 16612 -18293 -18293 -0.00072385 -0.00068575 0.00064766 99773 2024-05-07 22:17:57,261 INFO [main.py:798]
{rank 0/64} MD step = 60500 step time: 00:00:00.148020 Performance: 72.367 ns/day 0.332 hours/ns 4.188 steps/s 2024-05-07 22:18:03,151 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 148.47 -2249.9 16273 -18522 -18522 -0.00080005 -0.00030478 0.00041907 99958 2024-05-07 22:18:18,714 INFO [main.py:798]
{rank 0/64} MD step = 60600 step time: 00:00:00.158285 Performance: 72.379 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:18:25,810 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 149.87 -1998.9 16426 -18425 -18425 -0.00083814 -0.0006667 0.00038097 1.0013e+05 2024-05-07 22:18:41,179 INFO [main.py:798]
{rank 0/64} MD step = 60700 step time: 00:00:00.141115 Performance: 72.386 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:18:48,130 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 148.52 -2277 16278 -18555 -18555 -0.00050479 -0.00062861 0.00049527 1.0025e+05 2024-05-07 22:19:03,750 INFO [main.py:798]
{rank 0/64} MD step = 60800 step time: 00:00:00.156026 Performance: 72.393 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:19:09,720 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 148.27 -2233.9 16250 -18484 -18484 -0.00085719 -0.00060956 0.0007429 1.0045e+05 2024-05-07 22:19:26,002 INFO [main.py:798]
{rank 0/64} MD step = 60900 step time: 00:00:00.153684 Performance: 72.401 ns/day 0.331 hours/ns 4.190 steps/s 2024-05-07 22:19:31,699 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 150.9 -2013.5 16539 -18552 -18552 -0.00056194 -0.0007048 0.00045717 1.006e+05 2024-05-07 22:19:46,894 INFO [main.py:798]
{rank 0/64} MD step = 61000 step time: 00:00:00.166535 Performance: 72.415 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 22:19:52,354 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 150.99 -2057.6 16548 -18606 -18606 -0.00057146 -0.00053336 0.00059051 1.0076e+05 2024-05-07 22:20:07,776 INFO [main.py:798]
{rank 0/64} MD step = 61100 step time: 00:00:00.155319 Performance: 72.430 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:20:14,160 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 151.31 -1896.8 16584 -18481 -18481 -0.00038097 -0.00047622 -0.00032383 1.0095e+05 2024-05-07 22:20:29,993 INFO [main.py:798]
{rank 0/64} MD step = 61200 step time: 00:00:00.149982 Performance: 72.438 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:20:34,996 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 150.05 -1856.1 16446 -18302 -18302 -0.00015239 -0.00071433 0.00010477 1.0112e+05 2024-05-07 22:20:52,612 INFO [main.py:798]
{rank 0/64} MD step = 61300 step time: 00:00:00.161113 Performance: 72.445 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:21:01,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61300 12260 150.18 -1955.3 16460 -18415 -18415 -0.00095243 -0.00072385 0.00064766 1.0124e+05 2024-05-07 22:21:16,433 INFO [main.py:798]
{rank 0/64} MD step = 61400 step time: 00:00:00.152649 Performance: 72.445 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:21:23,137 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 148.64 -2176.9 16291 -18468 -18468 -0.00085719 -0.0007429 0.00076195 1.014e+05 2024-05-07 22:21:39,407 INFO [main.py:798]
{rank 0/64} MD step = 61500 step time: 00:00:00.149117 Performance: 72.449 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:21:46,167 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 151.13 -1906.1 16563 -18470 -18470 -0.00076195 -0.0006048 0.00093339 1.0159e+05 2024-05-07 22:22:02,156 INFO [main.py:798]
{rank 0/64} MD step = 61600 step time: 00:00:00.152679 Performance: 72.454 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:22:08,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61600 12320 150.83 -1835.2 16531 -18366 -18366 -0.00053336 -0.00076195 0.00045717 1.0177e+05 2024-05-07 22:22:26,292 INFO [main.py:798]
{rank 0/64} MD step = 61700 step time: 00:00:00.156968 Performance: 72.453 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:22:34,348 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 150.8 -1904.9 16528 -18433 -18433 -0.00093339 -0.00095243 0.00076195 1.0192e+05 2024-05-07 22:22:49,912 INFO [main.py:798]
{rank 0/64} MD step = 61800 step time: 00:00:00.158741 Performance: 72.454 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:22:56,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61800 12360 152.83 -1658.7 16751 -18410 -18410 -0.00047622 -0.00080005 0.00060956 1.0204e+05 2024-05-07 22:23:12,034 INFO [main.py:798]
{rank 0/64} MD step = 61900 step time: 00:00:00.143810 Performance: 72.463 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:23:20,195 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 149.75 -2108.3 16413 -18521 -18521 -0.00080005 -0.00038097 0.00045717 1.0222e+05 2024-05-07 22:23:36,594 INFO [main.py:798]
{rank 0/64} MD step = 62000 step time: 00:00:00.154933 Performance: 72.459 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:23:43,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62000 12400 149.59 -2157 16395 -18552 -18552 -0.0010286 -0.00087624 0.00083814 1.0235e+05 2024-05-07 22:23:59,290 INFO [main.py:798]
{rank 0/64} MD step = 62100 step time: 00:00:00.150848 Performance: 72.465 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:24:06,257 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 153.32 -1634.1 16804 -18438 -18438 -0.00080005 -0.00047622 0.00072385 1.0253e+05 2024-05-07 22:24:25,818 INFO [main.py:798]
{rank 0/64} MD step = 62200 step time: 00:00:00.136753 Performance: 72.452 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:24:32,940 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 150.16 -1913.4 16457 -18371 -18371 -0.00045717 -0.00059051 0.00064766 1.0271e+05 2024-05-07 22:24:49,071 INFO [main.py:798]
{rank 0/64} MD step = 62300 step time: 00:00:00.160175 Performance: 72.455 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:24:55,429 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 150.54 -2130.6 16500 -18630 -18630 -0.00036193 -0.00049527 0.00038097 1.0283e+05 2024-05-07 22:25:10,980 INFO [main.py:798]
{rank 0/64} MD step = 62400 step time: 00:00:00.162789 Performance: 72.464 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:25:19,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62400 12480 149.92 -1878.6 16432 -18311 -18311 -0.00053336 -0.000781 -0.00015239 1.0301e+05 2024-05-07 22:25:35,859 INFO [main.py:798]
{rank 0/64} MD step = 62500 step time: 00:00:00.158600 Performance: 72.459 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:25:42,349 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 150.75 -1879.1 16522 -18402 -18402 -0.0007429 -0.00053336 0.00040002 1.0319e+05 2024-05-07 22:25:58,357 INFO [main.py:798]
{rank 0/64} MD step = 62600 step time: 00:00:00.159692 Performance: 72.466 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:26:05,081 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 152.66 -1854.5 16731 -18586 -18586 -0.00072385 -0.00064766 0.00068575 1.0334e+05 2024-05-07 22:26:21,221 INFO [main.py:798]
{rank 0/64} MD step = 62700 step time: 00:00:00.154782 Performance: 72.470 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:26:27,375 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 149.33 -1861.9 16367 -18229 -18229 -0.00064766 -0.00091434 0.00076195 1.0359e+05 2024-05-07 22:26:46,328 INFO [main.py:798]
{rank 0/64} MD step = 62800 step time: 00:00:00.170502 Performance: 72.464 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:26:52,512 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 150.65 -1749 16512 -18261 -18261 -0.00060956 -0.00053336 0.00034288 1.0372e+05 2024-05-07 22:27:09,266 INFO [main.py:798]
{rank 0/64} MD step = 62900 step time: 00:00:00.156610 Performance: 72.469 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:27:18,295 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 148.54 -1978.7 16280 -18258 -18258 -0.00060956 -0.00085719 0.00036193 1.0384e+05 2024-05-07 22:27:34,350 INFO [main.py:798]
{rank 0/64} MD step = 63000 step time: 00:00:00.162074 Performance: 72.463 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:27:43,464 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 151.88 -1411.9 16646 -18058 -18058 -0.00021906 -0.00045717 0.00085719 1.0399e+05 2024-05-07 22:27:58,671 INFO [main.py:798]
{rank 0/64} MD step = 63100 step time: 00:00:00.162624 Performance: 72.460 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:28:05,604 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 149.67 -1846.5 16404 -18251 -18251 -0.00027621 -0.00088576 0.00045717 1.0417e+05 2024-05-07 22:28:21,410 INFO [main.py:798]
{rank 0/64} MD step = 63200 step time: 00:00:00.169639 Performance: 72.466 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:28:29,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63200 12640 147.94 -2100.1 16214 -18314 -18314 -0.00057146 -0.00038097 0.00080005 1.0433e+05 2024-05-07 22:28:44,769 INFO [main.py:798]
{rank 0/64} MD step = 63300 step time: 00:00:00.169199 Performance: 72.468 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:28:52,237 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 148.75 -2073.6 16303 -18377 -18377 -0.00068575 -0.00052384 0.00055241 1.0446e+05 2024-05-07 22:29:07,647 INFO [main.py:798]
{rank 0/64} MD step = 63400 step time: 00:00:00.154327 Performance: 72.473 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:29:19,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63400 12680 152.9 -1558 16758 -18316 -18316 -0.00090481 -0.00089529 0.00049527 1.0464e+05 2024-05-07 22:29:36,250 INFO [main.py:798]
{rank 0/64} MD step = 63500 step time: 00:00:00.194273 Performance: 72.450 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:29:47,573 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 152.14 -1780.4 16674 -18455 -18455 -0.00097148 -0.00053336 0.00047622 1.048e+05 2024-05-07 22:30:03,467 INFO [main.py:798]
{rank 0/64} MD step = 63600 step time: 00:00:00.153081 Performance: 72.434 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:30:10,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63600 12720 148.77 -2072.9 16305 -18378 -18378 -0.00036193 -0.00060956 0.00060956 1.049e+05 2024-05-07 22:30:27,310 INFO [main.py:798]
{rank 0/64} MD step = 63700 step time: 00:00:00.142803 Performance: 72.434 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:30:36,935 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 148.55 -2234.2 16282 -18516 -18516 -0.00053336 -0.00084767 0.00060956 1.0506e+05 2024-05-07 22:30:52,600 INFO [main.py:798]
{rank 0/64} MD step = 63800 step time: 00:00:00.162127 Performance: 72.427 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 22:30:59,330 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 148.69 -2057.4 16297 -18354 -18354 -0.00084767 -0.00040955 0.00080005 1.0521e+05 2024-05-07 22:31:15,263 INFO [main.py:798]
{rank 0/64} MD step = 63900 step time: 00:00:00.154756 Performance: 72.433 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:31:21,981 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 149.85 -1794.1 16424 -18218 -18218 -0.00080005 -0.00076195 0.0007429 1.054e+05 2024-05-07 22:31:37,212 INFO [main.py:798]
{rank 0/64} MD step = 64000 step time: 00:00:00.148848 Performance: 72.442 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:31:45,737 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 151.06 -1833.5 16556 -18390 -18390 -0.00087624 -0.00065242 0.00051431 1.0548e+05 2024-05-07 22:32:00,964 INFO [main.py:798]
{rank 0/64} MD step = 64100 step time: 00:00:00.136792 Performance: 72.442 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:32:06,675 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 150.34 -1775.7 16478 -18254 -18254 -0.00034288 -0.00059051 0.00097148 1.057e+05 2024-05-07 22:32:22,794 INFO [main.py:798]
{rank 0/64} MD step = 64200 step time: 00:00:00.151953 Performance: 72.452 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:32:27,627 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 150.8 -1729.4 16528 -18258 -18258 -0.00036193 -0.00060956 0.00057146 1.0588e+05 2024-05-07 22:32:43,635 INFO [main.py:798]
{rank 0/64} MD step = 64300 step time: 00:00:00.158113 Performance: 72.466 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:32:49,184 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 148.52 -2033.3 16278 -18311 -18311 -0.00061432 -0.00049527 0.00026668 1.0605e+05 2024-05-07 22:33:06,876 INFO [main.py:798]
{rank 0/64} MD step = 64400 step time: 00:00:00.148675 Performance: 72.469 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:33:20,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64400 12880 148.72 -2084.2 16300 -18384 -18384 -0.00049527 -0.00053336 0.00038097 1.0622e+05 2024-05-07 22:33:35,729 INFO [main.py:798]
{rank 0/64} MD step = 64500 step time: 00:00:00.161197 Performance: 72.445 ns/day 0.331 hours/ns 4.192 steps/s 2024-05-07 22:33:40,921 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 149.61 -1978.5 16397 -18376 -18376 -0.0007429 -0.00063813 0.00041907 1.0636e+05 2024-05-07 22:33:56,613 INFO [main.py:798]
{rank 0/64} MD step = 64600 step time: 00:00:00.161290 Performance: 72.459 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:34:05,097 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 148.71 -2051.8 16299 -18351 -18351 -0.00053336 -0.00041907 0.00073337 1.065e+05 2024-05-07 22:34:20,903 INFO [main.py:798]
{rank 0/64} MD step = 64700 step time: 00:00:00.163039 Performance: 72.457 ns/day 0.331 hours/ns 4.193 steps/s 2024-05-07 22:34:27,677 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 151.11 -1959.3 16561 -18521 -18521 -0.00053336 -0.00058099 0.00068575 1.0665e+05 2024-05-07 22:34:43,369 INFO [main.py:798]
{rank 0/64} MD step = 64800 step time: 00:00:00.164315 Performance: 72.464 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:34:50,421 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 148.74 -1844.9 16302 -18147 -18147 -0.00049527 -0.00076195 0.00091434 1.068e+05 2024-05-07 22:35:05,895 INFO [main.py:798]
{rank 0/64} MD step = 64900 step time: 00:00:00.160662 Performance: 72.470 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:35:14,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64900 12980 148.52 -1932.6 16278 -18211 -18211 -0.00085719 -0.00068575 0.00069528 1.0697e+05 2024-05-07 22:35:30,796 INFO [main.py:798]
{rank 0/64} MD step = 65000 step time: 00:00:00.157602 Performance: 72.465 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:35:37,470 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 150.18 -1819.3 16460 -18279 -18279 -0.0007048 -0.00065718 0.00072385 1.0715e+05 2024-05-07 22:35:53,388 INFO [main.py:798]
{rank 0/64} MD step = 65100 step time: 00:00:00.158763 Performance: 72.471 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:35:59,505 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 150.22 -2038.8 16464 -18503 -18503 -0.00045717 -0.00059051 0.00058099 1.0734e+05 2024-05-07 22:36:14,097 INFO [main.py:798]
{rank 0/64} MD step = 65200 step time: 00:00:00.158508 Performance: 72.485 ns/day 0.331 hours/ns 4.195 steps/s 2024-05-07 22:36:20,078 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 148.94 -2132.4 16324 -18457 -18457 -0.00020001 -0.00089529 0.00030478 1.0749e+05 2024-05-07 22:36:35,543 INFO [main.py:798]
{rank 0/64} MD step = 65300 step time: 00:00:00.159979 Performance: 72.497 ns/day 0.331 hours/ns 4.195 steps/s 2024-05-07 22:36:41,302 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 148.69 -2128.8 16297 -18425 -18425 -0.00051431 -0.00091434 0.00076195 1.0764e+05 2024-05-07 22:36:56,136 INFO [main.py:798]
{rank 0/64} MD step = 65400 step time: 00:00:00.165221 Performance: 72.512 ns/day 0.331 hours/ns 4.196 steps/s 2024-05-07 22:37:03,609 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 148.45 -1987.6 16271 -18258 -18258 -0.00060956 -0.0004905 0.00091434 1.0784e+05 2024-05-07 22:37:19,151 INFO [main.py:798]
{rank 0/64} MD step = 65500 step time: 00:00:00.155945 Performance: 72.515 ns/day 0.331 hours/ns 4.196 steps/s 2024-05-07 22:37:25,837 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 147.32 -2321.2 16146 -18468 -18468 -0.00053336 -0.00060956 0.00040955 1.0798e+05 2024-05-07 22:37:41,382 INFO [main.py:798]
{rank 0/64} MD step = 65600 step time: 00:00:00.150797 Performance: 72.523 ns/day 0.331 hours/ns 4.197 steps/s 2024-05-07 22:37:47,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65600 13120 150.7 -1754.7 16517 -18272 -18272 -0.0007048 -0.00091434 0.00090481 1.0812e+05 2024-05-07 22:38:03,221 INFO [main.py:798]
{rank 0/64} MD step = 65700 step time: 00:00:00.159739 Performance: 72.532 ns/day 0.331 hours/ns 4.197 steps/s 2024-05-07 22:38:09,098 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 150.49 -1964.9 16494 -18459 -18459 -0.00068575 -0.00068575 0.00047622 1.0827e+05 2024-05-07 22:38:25,117 INFO [main.py:798]
{rank 0/64} MD step = 65800 step time: 00:00:00.161727 Performance: 72.541 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:38:30,796 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 150.4 -2298.4 16484 -18782 -18782 -0.00087624 -0.00060956 0.00057146 1.0844e+05 2024-05-07 22:38:46,842 INFO [main.py:798]
{rank 0/64} MD step = 65900 step time: 00:00:00.157359 Performance: 72.551 ns/day 0.331 hours/ns 4.199 steps/s 2024-05-07 22:38:54,892 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 150.7 -1949.7 16516 -18466 -18466 -0.00064766 -0.00072385 0.00091434 1.0861e+05 2024-05-07 22:39:11,028 INFO [main.py:798]
{rank 0/64} MD step = 66000 step time: 00:00:00.157750 Performance: 72.549 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:39:19,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66000 13200 150.86 -1979.9 16535 -18515 -18515 -0.00060956 -0.00064766 0.00045717 1.0877e+05 2024-05-07 22:39:35,428 INFO [main.py:798]
{rank 0/64} MD step = 66100 step time: 00:00:00.151135 Performance: 72.546 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:39:41,922 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 149.88 -1917.7 16428 -18345 -18345 -0.00051431 -0.00091434 0.00088576 1.0893e+05 2024-05-07 22:39:58,023 INFO [main.py:798]
{rank 0/64} MD step = 66200 step time: 00:00:00.150888 Performance: 72.552 ns/day 0.331 hours/ns 4.199 steps/s 2024-05-07 22:40:03,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66200 13240 149.28 -1822.6 16361 -18184 -18184 -0.00017144 -0.00059051 0.0007429 1.0911e+05 2024-05-07 22:40:19,258 INFO [main.py:798]
{rank 0/64} MD step = 66300 step time: 00:00:00.159401 Performance: 72.564 ns/day 0.331 hours/ns 4.199 steps/s 2024-05-07 22:40:26,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66300 13260 150.34 -1688 16477 -18165 -18165 -0.00032383 -0.00061908 0.00064766 1.0928e+05 2024-05-07 22:40:42,921 INFO [main.py:798]
{rank 0/64} MD step = 66400 step time: 00:00:00.160677 Performance: 72.564 ns/day 0.331 hours/ns 4.199 steps/s 2024-05-07 22:40:49,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66400 13280 148.17 -2110.3 16240 -18350 -18350 -0.00087624 -0.00045717 0.00057146 1.0942e+05 2024-05-07 22:41:04,885 INFO [main.py:798]
{rank 0/64} MD step = 66500 step time: 00:00:00.158666 Performance: 72.573 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:41:13,128 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 151.73 -1569 16630 -18199 -18199 -0.00041907 -0.00053336 0.00077147 1.0963e+05 2024-05-07 22:41:27,828 INFO [main.py:798]
{rank 0/64} MD step = 66600 step time: 00:00:00.141127 Performance: 72.577 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:41:35,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66600 13320 149.57 -2194 16393 -18587 -18587 -0.00076195 -0.00080005 0.00081909 1.0982e+05 2024-05-07 22:41:51,106 INFO [main.py:798]
{rank 0/64} MD step = 66700 step time: 00:00:00.151025 Performance: 72.579 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:41:57,466 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 149.36 -1955 16370 -18325 -18325 -0.00087624 -0.00055241 0.00051431 1.0994e+05 2024-05-07 22:42:12,608 INFO [main.py:798]
{rank 0/64} MD step = 66800 step time: 00:00:00.143933 Performance: 72.590 ns/day 0.331 hours/ns 4.201 steps/s 2024-05-07 22:42:23,998 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 150.7 -1723.7 16517 -18240 -18240 -0.00046669 -0.00081909 0.00019049 1.1013e+05 2024-05-07 22:42:40,226 INFO [main.py:798]
{rank 0/64} MD step = 66900 step time: 00:00:00.159990 Performance: 72.573 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:42:46,782 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 146.94 -2374 16105 -18478 -18478 -0.00081909 -0.00030478 0.00064766 1.1028e+05 2024-05-07 22:43:02,877 INFO [main.py:798]
{rank 0/64} MD step = 67000 step time: 00:00:00.167304 Performance: 72.578 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:43:10,375 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 150.43 -1796.8 16487 -18284 -18284 -0.00080005 -0.00072385 0.00049527 1.1045e+05 2024-05-07 22:43:26,563 INFO [main.py:798]
{rank 0/64} MD step = 67100 step time: 00:00:00.157064 Performance: 72.578 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:43:33,961 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 150.08 -1760.8 16449 -18209 -18209 -0.00037145 -0.00068575 0.00053336 1.1059e+05 2024-05-07 22:43:49,884 INFO [main.py:798]
{rank 0/64} MD step = 67200 step time: 00:00:00.158540 Performance: 72.581 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:43:57,633 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 147.35 -2154 16150 -18304 -18304 -0.00097148 -0.00068575 0.00047622 1.1074e+05 2024-05-07 22:44:13,576 INFO [main.py:798]
{rank 0/64} MD step = 67300 step time: 00:00:00.152198 Performance: 72.581 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:44:20,954 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 153.86 -1423.5 16863 -18286 -18286 -0.00047622 -0.00030478 0.00072385 1.1089e+05 2024-05-07 22:44:36,598 INFO [main.py:798]
{rank 0/64} MD step = 67400 step time: 00:00:00.151304 Performance: 72.585 ns/day 0.331 hours/ns 4.201 steps/s 2024-05-07 22:44:43,082 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 151.44 -1485.5 16598 -18084 -18084 -0.00093339 -0.00089529 0.00057146 1.1106e+05 2024-05-07 22:44:58,862 INFO [main.py:798]
{rank 0/64} MD step = 67500 step time: 00:00:00.163785 Performance: 72.592 ns/day 0.331 hours/ns 4.201 steps/s 2024-05-07 22:45:04,301 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 148.24 -2322.7 16247 -18570 -18570 -0.00087624 -0.00034288 0.00077147 1.1121e+05 2024-05-07 22:45:20,872 INFO [main.py:798]
{rank 0/64} MD step = 67600 step time: 00:00:00.148046 Performance: 72.600 ns/day 0.331 hours/ns 4.201 steps/s 2024-05-07 22:45:29,084 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 149.04 -2346.3 16335 -18681 -18681 -0.00093339 -0.00064766 0.00064766 1.1137e+05 2024-05-07 22:45:45,312 INFO [main.py:798]
{rank 0/64} MD step = 67700 step time: 00:00:00.156869 Performance: 72.597 ns/day 0.331 hours/ns 4.201 steps/s 2024-05-07 22:45:52,955 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 150.55 -2169.5 16500 -18670 -18670 -0.00034288 -0.00083814 0.00051431 1.115e+05 2024-05-07 22:46:07,889 INFO [main.py:798]
{rank 0/64} MD step = 67800 step time: 00:00:00.156208 Performance: 72.602 ns/day 0.331 hours/ns 4.202 steps/s 2024-05-07 22:46:15,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67800 13560 152.05 -1614.9 16665 -18280 -18280 -0.00047622 -0.00054289 0.00045717 1.1165e+05 2024-05-07 22:46:31,258 INFO [main.py:798]
{rank 0/64} MD step = 67900 step time: 00:00:00.171354 Performance: 72.604 ns/day 0.331 hours/ns 4.202 steps/s 2024-05-07 22:46:38,726 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 150.24 -1813.9 16467 -18280 -18280 -0.00041907 -0.00060956 0.00045717 1.1184e+05 2024-05-07 22:46:54,774 INFO [main.py:798]
{rank 0/64} MD step = 68000 step time: 00:00:00.159574 Performance: 72.606 ns/day 0.331 hours/ns 4.202 steps/s 2024-05-07 22:47:03,901 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 149.37 -1962.1 16371 -18334 -18334 -0.00030478 -0.00062861 0.00060956 1.1199e+05 2024-05-07 22:47:19,809 INFO [main.py:798]
{rank 0/64} MD step = 68100 step time: 00:00:00.163453 Performance: 72.600 ns/day 0.331 hours/ns 4.201 steps/s 2024-05-07 22:47:25,724 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 148.94 -2035.1 16324 -18359 -18359 -0.00091434 -0.00072385 0.00034288 1.122e+05 2024-05-07 22:47:41,516 INFO [main.py:798]
{rank 0/64} MD step = 68200 step time: 00:00:00.158589 Performance: 72.609 ns/day 0.331 hours/ns 4.202 steps/s 2024-05-07 22:47:49,865 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 149.49 -2165.9 16384 -18550 -18550 -0.00045717 -0.00055241 0.00064766 1.1232e+05 2024-05-07 22:48:05,572 INFO [main.py:798]
{rank 0/64} MD step = 68300 step time: 00:00:00.159265 Performance: 72.608 ns/day 0.331 hours/ns 4.202 steps/s 2024-05-07 22:48:14,509 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 150.32 -1899.7 16476 -18375 -18375 -0.0007429 -0.0003905 0.0007048 1.1245e+05 2024-05-07 22:48:36,912 INFO [main.py:798]
{rank 0/64} MD step = 68400 step time: 00:00:00.159238 Performance: 72.575 ns/day 0.331 hours/ns 4.200 steps/s 2024-05-07 22:48:52,614 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 149.52 -1874.1 16388 -18262 -18262 -0.00089529 -0.0007429 0.0007429 1.1266e+05 2024-05-07 22:49:09,399 INFO [main.py:798]
{rank 0/64} MD step = 68500 step time: 00:00:00.158195 Performance: 72.536 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:49:16,046 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 150.28 -1685.2 16471 -18156 -18156 -0.00062861 -0.00072385 0.00057146 1.1283e+05 2024-05-07 22:49:32,476 INFO [main.py:798]
{rank 0/64} MD step = 68600 step time: 00:00:00.157962 Performance: 72.539 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:49:40,732 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 149.66 -2002.9 16403 -18405 -18405 -0.00075719 -0.00045717 0.00037145 1.1296e+05 2024-05-07 22:49:57,028 INFO [main.py:798]
{rank 0/64} MD step = 68700 step time: 00:00:00.153951 Performance: 72.536 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:50:05,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68700 13740 151.65 -1668.9 16621 -18290 -18290 -0.0007048 -0.0004286 0.00034288 1.1317e+05 2024-05-07 22:50:21,421 INFO [main.py:798]
{rank 0/64} MD step = 68800 step time: 00:00:00.159786 Performance: 72.534 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:50:29,621 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 150.53 -1828.2 16498 -18326 -18326 -0.00059051 -0.00052384 0.00060956 1.1334e+05 2024-05-07 22:50:45,130 INFO [main.py:798]
{rank 0/64} MD step = 68900 step time: 00:00:00.160782 Performance: 72.534 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:50:51,811 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 146.65 -2455.7 16073 -18529 -18529 -0.00022858 -0.00055241 0.00064766 1.1351e+05 2024-05-07 22:51:08,058 INFO [main.py:798]
{rank 0/64} MD step = 69000 step time: 00:00:00.158191 Performance: 72.538 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:51:16,509 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 150.23 -2109.8 16466 -18576 -18576 -0.00057146 -0.00075242 0.00072385 1.1369e+05 2024-05-07 22:51:32,408 INFO [main.py:798]
{rank 0/64} MD step = 69100 step time: 00:00:00.157816 Performance: 72.536 ns/day 0.331 hours/ns 4.198 steps/s 2024-05-07 22:51:49,194 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 149.58 -2143.6 16394 -18538 -18538 -0.00060956 -0.00068575 0.00091434 1.1387e+05 2024-05-07 22:52:09,672 INFO [main.py:798]
{rank 0/64} MD step = 69200 step time: 00:00:00.151123 Performance: 72.477 ns/day 0.331 hours/ns 4.194 steps/s 2024-05-07 22:52:31,912 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 150.84 -1800.8 16533 -18333 -18333 -0.00045717 -0.00087624 0.00026668 1.1406e+05 2024-05-07 22:52:47,461 INFO [main.py:798]
{rank 0/64} MD step = 69300 step time: 00:00:00.152057 Performance: 72.415 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 22:52:51,944 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 150.51 -1903.9 16496 -18400 -18400 -0.00087624 -0.00053336 0.00079052 1.1425e+05 2024-05-07 22:53:10,768 INFO [main.py:798]
{rank 0/64} MD step = 69400 step time: 00:00:00.165629 Performance: 72.418 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 22:53:18,257 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 150.27 -1958.3 16469 -18428 -18428 -0.00057146 -0.00081909 0.00030478 1.1443e+05 2024-05-07 22:53:34,613 INFO [main.py:798]
{rank 0/64} MD step = 69500 step time: 00:00:00.151187 Performance: 72.418 ns/day 0.331 hours/ns 4.191 steps/s 2024-05-07 22:53:46,769 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 150.43 -1997.6 16487 -18485 -18485 -0.00061908 -0.00069528 0.00091434 1.1456e+05 2024-05-07 22:54:02,949 INFO [main.py:798]
{rank 0/64} MD step = 69600 step time: 00:00:00.151718 Performance: 72.398 ns/day 0.331 hours/ns 4.190 steps/s 2024-05-07 22:54:15,816 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 150.61 -1813.3 16507 -18321 -18321 -0.00034764 -0.00055241 0.00080005 1.1472e+05 2024-05-07 22:54:31,347 INFO [main.py:798]
{rank 0/64} MD step = 69700 step time: 00:00:00.145393 Performance: 72.379 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:54:36,814 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 147.77 -2181.6 16196 -18378 -18378 -0.00072385 -0.00053336 0.00060003 1.1489e+05 2024-05-07 22:54:51,222 INFO [main.py:798]
{rank 0/64} MD step = 69800 step time: 00:00:00.152262 Performance: 72.396 ns/day 0.332 hours/ns 4.190 steps/s 2024-05-07 22:54:59,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69800 13960 146.71 -2220.2 16080 -18300 -18300 -0.00068575 -0.00069528 0.00053336 1.1506e+05 2024-05-07 22:55:16,920 INFO [main.py:798]
{rank 0/64} MD step = 69900 step time: 00:00:00.142347 Performance: 72.388 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:55:23,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69900 13980 149.64 -1977.1 16400 -18377 -18377 -0.00091434 -0.00054289 0.00024763 1.152e+05 2024-05-07 22:55:38,148 INFO [main.py:798]
{rank 0/64} MD step = 70000 step time: 00:00:00.157291 Performance: 72.400 ns/day 0.331 hours/ns 4.190 steps/s 2024-05-07 22:55:49,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70000 14000 149.71 -1869 16408 -18277 -18277 -0.00059051 -0.00034288 0.00046669 1.1536e+05 2024-05-07 22:56:05,747 INFO [main.py:798]
{rank 0/64} MD step = 70100 step time: 00:00:00.155910 Performance: 72.384 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:56:14,039 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 149.77 -2006.1 16415 -18421 -18421 -0.00060956 -0.00040002 0.00074766 1.1551e+05 2024-05-07 22:56:29,262 INFO [main.py:798]
{rank 0/64} MD step = 70200 step time: 00:00:00.162814 Performance: 72.385 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:56:39,436 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 151.42 -1527.3 16596 -18124 -18124 -0.00030478 -0.00060956 0.00068575 1.1566e+05 2024-05-07 22:56:54,932 INFO [main.py:798]
{rank 0/64} MD step = 70300 step time: 00:00:00.169063 Performance: 72.377 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:57:02,562 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 152.76 -1502.3 16742 -18245 -18245 -0.00048574 -0.00045717 0.00080005 1.1581e+05 2024-05-07 22:57:17,871 INFO [main.py:798]
{rank 0/64} MD step = 70400 step time: 00:00:00.158476 Performance: 72.381 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:57:26,315 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 149.55 -1808.3 16391 -18199 -18199 -0.00064766 -0.00099053 0.00099053 1.16e+05 2024-05-07 22:57:41,869 INFO [main.py:798]
{rank 0/64} MD step = 70500 step time: 00:00:00.167241 Performance: 72.381 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:57:51,008 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 152.66 -1543.8 16732 -18276 -18276 -0.00080005 -0.00079052 0.00049527 1.1616e+05 2024-05-07 22:58:06,561 INFO [main.py:798]
{rank 0/64} MD step = 70600 step time: 00:00:00.156920 Performance: 72.377 ns/day 0.332 hours/ns 4.189 steps/s 2024-05-07 22:58:16,185 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 149.71 -1826.7 16408 -18235 -18235 -0.00045717 -0.00076195 0.00036193 1.1632e+05 2024-05-07 22:58:31,765 INFO [main.py:798]
{rank 0/64} MD step = 70700 step time: 00:00:00.161832 Performance: 72.372 ns/day 0.332 hours/ns 4.188 steps/s 2024-05-07 22:58:43,843 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 150.8 -1782.5 16528 -18310 -18310 -0.00054765 -0.00087624 0.00083814 1.1648e+05 2024-05-07 22:58:59,127 INFO [main.py:798]
{rank 0/64} MD step = 70800 step time: 00:00:00.154856 Performance: 72.357 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 22:59:09,880 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 150.31 -1998.2 16474 -18472 -18472 -0.00076195 -0.00062861 0.00060956 1.1665e+05 2024-05-07 22:59:26,480 INFO [main.py:798]
{rank 0/64} MD step = 70900 step time: 00:00:00.167293 Performance: 72.342 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 22:59:37,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70900 14180 151.76 -1803.1 16633 -18437 -18437 -0.00085719 -0.00038097 0.00060956 1.1681e+05 2024-05-07 22:59:52,887 INFO [main.py:798]
{rank 0/64} MD step = 71000 step time: 00:00:00.165901 Performance: 72.331 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 23:00:00,775 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 148.38 -2091.7 16263 -18355 -18355 -0.00081909 -0.00047622 0.00076195 1.1704e+05 2024-05-07 23:00:16,826 INFO [main.py:798]
{rank 0/64} MD step = 71100 step time: 00:00:00.162788 Performance: 72.331 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 23:00:23,129 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 147.66 -2005.4 16183 -18189 -18189 -0.000781 -0.00080005 0.00053336 1.1717e+05 2024-05-07 23:00:42,775 INFO [main.py:798]
{rank 0/64} MD step = 71200 step time: 00:00:00.156865 Performance: 72.322 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:00:52,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71200 14240 149.44 -2049.3 16379 -18428 -18428 -0.0007048 -0.00062861 0.00085719 1.1734e+05 2024-05-07 23:01:08,662 INFO [main.py:798]
{rank 0/64} MD step = 71300 step time: 00:00:00.148024 Performance: 72.314 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:01:18,013 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 149.44 -2039.4 16379 -18418 -18418 -0.00097148 -0.00055241 0.00086672 1.1753e+05 2024-05-07 23:01:33,736 INFO [main.py:798]
{rank 0/64} MD step = 71400 step time: 00:00:00.153363 Performance: 72.309 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:01:42,130 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 150.67 -1903.1 16514 -18417 -18417 -6.667e-05 -0.00068575 0.00053336 1.177e+05 2024-05-07 23:01:58,750 INFO [main.py:798]
{rank 0/64} MD step = 71500 step time: 00:00:00.158833 Performance: 72.304 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:02:07,882 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 150.6 -1904.1 16506 -18410 -18410 -0.00047622 -0.00068575 0.00047622 1.1788e+05 2024-05-07 23:02:23,358 INFO [main.py:798]
{rank 0/64} MD step = 71600 step time: 00:00:00.154848 Performance: 72.301 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:02:30,314 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 149.49 -2098.8 16385 -18483 -18483 -0.00038097 -0.00051431 0.00050479 1.1804e+05 2024-05-07 23:02:49,258 INFO [main.py:798]
{rank 0/64} MD step = 71700 step time: 00:00:00.155638 Performance: 72.293 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:02:59,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71700 14340 150.79 -1900 16527 -18427 -18427 -0.00053336 -0.00053336 0.00080005 1.1819e+05 2024-05-07 23:03:15,876 INFO [main.py:798]
{rank 0/64} MD step = 71800 step time: 00:00:00.159650 Performance: 72.281 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:03:22,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71800 14360 150.45 -1882.9 16490 -18373 -18373 -0.00053336 -0.00053336 0.00072385 1.1836e+05 2024-05-07 23:03:41,427 INFO [main.py:798]
{rank 0/64} MD step = 71900 step time: 00:00:00.151236 Performance: 72.274 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:03:50,207 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 149.19 -1949.7 16352 -18302 -18302 -0.00081909 -0.00057146 0.00060956 1.1849e+05 2024-05-07 23:04:05,992 INFO [main.py:798]
{rank 0/64} MD step = 72000 step time: 00:00:00.151426 Performance: 72.271 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:04:14,370 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 152.28 -1852.3 16690 -18542 -18542 -0.00087624 -0.00083338 0.00087624 1.1862e+05 2024-05-07 23:04:29,906 INFO [main.py:798]
{rank 0/64} MD step = 72100 step time: 00:00:00.157544 Performance: 72.271 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:04:34,662 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 151.85 -1783.2 16643 -18427 -18427 -0.00034288 -0.00034288 0.00080005 1.1881e+05 2024-05-07 23:04:52,560 INFO [main.py:798]
{rank 0/64} MD step = 72200 step time: 00:00:00.159103 Performance: 72.277 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:04:59,335 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 151.5 -1691.9 16604 -18296 -18296 -0.00091434 -0.00072385 0.00068575 1.1897e+05 2024-05-07 23:05:14,916 INFO [main.py:798]
{rank 0/64} MD step = 72300 step time: 00:00:00.161010 Performance: 72.283 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:05:21,348 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 151.77 -1853.7 16634 -18487 -18487 -0.00045717 -0.00041907 0.00083814 1.1911e+05 2024-05-07 23:05:37,054 INFO [main.py:798]
{rank 0/64} MD step = 72400 step time: 00:00:00.163703 Performance: 72.291 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:05:43,141 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 148.66 -2007.9 16293 -18301 -18301 -0.00079052 -0.00068575 0.0003905 1.1933e+05 2024-05-07 23:05:59,787 INFO [main.py:798]
{rank 0/64} MD step = 72500 step time: 00:00:00.169221 Performance: 72.295 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:06:05,706 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 149.24 -2018.4 16357 -18376 -18376 -0.00076195 -0.00038097 0.00049527 1.1949e+05 2024-05-07 23:06:20,443 INFO [main.py:798]
{rank 0/64} MD step = 72600 step time: 00:00:00.144119 Performance: 72.309 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:06:38,841 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 149.11 -1911.8 16342 -18254 -18254 -0.00041907 -0.00038097 0.00049527 1.1967e+05 2024-05-07 23:06:54,954 INFO [main.py:798]
{rank 0/64} MD step = 72700 step time: 00:00:00.161667 Performance: 72.265 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:07:01,670 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 149.83 -1905.2 16421 -18326 -18326 -0.00097148 -0.00053336 0.00072385 1.1983e+05 2024-05-07 23:07:16,993 INFO [main.py:798]
{rank 0/64} MD step = 72800 step time: 00:00:00.152545 Performance: 72.273 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:07:23,923 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 151.28 -1865.3 16580 -18445 -18445 -0.00038097 -0.00081909 0.00022858 1.1993e+05 2024-05-07 23:07:39,941 INFO [main.py:798]
{rank 0/64} MD step = 72900 step time: 00:00:00.159642 Performance: 72.277 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:07:47,319 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 149.2 -2174.4 16353 -18527 -18527 -0.00037145 -0.00083814 0.00068575 1.2009e+05 2024-05-07 23:08:06,643 INFO [main.py:798]
{rank 0/64} MD step = 73000 step time: 00:00:00.149290 Performance: 72.265 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:08:13,728 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 150.94 -2045.1 16543 -18588 -18588 -0.00044764 -0.00080005 0.00065718 1.2029e+05 2024-05-07 23:08:28,952 INFO [main.py:798]
{rank 0/64} MD step = 73100 step time: 00:00:00.143977 Performance: 72.272 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:08:36,024 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 148.46 -2104.3 16271 -18376 -18376 -0.00038097 -0.00076195 0.00038097 1.2046e+05 2024-05-07 23:08:52,872 INFO [main.py:798]
{rank 0/64} MD step = 73200 step time: 00:00:00.151981 Performance: 72.272 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:09:02,888 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 149.01 -2048.5 16332 -18380 -18380 -0.00059051 -0.00068575 0.00049527 1.2058e+05 2024-05-07 23:09:19,642 INFO [main.py:798]
{rank 0/64} MD step = 73300 step time: 00:00:00.158964 Performance: 72.260 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:09:26,741 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 149.01 -1898.5 16332 -18230 -18230 -0.00053336 -0.00041907 0.00064766 1.2078e+05 2024-05-07 23:09:43,503 INFO [main.py:798]
{rank 0/64} MD step = 73400 step time: 00:00:00.158796 Performance: 72.260 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:09:57,139 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 150.22 -1963.7 16465 -18428 -18428 -0.00049527 -0.0006667 0.00045717 1.2091e+05 2024-05-07 23:10:12,790 INFO [main.py:798]
{rank 0/64} MD step = 73500 step time: 00:00:00.172223 Performance: 72.238 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:10:35,036 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 150.94 -1815.5 16543 -18358 -18358 -0.00056194 -0.00045717 0.00060003 1.2111e+05 2024-05-07 23:10:53,241 INFO [main.py:798]
{rank 0/64} MD step = 73600 step time: 00:00:00.167330 Performance: 72.170 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 23:11:00,425 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 149.59 -1912.2 16395 -18307 -18307 -0.00064766 -0.00076195 0.00071433 1.2126e+05 2024-05-07 23:11:14,695 INFO [main.py:798]
{rank 0/64} MD step = 73700 step time: 00:00:00.141655 Performance: 72.180 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 23:11:21,719 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 150.22 -1901.2 16464 -18366 -18366 -0.00057146 -0.00048574 0.00045717 1.2144e+05 2024-05-07 23:11:37,136 INFO [main.py:798]
{rank 0/64} MD step = 73800 step time: 00:00:00.147767 Performance: 72.186 ns/day 0.332 hours/ns 4.177 steps/s 2024-05-07 23:11:43,458 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 149.85 -2202.4 16424 -18626 -18626 -0.00064766 -0.00064766 0.00049527 1.216e+05 2024-05-07 23:11:59,696 INFO [main.py:798]
{rank 0/64} MD step = 73900 step time: 00:00:00.152856 Performance: 72.192 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:12:06,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73900 14780 150.57 -1971 16502 -18473 -18473 -0.00037145 -0.00049527 0.00045717 1.2172e+05 2024-05-07 23:12:21,632 INFO [main.py:798]
{rank 0/64} MD step = 74000 step time: 00:00:00.157509 Performance: 72.200 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:12:35,564 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 150.07 -2085.3 16447 -18533 -18533 -0.00049527 -0.00050479 0.00057146 1.219e+05 2024-05-07 23:12:51,640 INFO [main.py:798]
{rank 0/64} MD step = 74100 step time: 00:00:00.155335 Performance: 72.176 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 23:12:58,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74100 14820 150.07 -2083.6 16448 -18532 -18532 -0.00038097 -0.00049527 0.00062861 1.2207e+05 2024-05-07 23:13:14,138 INFO [main.py:798]
{rank 0/64} MD step = 74200 step time: 00:00:00.151801 Performance: 72.181 ns/day 0.332 hours/ns 4.177 steps/s 2024-05-07 23:13:35,074 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 151.22 -1982.1 16574 -18556 -18556 -0.00049527 -0.00086672 0.00087624 1.2225e+05 2024-05-07 23:13:49,546 INFO [main.py:798]
{rank 0/64} MD step = 74300 step time: 00:00:00.146606 Performance: 72.135 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 23:13:57,976 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 149.39 -2301.4 16373 -18674 -18674 -0.00034288 -0.00032383 0.00064766 1.2241e+05 2024-05-07 23:14:12,040 INFO [main.py:798]
{rank 0/64} MD step = 74400 step time: 00:00:00.147059 Performance: 72.141 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 23:14:23,289 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 148.88 -2205.6 16317 -18523 -18523 -0.000781 -0.00064766 0.00085719 1.2265e+05 2024-05-07 23:14:38,878 INFO [main.py:798]
{rank 0/64} MD step = 74500 step time: 00:00:00.153906 Performance: 72.129 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 23:14:45,631 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 148.61 -2061.2 16288 -18349 -18349 -0.00060956 -0.00041907 0.00049527 1.228e+05 2024-05-07 23:15:00,811 INFO [main.py:798]
{rank 0/64} MD step = 74600 step time: 00:00:00.141388 Performance: 72.137 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 23:15:08,036 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 150.78 -1816.5 16526 -18342 -18342 -0.00060956 -0.00045717 0.00080005 1.2298e+05 2024-05-07 23:15:22,961 INFO [main.py:798]
{rank 0/64} MD step = 74700 step time: 00:00:00.144493 Performance: 72.145 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 23:15:30,773 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 150.93 -1590.3 16543 -18133 -18133 -0.00056194 -0.00058099 0.00038097 1.2318e+05 2024-05-07 23:15:46,923 INFO [main.py:798]
{rank 0/64} MD step = 74800 step time: 00:00:00.155121 Performance: 72.145 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 23:15:55,480 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 149.6 -2024.6 16396 -18421 -18421 -0.00053813 -0.000781 0.000781 1.2333e+05 2024-05-07 23:16:10,290 INFO [main.py:798]
{rank 0/64} MD step = 74900 step time: 00:00:00.150639 Performance: 72.147 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 23:16:18,960 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 149.15 -2015.3 16347 -18362 -18362 -0.00040002 -0.00060956 0.00080005 1.2347e+05 2024-05-07 23:16:38,495 INFO [main.py:798]
{rank 0/64} MD step = 75000 step time: 00:00:00.145451 Performance: 72.130 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-07 23:16:44,348 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 150.97 -1836.1 16546 -18382 -18382 -0.00099053 -0.00068575 0.00064766 1.2359e+05 2024-05-07 23:16:59,730 INFO [main.py:798]
{rank 0/64} MD step = 75100 step time: 00:00:00.160160 Performance: 72.141 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 23:17:03,712 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 150.85 -1733.5 16534 -18267 -18267 -0.00033335 -0.00083814 0.00030478 1.2378e+05 2024-05-07 23:17:20,656 INFO [main.py:798]
{rank 0/64} MD step = 75200 step time: 00:00:00.158499 Performance: 72.153 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 23:17:29,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75200 15040 148.44 -2054.4 16269 -18323 -18323 -0.00080481 -0.00057146 0.00060956 1.2395e+05 2024-05-07 23:17:45,009 INFO [main.py:798]
{rank 0/64} MD step = 75300 step time: 00:00:00.146844 Performance: 72.151 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 23:17:54,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75300 15060 151.35 -1767.5 16588 -18356 -18356 -0.00090481 -0.00068575 0.00085719 1.2411e+05 2024-05-07 23:18:10,863 INFO [main.py:798]
{rank 0/64} MD step = 75400 step time: 00:00:00.158037 Performance: 72.144 ns/day 0.333 hours/ns 4.175 steps/s 2024-05-07 23:18:15,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75400 15080 149.6 -1944.4 16396 -18340 -18340 -0.00072385 -0.0006667 0.00083814 1.2425e+05 2024-05-07 23:18:32,425 INFO [main.py:798]
{rank 0/64} MD step = 75500 step time: 00:00:00.392638 Performance: 72.153 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 23:18:38,225 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 152.45 -1482.4 16708 -18191 -18191 -0.00068575 -0.00053336 0.00083814 1.2439e+05 2024-05-07 23:18:54,368 INFO [main.py:798]
{rank 0/64} MD step = 75600 step time: 00:00:00.155481 Performance: 72.161 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 23:19:02,126 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 148.9 -2013.9 16320 -18334 -18334 -0.00080005 -0.00068575 0.0007429 1.245e+05 2024-05-07 23:19:18,332 INFO [main.py:798]
{rank 0/64} MD step = 75700 step time: 00:00:00.157839 Performance: 72.161 ns/day 0.333 hours/ns 4.176 steps/s 2024-05-07 23:19:24,143 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 147.53 -2152.6 16169 -18322 -18322 -0.00091434 -0.00057146 0.00083814 1.2471e+05 2024-05-07 23:19:39,722 INFO [main.py:798]
{rank 0/64} MD step = 75800 step time: 00:00:00.147574 Performance: 72.171 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 23:19:46,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75800 15160 148.3 -2030 16254 -18284 -18284 -0.00091434 -0.00053336 0.00082862 1.2486e+05 2024-05-07 23:20:02,286 INFO [main.py:798]
{rank 0/64} MD step = 75900 step time: 00:00:00.150131 Performance: 72.177 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 23:20:11,318 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 148 -2104.1 16221 -18325 -18325 -0.00072385 -0.00076195 0.00065718 1.2505e+05 2024-05-07 23:20:27,631 INFO [main.py:798]
{rank 0/64} MD step = 76000 step time: 00:00:00.152774 Performance: 72.171 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 23:20:33,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76000 15200 151.82 -1735.6 16640 -18375 -18375 -0.00053336 -0.00064766 0.00049527 1.252e+05 2024-05-07 23:20:49,180 INFO [main.py:798]
{rank 0/64} MD step = 76100 step time: 00:00:00.160613 Performance: 72.181 ns/day 0.332 hours/ns 4.177 steps/s 2024-05-07 23:20:59,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76100 15220 149.82 -2134.1 16421 -18555 -18555 -0.00076195 -0.00082862 0.00045717 1.2534e+05 2024-05-07 23:21:15,046 INFO [main.py:798]
{rank 0/64} MD step = 76200 step time: 00:00:00.159618 Performance: 72.173 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 23:21:22,943 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 149.94 -1954.8 16433 -18388 -18388 -0.00087624 -0.00038097 0.00019049 1.2553e+05 2024-05-07 23:21:38,525 INFO [main.py:798]
{rank 0/64} MD step = 76300 step time: 00:00:00.155732 Performance: 72.175 ns/day 0.333 hours/ns 4.177 steps/s 2024-05-07 23:21:45,267 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 150.04 -1941.9 16444 -18386 -18386 -0.00047622 -0.00083814 0.00068575 1.2571e+05 2024-05-07 23:22:01,010 INFO [main.py:798]
{rank 0/64} MD step = 76400 step time: 00:00:00.161408 Performance: 72.181 ns/day 0.332 hours/ns 4.177 steps/s 2024-05-07 23:22:06,867 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 148.05 -2325.2 16226 -18551 -18551 -0.00064766 -0.00041907 0.00041907 1.2581e+05 2024-05-07 23:22:22,626 INFO [main.py:798]
{rank 0/64} MD step = 76500 step time: 00:00:00.156679 Performance: 72.190 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:22:28,213 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 151.56 -1883.4 16611 -18495 -18495 -0.00045717 -0.00055241 0.00085719 1.2595e+05 2024-05-07 23:22:43,936 INFO [main.py:798]
{rank 0/64} MD step = 76600 step time: 00:00:00.161026 Performance: 72.200 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:22:49,881 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 151.11 -1889.2 16562 -18451 -18451 -0.00091434 -0.00064766 0.00064766 1.2607e+05 2024-05-07 23:23:05,874 INFO [main.py:798]
{rank 0/64} MD step = 76700 step time: 00:00:00.160005 Performance: 72.208 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:23:19,881 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 152.54 -1916.5 16719 -18636 -18636 -0.00080005 -0.00048574 0.00057146 1.2621e+05 2024-05-07 23:23:34,350 INFO [main.py:798]
{rank 0/64} MD step = 76800 step time: 00:00:00.158699 Performance: 72.190 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:23:42,431 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 147.3 -2551 16144 -18695 -18695 -0.00034288 -0.0007429 0.00040002 1.2641e+05 2024-05-07 23:23:57,657 INFO [main.py:798]
{rank 0/64} MD step = 76900 step time: 00:00:00.156702 Performance: 72.193 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:24:05,416 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 151.41 -1833.5 16595 -18428 -18428 -0.00080005 -0.00053336 0.00076195 1.2654e+05 2024-05-07 23:24:20,804 INFO [main.py:798]
{rank 0/64} MD step = 77000 step time: 00:00:00.152282 Performance: 72.196 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:24:29,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77000 15400 149.94 -2007.7 16434 -18441 -18441 -0.0007048 -0.00059051 0.00060956 1.2667e+05 2024-05-07 23:24:43,443 INFO [main.py:798]
{rank 0/64} MD step = 77100 step time: 00:00:00.145849 Performance: 72.201 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:24:52,190 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 152.27 -1540.5 16689 -18229 -18229 -0.00081909 -0.00058099 0.00087624 1.2687e+05 2024-05-07 23:25:06,093 INFO [main.py:798]
{rank 0/64} MD step = 77200 step time: 00:00:00.135231 Performance: 72.206 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:25:10,075 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 148.57 -1998.3 16283 -18282 -18282 -0.00059051 -0.00026668 0.00096196 1.27e+05 2024-05-07 23:25:27,460 INFO [main.py:798]
{rank 0/64} MD step = 77300 step time: 00:00:00.152134 Performance: 72.216 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:25:33,643 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 150.12 -1825.2 16453 -18278 -18278 -0.00049527 -0.00062861 0.00049527 1.272e+05 2024-05-07 23:25:49,560 INFO [main.py:798]
{rank 0/64} MD step = 77400 step time: 00:00:00.156257 Performance: 72.223 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:25:54,232 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 151.6 -1869.2 16616 -18485 -18485 -0.00060956 -0.00051431 3.8097e-05 1.274e+05 2024-05-07 23:26:11,941 INFO [main.py:798]
{rank 0/64} MD step = 77500 step time: 00:00:00.152849 Performance: 72.229 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:26:17,514 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 151.55 -1845.3 16610 -18455 -18455 -0.00050003 -0.00064766 0.00080005 1.2751e+05 2024-05-07 23:26:33,649 INFO [main.py:798]
{rank 0/64} MD step = 77600 step time: 00:00:00.141248 Performance: 72.238 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:26:38,552 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 151.48 -1719.5 16602 -18322 -18322 -0.00091434 -0.00038097 0.00057146 1.2768e+05 2024-05-07 23:26:56,260 INFO [main.py:798]
{rank 0/64} MD step = 77700 step time: 00:00:00.179173 Performance: 72.243 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:27:01,781 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 149.42 -1953.9 16377 -18330 -18330 -0.00040002 -0.00079052 0.00060956 1.2783e+05 2024-05-07 23:27:17,007 INFO [main.py:798]
{rank 0/64} MD step = 77800 step time: 00:00:00.170616 Performance: 72.255 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:27:21,236 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 151.12 -1985.1 16563 -18548 -18548 -0.00055241 -0.00053336 0.00053336 1.2797e+05 2024-05-07 23:27:38,264 INFO [main.py:798]
{rank 0/64} MD step = 77900 step time: 00:00:00.164854 Performance: 72.265 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:27:43,458 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 149.39 -2222.8 16373 -18596 -18596 -0.00068575 -0.00068575 0.00020954 1.2811e+05 2024-05-07 23:27:59,309 INFO [main.py:798]
{rank 0/64} MD step = 78000 step time: 00:00:00.153384 Performance: 72.276 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:28:03,523 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 149.38 -2207.1 16372 -18579 -18579 -0.00083814 -0.00029525 0.00060956 1.283e+05 2024-05-07 23:28:21,192 INFO [main.py:798]
{rank 0/64} MD step = 78100 step time: 00:00:00.157395 Performance: 72.284 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:28:26,000 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 150.44 -1911.8 16488 -18400 -18400 -0.00046669 -0.00053336 0.00045717 1.2845e+05 2024-05-07 23:28:41,188 INFO [main.py:798]
{rank 0/64} MD step = 78200 step time: 00:00:00.152916 Performance: 72.299 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:28:46,814 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 149.73 -1918.7 16411 -18329 -18329 -0.00081909 -0.00057146 0.00083814 1.2859e+05 2024-05-07 23:29:02,288 INFO [main.py:798]
{rank 0/64} MD step = 78300 step time: 00:00:00.153663 Performance: 72.310 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:29:12,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78300 15660 149.77 -1818.8 16414 -18233 -18233 -0.00045717 -0.00099053 0.00034288 1.2878e+05 2024-05-07 23:29:27,313 INFO [main.py:798]
{rank 0/64} MD step = 78400 step time: 00:00:00.148345 Performance: 72.306 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:29:34,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78400 15680 151.46 -1634.1 16601 -18235 -18235 -0.00060956 -0.00015239 0.00051431 1.2893e+05 2024-05-07 23:29:48,816 INFO [main.py:798]
{rank 0/64} MD step = 78500 step time: 00:00:00.140378 Performance: 72.315 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:29:57,070 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 151.8 -1838.5 16638 -18476 -18476 -0.0010286 -0.00041907 0.00043812 1.2907e+05 2024-05-07 23:30:12,637 INFO [main.py:798]
{rank 0/64} MD step = 78600 step time: 00:00:00.151139 Performance: 72.315 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:30:16,783 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 149.88 -2119.9 16427 -18546 -18546 -0.00083814 -0.00060956 0.00060956 1.293e+05 2024-05-07 23:30:34,369 INFO [main.py:798]
{rank 0/64} MD step = 78700 step time: 00:00:00.153134 Performance: 72.324 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:30:39,949 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 149.9 -2292.6 16429 -18722 -18722 -0.00053336 -0.00030478 0.0006667 1.2943e+05 2024-05-07 23:30:55,979 INFO [main.py:798]
{rank 0/64} MD step = 78800 step time: 00:00:00.155085 Performance: 72.332 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 23:31:01,406 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 150.4 -1708.6 16484 -18193 -18193 -0.00060956 -0.00053336 0.00091434 1.2962e+05 2024-05-07 23:31:17,534 INFO [main.py:798]
{rank 0/64} MD step = 78900 step time: 00:00:00.156533 Performance: 72.341 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 23:31:26,523 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 148.15 -2019.7 16238 -18257 -18257 -0.00059051 -0.00060956 0.00068575 1.2975e+05 2024-05-07 23:31:42,350 INFO [main.py:798]
{rank 0/64} MD step = 79000 step time: 00:00:00.153769 Performance: 72.338 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 23:32:24,219 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 151.28 -1672.9 16580 -18253 -18253 -0.00064766 -0.0003143 0.00067623 1.2989e+05 2024-05-07 23:32:39,290 INFO [main.py:798]
{rank 0/64} MD step = 79100 step time: 00:00:00.150650 Performance: 72.211 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:32:49,943 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 149.33 -1839.1 16366 -18205 -18205 -0.00051431 -0.00015239 0.00056194 1.3004e+05 2024-05-07 23:33:05,421 INFO [main.py:798]
{rank 0/64} MD step = 79200 step time: 00:00:00.145110 Performance: 72.203 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-07 23:33:11,501 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 151.01 -1780.1 16551 -18331 -18331 -0.00085719 -0.0010096 0.00019049 1.3023e+05 2024-05-07 23:33:26,130 INFO [main.py:798]
{rank 0/64} MD step = 79300 step time: 00:00:00.152475 Performance: 72.215 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:33:33,377 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 147.43 -2173.9 16158 -18332 -18332 -0.00037145 -0.00041907 0.00041907 1.304e+05 2024-05-07 23:33:48,550 INFO [main.py:798]
{rank 0/64} MD step = 79400 step time: 00:00:00.135483 Performance: 72.221 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:33:54,806 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 150.07 -2001.6 16448 -18450 -18450 -0.00030478 -0.00087624 0.00083814 1.3059e+05 2024-05-07 23:34:10,142 INFO [main.py:798]
{rank 0/64} MD step = 79500 step time: 00:00:00.149696 Performance: 72.230 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:34:16,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79500 15900 150.59 -1875.6 16505 -18380 -18380 -0.00087624 -0.00049527 0.00053336 1.3078e+05 2024-05-07 23:34:31,345 INFO [main.py:798]
{rank 0/64} MD step = 79600 step time: 00:00:00.152335 Performance: 72.240 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:34:37,894 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 149.7 -1730.7 16408 -18138 -18138 -0.0007048 -0.00076195 0.00069528 1.3097e+05 2024-05-07 23:34:53,578 INFO [main.py:798]
{rank 0/64} MD step = 79700 step time: 00:00:00.155251 Performance: 72.247 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:34:59,943 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 150.24 -1883.1 16467 -18350 -18350 -0.00093339 -0.00046669 0 1.3111e+05 2024-05-07 23:35:15,559 INFO [main.py:798]
{rank 0/64} MD step = 79800 step time: 00:00:00.154245 Performance: 72.254 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:35:22,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79800 15960 151.68 -1868.3 16624 -18492 -18492 0.00022858 -0.00062861 0.00085719 1.3123e+05 2024-05-07 23:35:37,846 INFO [main.py:798]
{rank 0/64} MD step = 79900 step time: 00:00:00.160141 Performance: 72.260 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:35:42,301 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 149.36 -1995.3 16370 -18365 -18365 -0.00038097 -0.00053336 0.00083814 1.3137e+05 2024-05-07 23:35:59,788 INFO [main.py:798]
{rank 0/64} MD step = 80000 step time: 00:00:00.157941 Performance: 72.268 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:36:07,954 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 148.87 -2093.2 16317 -18410 -18410 -0.0003524 -0.00053336 0.00068575 1.3156e+05 2024-05-07 23:36:23,705 INFO [main.py:798]
{rank 0/64} MD step = 80100 step time: 00:00:00.169069 Performance: 72.268 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:36:35,698 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 150.02 -2115.5 16442 -18558 -18558 -0.00062861 -0.00068575 0.0010286 1.3171e+05 2024-05-07 23:36:51,094 INFO [main.py:798]
{rank 0/64} MD step = 80200 step time: 00:00:00.172419 Performance: 72.255 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:36:58,192 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 150.81 -2008.3 16529 -18537 -18537 -0.00059051 -0.00062861 0.00081909 1.3186e+05 2024-05-07 23:37:13,572 INFO [main.py:798]
{rank 0/64} MD step = 80300 step time: 00:00:00.166597 Performance: 72.260 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:37:22,948 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 151.43 -2003.7 16597 -18600 -18600 -0.00064766 -0.00076195 0.00034288 1.3208e+05 2024-05-07 23:37:37,689 INFO [main.py:798]
{rank 0/64} MD step = 80400 step time: 00:00:00.163481 Performance: 72.259 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:37:48,514 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 151.5 -1703.2 16604 -18307 -18307 -0.00083814 -0.00064766 0.00096196 1.3221e+05 2024-05-07 23:38:03,373 INFO [main.py:798]
{rank 0/64} MD step = 80500 step time: 00:00:00.153556 Performance: 72.252 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:38:09,207 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 147.4 -2149.7 16156 -18305 -18305 -0.0007048 -0.00090481 0.00046669 1.3233e+05 2024-05-07 23:38:24,547 INFO [main.py:798]
{rank 0/64} MD step = 80600 step time: 00:00:00.140751 Performance: 72.263 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:38:41,147 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 151.01 -1965.1 16551 -18516 -18516 -0.00047622 -0.00076195 0.0007429 1.3248e+05 2024-05-07 23:38:58,645 INFO [main.py:798]
{rank 0/64} MD step = 80700 step time: 00:00:00.158518 Performance: 72.225 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:39:09,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80700 16140 149.79 -1998.9 16417 -18416 -18416 -0.00085719 -0.00083814 0.00030478 1.3269e+05 2024-05-07 23:39:24,925 INFO [main.py:798]
{rank 0/64} MD step = 80800 step time: 00:00:00.147821 Performance: 72.216 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:39:30,714 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 149.49 -1988.5 16385 -18373 -18373 -0.00081909 -0.00034288 0.00091434 1.3286e+05 2024-05-07 23:39:46,909 INFO [main.py:798]
{rank 0/64} MD step = 80900 step time: 00:00:00.164755 Performance: 72.223 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:39:53,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80900 16180 149.14 -2046.2 16346 -18392 -18392 -0.00069528 -0.00059051 0.00060956 1.3299e+05 2024-05-07 23:40:09,225 INFO [main.py:798]
{rank 0/64} MD step = 81000 step time: 00:00:00.154792 Performance: 72.229 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:40:15,803 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 151.71 -1814 16628 -18442 -18442 -0.00072385 -0.00049527 0.000781 1.3317e+05 2024-05-07 23:40:31,900 INFO [main.py:798]
{rank 0/64} MD step = 81100 step time: 00:00:00.144792 Performance: 72.234 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:40:38,540 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 149.29 -1868.1 16363 -18231 -18231 -0.00080005 -0.00067623 0.00045717 1.3333e+05 2024-05-07 23:40:54,730 INFO [main.py:798]
{rank 0/64} MD step = 81200 step time: 00:00:00.156876 Performance: 72.238 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:40:59,105 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 149.43 -2132.2 16378 -18510 -18510 -0.00080005 -0.00057146 0.00091434 1.3346e+05 2024-05-07 23:41:15,926 INFO [main.py:798]
{rank 0/64} MD step = 81300 step time: 00:00:00.157121 Performance: 72.248 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:41:22,796 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 150.58 -2123.2 16504 -18627 -18627 -0.00064766 -0.00073337 0.00036193 1.3363e+05 2024-05-07 23:41:38,262 INFO [main.py:798]
{rank 0/64} MD step = 81400 step time: 00:00:00.160820 Performance: 72.254 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:41:45,722 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 151.41 -1870.3 16595 -18465 -18465 -0.00054289 -0.00053336 0.00033335 1.3379e+05 2024-05-07 23:42:05,326 INFO [main.py:798]
{rank 0/64} MD step = 81500 step time: 00:00:00.159294 Performance: 72.242 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:42:15,689 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 152.77 -1965.7 16744 -18709 -18709 -0.00076195 -0.00045717 0.0007048 1.3394e+05 2024-05-07 23:42:30,945 INFO [main.py:798]
{rank 0/64} MD step = 81600 step time: 00:00:00.162564 Performance: 72.236 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:42:40,923 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 150.35 -2029 16479 -18508 -18508 -0.0007048 -0.00022858 0.00072385 1.3418e+05 2024-05-07 23:42:55,659 INFO [main.py:798]
{rank 0/64} MD step = 81700 step time: 00:00:00.148989 Performance: 72.233 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:43:03,044 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 151.83 -1994.1 16641 -18635 -18635 -0.00053336 -0.00049527 0.00041907 1.3434e+05 2024-05-07 23:43:19,007 INFO [main.py:798]
{rank 0/64} MD step = 81800 step time: 00:00:00.159295 Performance: 72.235 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:43:30,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81800 16360 150.52 -1987.5 16498 -18485 -18485 -0.00043336 -0.00068575 0.0010001 1.3451e+05 2024-05-07 23:43:46,095 INFO [main.py:798]
{rank 0/64} MD step = 81900 step time: 00:00:00.160592 Performance: 72.223 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:43:55,111 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 149.51 -2253.1 16387 -18640 -18640 -0.0006667 -0.00087624 0.00059051 1.3465e+05 2024-05-07 23:44:10,630 INFO [main.py:798]
{rank 0/64} MD step = 82000 step time: 00:00:00.154811 Performance: 72.221 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:44:17,038 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 150 -2047.6 16440 -18487 -18487 -0.00067623 -0.00089529 0.00051431 1.348e+05 2024-05-07 23:44:32,858 INFO [main.py:798]
{rank 0/64} MD step = 82100 step time: 00:00:00.157655 Performance: 72.227 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:44:40,496 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 149.27 -2080.3 16360 -18440 -18440 -0.00053336 -0.00043812 0.00089529 1.3499e+05 2024-05-07 23:44:56,484 INFO [main.py:798]
{rank 0/64} MD step = 82200 step time: 00:00:00.162924 Performance: 72.228 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:45:04,088 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 150.14 -1874.7 16455 -18330 -18330 -0.00049527 -0.00083814 0.00022858 1.352e+05 2024-05-07 23:45:20,473 INFO [main.py:798]
{rank 0/64} MD step = 82300 step time: 00:00:00.162517 Performance: 72.228 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:45:25,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82300 16460 149.5 -2140 16386 -18526 -18526 -0.00068575 -0.00053336 0.00055241 1.3534e+05 2024-05-07 23:45:41,583 INFO [main.py:798]
{rank 0/64} MD step = 82400 step time: 00:00:00.159790 Performance: 72.239 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:45:46,233 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 151.93 -1715.9 16651 -18367 -18367 -0.00080005 -0.00025716 0.00085719 1.3549e+05 2024-05-07 23:46:03,962 INFO [main.py:798]
{rank 0/64} MD step = 82500 step time: 00:00:00.164264 Performance: 72.244 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:46:09,674 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 147.65 -2046 16183 -18229 -18229 -0.00064766 -0.00052384 0.0003143 1.3571e+05 2024-05-07 23:46:25,732 INFO [main.py:798]
{rank 0/64} MD step = 82600 step time: 00:00:00.158169 Performance: 72.252 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:46:32,991 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 150.87 -1718.7 16536 -18255 -18255 -0.00045717 -0.00056194 0.00072385 1.358e+05 2024-05-07 23:46:48,885 INFO [main.py:798]
{rank 0/64} MD step = 82700 step time: 00:00:00.162116 Performance: 72.255 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:46:56,189 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 149.29 -2205.1 16363 -18568 -18568 -0.00055241 -0.000781 0.0010477 1.3594e+05 2024-05-07 23:47:11,319 INFO [main.py:798]
{rank 0/64} MD step = 82800 step time: 00:00:00.149854 Performance: 72.260 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:47:16,849 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 151.19 -1778.5 16571 -18349 -18349 -0.00059051 -0.00045717 0.00081909 1.3615e+05 2024-05-07 23:47:32,578 INFO [main.py:798]
{rank 0/64} MD step = 82900 step time: 00:00:00.153138 Performance: 72.270 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:47:39,668 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 150.04 -1830.3 16445 -18275 -18275 -0.00041907 -0.00080005 0.00041907 1.3635e+05 2024-05-07 23:47:54,715 INFO [main.py:798]
{rank 0/64} MD step = 83000 step time: 00:00:00.148879 Performance: 72.276 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:48:05,199 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 149.83 -2107 16421 -18528 -18528 -0.00076195 -0.00069528 0.00060956 1.3652e+05 2024-05-07 23:48:19,283 INFO [main.py:798]
{rank 0/64} MD step = 83100 step time: 00:00:00.136074 Performance: 72.274 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:48:27,056 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 148.81 -2151.1 16309 -18460 -18460 -0.00099053 -0.00065718 0.00051431 1.3669e+05 2024-05-07 23:48:42,804 INFO [main.py:798]
{rank 0/64} MD step = 83200 step time: 00:00:00.151772 Performance: 72.275 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:48:48,367 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 152.63 -1821.3 16728 -18550 -18550 -0.00093339 -0.00049527 0.0007048 1.3677e+05 2024-05-07 23:49:04,712 INFO [main.py:798]
{rank 0/64} MD step = 83300 step time: 00:00:00.159188 Performance: 72.283 ns/day 0.332 hours/ns 4.183 steps/s 2024-05-07 23:49:09,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83300 16660 151.9 -1765.9 16648 -18414 -18414 -0.00060956 -0.00087624 0.00045717 1.3698e+05 2024-05-07 23:49:25,844 INFO [main.py:798]
{rank 0/64} MD step = 83400 step time: 00:00:00.161047 Performance: 72.293 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:49:31,884 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 148.46 -2112.8 16271 -18384 -18384 -0.00067623 -0.00017144 0.00032383 1.3715e+05 2024-05-07 23:49:47,709 INFO [main.py:798]
{rank 0/64} MD step = 83500 step time: 00:00:00.164957 Performance: 72.300 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:49:54,868 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 150.21 -1902.1 16464 -18366 -18366 -0.00068575 -0.00047622 0.00049527 1.3729e+05 2024-05-07 23:50:11,264 INFO [main.py:798]
{rank 0/64} MD step = 83600 step time: 00:00:00.156877 Performance: 72.301 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:50:18,567 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 151.93 -1809 16651 -18460 -18460 -0.00083814 -0.00064766 0.00045717 1.3747e+05 2024-05-07 23:50:34,369 INFO [main.py:798]
{rank 0/64} MD step = 83700 step time: 00:00:00.161462 Performance: 72.304 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:50:42,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83700 16740 150.27 -1842.1 16470 -18312 -18312 -0.00099529 -0.00028573 0.00059051 1.3764e+05 2024-05-07 23:50:57,729 INFO [main.py:798]
{rank 0/64} MD step = 83800 step time: 00:00:00.150235 Performance: 72.306 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:51:02,670 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 151.02 -1780.2 16552 -18332 -18332 -0.00087624 -0.00040002 0.00076195 1.3782e+05 2024-05-07 23:51:20,809 INFO [main.py:798]
{rank 0/64} MD step = 83900 step time: 00:00:00.151722 Performance: 72.309 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:51:26,751 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 148.02 -2095.7 16224 -18319 -18319 -0.0007429 -0.00076195 0.00080005 1.3794e+05 2024-05-07 23:51:42,350 INFO [main.py:798]
{rank 0/64} MD step = 84000 step time: 00:00:00.160102 Performance: 72.318 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:51:50,790 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 153.46 -1650 16819 -18469 -18469 -0.00091434 -0.00024763 0.00095243 1.3809e+05 2024-05-07 23:52:04,848 INFO [main.py:798]
{rank 0/64} MD step = 84100 step time: 00:00:00.154284 Performance: 72.323 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:52:13,104 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 150.45 -1781.4 16490 -18271 -18271 -0.00076195 -0.00022858 0.00033335 1.3825e+05 2024-05-07 23:52:28,770 INFO [main.py:798]
{rank 0/64} MD step = 84200 step time: 00:00:00.151744 Performance: 72.323 ns/day 0.332 hours/ns 4.185 steps/s 2024-05-07 23:52:36,820 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 148.51 -2100.5 16277 -18378 -18378 -0.0010382 -0.00089529 0.00041907 1.3835e+05 2024-05-07 23:52:51,169 INFO [main.py:798]
{rank 0/64} MD step = 84300 step time: 00:00:00.148337 Performance: 72.328 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 23:52:57,797 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 147.07 -2385.8 16119 -18505 -18505 -0.00057146 -0.00059051 0.00061908 1.3851e+05 2024-05-07 23:53:12,932 INFO [main.py:798]
{rank 0/64} MD step = 84400 step time: 00:00:00.161580 Performance: 72.336 ns/day 0.332 hours/ns 4.186 steps/s 2024-05-07 23:53:17,710 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 146.75 -2394.7 16084 -18479 -18479 -0.00064766 -0.00045717 0.00045717 1.3873e+05 2024-05-07 23:53:34,702 INFO [main.py:798]
{rank 0/64} MD step = 84500 step time: 00:00:00.150203 Performance: 72.343 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 23:53:42,195 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 151.9 -1910.3 16649 -18559 -18559 -0.00072385 -0.00038097 0.00030478 1.3887e+05 2024-05-07 23:53:57,610 INFO [main.py:798]
{rank 0/64} MD step = 84600 step time: 00:00:00.144543 Performance: 72.347 ns/day 0.332 hours/ns 4.187 steps/s 2024-05-07 23:54:20,075 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 149.57 -2024.9 16393 -18417 -18417 -0.00076195 -0.00030478 0.00085719 1.3901e+05 2024-05-07 23:54:35,875 INFO [main.py:798]
{rank 0/64} MD step = 84700 step time: 00:00:00.158084 Performance: 72.295 ns/day 0.332 hours/ns 4.184 steps/s 2024-05-07 23:54:49,491 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 150.45 -2148.9 16489 -18638 -18638 -0.00071909 -0.00053336 0.00047622 1.3922e+05 2024-05-07 23:55:09,459 INFO [main.py:798]
{rank 0/64} MD step = 84800 step time: 00:00:00.134424 Performance: 72.261 ns/day 0.332 hours/ns 4.182 steps/s 2024-05-07 23:55:18,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84800 16960 149.92 -2279.2 16431 -18711 -18711 -0.00038097 -0.00060956 0.00076195 1.3937e+05 2024-05-07 23:55:34,868 INFO [main.py:798]
{rank 0/64} MD step = 84900 step time: 00:00:00.144676 Performance: 72.255 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:55:45,679 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 148.01 -2612 16222 -18834 -18834 -0.00053336 -0.00054289 0.00030478 1.3953e+05 2024-05-07 23:56:00,520 INFO [main.py:798]
{rank 0/64} MD step = 85000 step time: 00:00:00.147183 Performance: 72.249 ns/day 0.332 hours/ns 4.181 steps/s 2024-05-07 23:56:15,356 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 147.51 -2404.9 16168 -18572 -18572 -0.00053336 -0.00087624 0.00024763 1.3969e+05 2024-05-07 23:56:31,009 INFO [main.py:798]
{rank 0/64} MD step = 85100 step time: 00:00:00.140367 Performance: 72.226 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:56:40,175 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 150.82 -2029.5 16530 -18560 -18560 -0.00076195 -0.00076195 0.00072385 1.3988e+05 2024-05-07 23:56:55,888 INFO [main.py:798]
{rank 0/64} MD step = 85200 step time: 00:00:00.155189 Performance: 72.223 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:57:02,398 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 150.9 -2021.3 16539 -18560 -18560 -0.00083814 -0.00057146 0.00045717 1.4003e+05 2024-05-07 23:57:18,143 INFO [main.py:798]
{rank 0/64} MD step = 85300 step time: 00:00:00.147872 Performance: 72.228 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:57:29,964 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 149.59 -2174.7 16396 -18570 -18570 -0.00093339 -0.0007048 0.0006667 1.4017e+05 2024-05-07 23:57:45,423 INFO [main.py:798]
{rank 0/64} MD step = 85400 step time: 00:00:00.168520 Performance: 72.217 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:57:53,612 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 148.31 -2210.2 16255 -18466 -18466 -0.000781 -0.00041907 0.00041907 1.4032e+05 2024-05-07 23:58:09,133 INFO [main.py:798]
{rank 0/64} MD step = 85500 step time: 00:00:00.166565 Performance: 72.217 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:58:14,639 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 150.2 -2061.9 16462 -18524 -18524 -0.00075242 -0.00053336 0.00053336 1.4051e+05 2024-05-07 23:58:31,620 INFO [main.py:798]
{rank 0/64} MD step = 85600 step time: 00:00:00.159652 Performance: 72.222 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:58:37,262 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 149.99 -1969.9 16439 -18409 -18409 -0.00057146 -0.00076195 0.00099053 1.4066e+05 2024-05-07 23:58:52,934 INFO [main.py:798]
{rank 0/64} MD step = 85700 step time: 00:00:00.155729 Performance: 72.232 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:59:02,543 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 151.7 -1819.1 16627 -18446 -18446 -0.00028573 -0.00028573 0.0010667 1.4085e+05 2024-05-07 23:59:18,326 INFO [main.py:798]
{rank 0/64} MD step = 85800 step time: 00:00:00.160992 Performance: 72.226 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-07 23:59:28,373 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 149.24 -2166 16357 -18523 -18523 -0.00060956 -0.00068575 0.00022858 1.4097e+05 2024-05-07 23:59:43,788 INFO [main.py:798]
{rank 0/64} MD step = 85900 step time: 00:00:00.161823 Performance: 72.221 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-07 23:59:51,399 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 150.9 -1886.4 16539 -18426 -18426 -0.00058099 -0.00045717 0.00038097 1.412e+05 2024-05-08 00:00:07,072 INFO [main.py:798]
{rank 0/64} MD step = 86000 step time: 00:00:00.163816 Performance: 72.223 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-08 00:00:16,796 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 149.47 -2047.4 16382 -18430 -18430 -0.00043812 -0.00080005 0.00030478 1.4132e+05 2024-05-08 00:00:32,545 INFO [main.py:798]
{rank 0/64} MD step = 86100 step time: 00:00:00.168185 Performance: 72.218 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-08 00:00:37,333 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 148.71 -2365.1 16299 -18664 -18664 -0.00068575 -0.00087624 0.00060956 1.4145e+05 2024-05-08 00:00:54,848 INFO [main.py:798]
{rank 0/64} MD step = 86200 step time: 00:00:00.160739 Performance: 72.224 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-08 00:01:02,855 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 149.06 -2172.1 16337 -18509 -18509 -0.00029525 -0.00068575 0.00060956 1.4164e+05 2024-05-08 00:01:18,446 INFO [main.py:798]
{rank 0/64} MD step = 86300 step time: 00:00:00.154218 Performance: 72.225 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-08 00:01:26,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86300 17260 148.51 -2066.9 16276 -18343 -18343 -0.00048574 -0.00073337 0.00076195 1.418e+05 2024-05-08 00:01:41,850 INFO [main.py:798]
{rank 0/64} MD step = 86400 step time: 00:00:00.145997 Performance: 72.227 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-08 00:01:48,553 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 147.9 -2207.5 16210 -18417 -18417 -0.00015239 -0.00060956 0.00047622 1.4199e+05 2024-05-08 00:02:04,983 INFO [main.py:798]
{rank 0/64} MD step = 86500 step time: 00:00:00.155058 Performance: 72.229 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-08 00:02:12,819 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 147.84 -2169.8 16203 -18373 -18373 -0.00095243 -0.00038097 0.00046669 1.4216e+05 2024-05-08 00:02:28,510 INFO [main.py:798]
{rank 0/64} MD step = 86600 step time: 00:00:00.164149 Performance: 72.231 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-08 00:02:37,998 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 151.1 -1806.1 16561 -18367 -18367 -0.00068575 -0.00080005 0.00076195 1.4236e+05 2024-05-08 00:02:53,522 INFO [main.py:798]
{rank 0/64} MD step = 86700 step time: 00:00:00.162235 Performance: 72.227 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-08 00:03:00,209 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 148.56 -2153.8 16282 -18436 -18436 -0.00064766 -0.00043812 0.00057622 1.4255e+05 2024-05-08 00:03:15,780 INFO [main.py:798]
{rank 0/64} MD step = 86800 step time: 00:00:00.166903 Performance: 72.233 ns/day 0.332 hours/ns 4.180 steps/s 2024-05-08 00:03:27,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86800 17360 151.52 -1815.2 16607 -18422 -18422 -0.00067623 -0.0007048 0.00083814 1.427e+05 2024-05-08 00:03:43,229 INFO [main.py:798]
{rank 0/64} MD step = 86900 step time: 00:00:00.163013 Performance: 72.220 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-08 00:03:54,476 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 151.86 -1708.3 16644 -18353 -18353 -0.00076195 -0.00060956 0.00076195 1.4285e+05 2024-05-08 00:04:10,736 INFO [main.py:798]
{rank 0/64} MD step = 87000 step time: 00:00:00.165468 Performance: 72.208 ns/day 0.332 hours/ns 4.179 steps/s 2024-05-08 00:04:20,784 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 151.09 -1886.9 16560 -18447 -18447 -0.00080957 -0.00053336 0.00045717 1.4301e+05 2024-05-08 00:04:36,519 INFO [main.py:798]
{rank 0/64} MD step = 87100 step time: 00:00:00.159370 Performance: 72.202 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-08 00:04:43,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87100 17420 151.01 -1960.6 16551 -18512 -18512 -0.00064766 -0.00062861 0.00041907 1.4313e+05 2024-05-08 00:05:00,828 INFO [main.py:798]
{rank 0/64} MD step = 87200 step time: 00:00:00.163265 Performance: 72.200 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-08 00:05:09,332 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 151.45 -1852.7 16599 -18452 -18452 -0.00087624 -0.00034288 0.00068575 1.433e+05 2024-05-08 00:05:25,225 INFO [main.py:798]
{rank 0/64} MD step = 87300 step time: 00:00:00.161343 Performance: 72.199 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-08 00:05:33,248 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 148.63 -2336.6 16290 -18626 -18626 -0.00093339 -0.0007429 0.0007048 1.4345e+05 2024-05-08 00:05:49,184 INFO [main.py:798]
{rank 0/64} MD step = 87400 step time: 00:00:00.155244 Performance: 72.199 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-08 00:05:56,664 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 149.98 -1774.1 16438 -18212 -18212 -0.00038097 -0.00053336 0.00076195 1.4363e+05 2024-05-08 00:06:12,143 INFO [main.py:798]
{rank 0/64} MD step = 87500 step time: 00:00:00.140202 Performance: 72.202 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-08 00:06:21,966 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 148.36 -2142.1 16260 -18402 -18402 -0.00095243 -0.0007048 0.00076195 1.4379e+05 2024-05-08 00:06:37,452 INFO [main.py:798]
{rank 0/64} MD step = 87600 step time: 00:00:00.155193 Performance: 72.197 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-08 00:06:44,183 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 148.67 -2176.7 16294 -18471 -18471 -0.00040002 -0.00085719 0.00036193 1.4396e+05 2024-05-08 00:07:02,030 INFO [main.py:798]
{rank 0/64} MD step = 87700 step time: 00:00:00.155411 Performance: 72.195 ns/day 0.332 hours/ns 4.178 steps/s 2024-05-08 00:07:27,794 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 148.4 -2306.5 16265 -18571 -18571 -0.00076195 -0.000781 0.00055241 1.4408e+05 2024-05-08 00:07:46,007 INFO [main.py:798]
{rank 0/64} MD step = 87800 step time: 00:00:00.161557 Performance: 72.126 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-08 00:07:52,271 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 151.41 -1807.3 16595 -18402 -18402 -0.00034288 -0.00057146 0.00088576 1.4429e+05 2024-05-08 00:08:11,274 INFO [main.py:798]
{rank 0/64} MD step = 87900 step time: 00:00:00.158865 Performance: 72.122 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-08 00:08:19,925 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 148.66 -2229.5 16293 -18523 -18523 -0.00053336 -0.00051431 0.00019049 1.4445e+05 2024-05-08 00:08:35,750 INFO [main.py:798]
{rank 0/64} MD step = 88000 step time: 00:00:00.172333 Performance: 72.120 ns/day 0.333 hours/ns 4.174 steps/s 2024-05-08 00:08:43,591 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 150.5 -1985.9 16495 -18481 -18481 -0.00055241 -0.00087624 0.000781 1.4459e+05 2024-05-08 00:09:01,633 INFO [main.py:798]
{rank 0/64} MD step = 88100 step time: 00:00:00.161248 Performance: 72.113 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-08 00:09:09,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88100 17620 148.9 -2273.2 16320 -18593 -18593 -0.00045717 -0.00093339 0.00080005 1.4476e+05 2024-05-08 00:09:24,869 INFO [main.py:798]
{rank 0/64} MD step = 88200 step time: 00:00:00.173219 Performance: 72.116 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-08 00:09:32,578 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 149.72 -2294.4 16409 -18704 -18704 -0.00099053 -0.00076195 0.00050479 1.4488e+05 2024-05-08 00:09:49,691 INFO [main.py:798]
{rank 0/64} MD step = 88300 step time: 00:00:00.150979 Performance: 72.113 ns/day 0.333 hours/ns 4.173 steps/s 2024-05-08 00:10:07,638 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 151.9 -1706.6 16648 -18355 -18355 -0.00091434 -0.00057146 0.00059051 1.4508e+05 2024-05-08 00:10:22,835 INFO [main.py:798]
{rank 0/64} MD step = 88400 step time: 00:00:00.156445 Performance: 72.082 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-08 00:10:32,809 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 148.63 -2047.2 16290 -18337 -18337 -0.00026668 -0.00057146 0.00076195 1.4522e+05 2024-05-08 00:10:48,070 INFO [main.py:798]
{rank 0/64} MD step = 88500 step time: 00:00:00.135286 Performance: 72.077 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-08 00:10:58,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88500 17700 150.11 -1970.1 16453 -18423 -18423 -0.00080005 -0.00038097 0.00034288 1.4539e+05 2024-05-08 00:11:13,288 INFO [main.py:798]
{rank 0/64} MD step = 88600 step time: 00:00:00.150423 Performance: 72.073 ns/day 0.333 hours/ns 4.171 steps/s 2024-05-08 00:11:26,383 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 149.1 -1966.9 16342 -18309 -18309 -0.0006667 -0.00055241 0.00057146 1.4555e+05 2024-05-08 00:11:42,656 INFO [main.py:798]
{rank 0/64} MD step = 88700 step time: 00:00:00.145464 Performance: 72.055 ns/day 0.333 hours/ns 4.170 steps/s 2024-05-08 00:12:28,736 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 149.54 -2010.4 16390 -18400 -18400 -0.00025716 -0.00095243 0.00081909 1.4575e+05 2024-05-08 00:12:44,436 INFO [main.py:798]
{rank 0/64} MD step = 88800 step time: 00:00:00.163940 Performance: 71.927 ns/day 0.334 hours/ns 4.162 steps/s 2024-05-08 00:12:52,599 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 150.2 -1838.7 16462 -18301 -18301 -0.00071433 -0.0003524 0.00076195 1.4593e+05 2024-05-08 00:13:08,175 INFO [main.py:798]
{rank 0/64} MD step = 88900 step time: 00:00:00.163815 Performance: 71.928 ns/day 0.334 hours/ns 4.163 steps/s 2024-05-08 00:13:18,405 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 150.14 -1947 16455 -18402 -18402 -0.00060003 -0.00049527 0.00045717 1.4602e+05 2024-05-08 00:13:33,969 INFO [main.py:798]
{rank 0/64} MD step = 89000 step time: 00:00:00.158458 Performance: 71.922 ns/day 0.334 hours/ns 4.162 steps/s 2024-05-08 00:13:45,620 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 153.73 -1468 16849 -18317 -18317 -0.00040002 -0.00057146 0.00062861 1.4628e+05 2024-05-08 00:14:01,510 INFO [main.py:798]
{rank 0/64} MD step = 89100 step time: 00:00:00.143061 Performance: 71.910 ns/day 0.334 hours/ns 4.161 steps/s 2024-05-08 00:14:18,031 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 150.65 -1935.5 16512 -18447 -18447 -0.00051431 -0.00091434 0.00053336 1.4645e+05 2024-05-08 00:14:33,060 INFO [main.py:798]
{rank 0/64} MD step = 89200 step time: 00:00:00.144933 Performance: 71.885 ns/day 0.334 hours/ns 4.160 steps/s 2024-05-08 00:14:41,298 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 151.33 -1823 16585 -18408 -18408 -0.00038097 -0.00061908 0.00045717 1.4664e+05 2024-05-08 00:14:56,564 INFO [main.py:798]
{rank 0/64} MD step = 89300 step time: 00:00:00.156149 Performance: 71.887 ns/day 0.334 hours/ns 4.160 steps/s 2024-05-08 00:15:01,452 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 149.99 -1845.3 16440 -18285 -18285 -0.00065718 -0.00064766 0.00049527 1.4678e+05 2024-05-08 00:15:19,710 INFO [main.py:798]
{rank 0/64} MD step = 89400 step time: 00:00:00.153888 Performance: 71.890 ns/day 0.334 hours/ns 4.160 steps/s 2024-05-08 00:15:57,240 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 151.29 -1871.3 16581 -18453 -18453 -0.00072385 -0.00083814 0.00068575 1.4692e+05 2024-05-08 00:16:21,064 INFO [main.py:798]
{rank 0/64} MD step = 89500 step time: 00:00:00.146185 Performance: 71.766 ns/day 0.334 hours/ns 4.153 steps/s 2024-05-08 00:17:30,482 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 149.23 -1944.9 16355 -18300 -18300 -0.00076195 -0.00082862 0.000781 1.4708e+05 2024-05-08 00:17:46,587 INFO [main.py:798]
{rank 0/64} MD step = 89600 step time: 00:00:00.152697 Performance: 71.562 ns/day 0.335 hours/ns 4.141 steps/s 2024-05-08 00:18:15,303 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 147.72 -2320.1 16190 -18510 -18510 -0.00068575 -0.00088576 0.0007048 1.4722e+05 2024-05-08 00:18:30,679 INFO [main.py:798]
{rank 0/64} MD step = 89700 step time: 00:00:00.150871 Performance: 71.496 ns/day 0.336 hours/ns 4.137 steps/s 2024-05-08 00:18:51,808 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 149.69 -1821.1 16406 -18227 -18227 -0.00076195 -0.00064766 0.00053336 1.4739e+05 2024-05-08 00:19:07,187 INFO [main.py:798]
{rank 0/64} MD step = 89800 step time: 00:00:00.149041 Performance: 71.455 ns/day 0.336 hours/ns 4.135 steps/s 2024-05-08 00:19:43,799 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 150.99 -2059.8 16549 -18608 -18608 -0.00057146 -0.00060956 0.0006667 1.4752e+05 2024-05-08 00:19:58,767 INFO [main.py:798]
{rank 0/64} MD step = 89900 step time: 00:00:00.146637 Performance: 71.365 ns/day 0.336 hours/ns 4.130 steps/s 2024-05-08 00:20:28,944 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 151.79 -1722.8 16636 -18359 -18359 -0.00038097 -0.00099053 0.00062861 1.4763e+05 2024-05-08 00:20:46,537 INFO [main.py:798]
{rank 0/64} MD step = 90000 step time: 00:00:00.153299 Performance: 71.288 ns/day 0.337 hours/ns 4.125 steps/s 2024-05-08 00:21:09,861 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 149 -2157.5 16331 -18488 -18488 -0.00085719 -0.00095243 0.00072385 1.4785e+05 2024-05-08 00:21:26,102 INFO [main.py:798]
{rank 0/64} MD step = 90100 step time: 00:00:00.163559 Performance: 71.238 ns/day 0.337 hours/ns 4.123 steps/s 2024-05-08 00:21:57,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90100 18020 149.18 -2094.2 16350 -18444 -18444 -0.00045717 -0.00041907 0.0006667 1.4801e+05 2024-05-08 00:22:12,450 INFO [main.py:798]
{rank 0/64} MD step = 90200 step time: 00:00:00.164276 Performance: 71.166 ns/day 0.337 hours/ns 4.118 steps/s 2024-05-08 00:23:07,472 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 149.84 -2015.2 16423 -18438 -18438 -0.00081909 -0.00041907 0.00041907 1.482e+05 2024-05-08 00:23:22,980 INFO [main.py:798]
{rank 0/64} MD step = 90300 step time: 00:00:00.163718 Performance: 71.017 ns/day 0.338 hours/ns 4.110 steps/s 2024-05-08 00:23:47,838 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 151.05 -1743.8 16556 -18299 -18299 -0.00064766 -0.00076195 0.00043812 1.4835e+05 2024-05-08 00:24:13,059 INFO [main.py:798]
{rank 0/64} MD step = 90400 step time: 00:00:00.154436 Performance: 70.934 ns/day 0.338 hours/ns 4.105 steps/s 2024-05-08 00:24:50,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90400 18080 148.99 -2454.3 16330 -18784 -18784 -0.00067623 -0.00057146 0.00087624 1.4846e+05 2024-05-08 00:25:05,811 INFO [main.py:798]
{rank 0/64} MD step = 90500 step time: 00:00:00.158437 Performance: 70.842 ns/day 0.339 hours/ns 4.100 steps/s 2024-05-08 00:26:15,914 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 151.25 -1844.2 16577 -18422 -18422 -0.00071433 -0.00051431 0.00038097 1.4864e+05 2024-05-08 00:26:33,377 INFO [main.py:798]
{rank 0/64} MD step = 90600 step time: 00:00:00.139085 Performance: 70.640 ns/day 0.340 hours/ns 4.088 steps/s 2024-05-08 00:27:20,638 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 149.52 -2311.2 16388 -18699 -18699 -0.00030478 -0.00062861 0.00053336 1.4879e+05 2024-05-08 00:27:45,929 INFO [main.py:798]
{rank 0/64} MD step = 90700 step time: 00:00:00.144319 Performance: 70.488 ns/day 0.340 hours/ns 4.079 steps/s 2024-05-08 00:28:37,893 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 149.72 -2022 16410 -18432 -18432 -0.00053813 -0.00057146 0.00045717 1.4897e+05 2024-05-08 00:28:53,740 INFO [main.py:798]
{rank 0/64} MD step = 90800 step time: 00:00:00.170866 Performance: 70.351 ns/day 0.341 hours/ns 4.071 steps/s 2024-05-08 00:29:20,784 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 150.36 -1792.5 16480 -18272 -18272 -0.00034288 -0.00076195 0.00053336 1.4916e+05 2024-05-08 00:29:36,264 INFO [main.py:798]
{rank 0/64} MD step = 90900 step time: 00:00:00.171325 Performance: 70.294 ns/day 0.341 hours/ns 4.068 steps/s 2024-05-08 00:30:17,905 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 149.21 -2067.5 16354 -18421 -18421 -0.00080005 -0.00080005 0.00049527 1.4929e+05 2024-05-08 00:30:32,572 INFO [main.py:798]
{rank 0/64} MD step = 91000 step time: 00:00:00.154301 Performance: 70.195 ns/day 0.342 hours/ns 4.062 steps/s 2024-05-08 00:30:46,288 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 150.68 -1918.1 16514 -18432 -18432 -0.00089529 -0.00064766 0.00053336 1.4946e+05 2024-05-08 00:31:02,216 INFO [main.py:798]
{rank 0/64} MD step = 91100 step time: 00:00:00.157441 Performance: 70.179 ns/day 0.342 hours/ns 4.061 steps/s 2024-05-08 00:31:10,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91100 18220 149.31 -2302.2 16365 -18667 -18667 -0.00099053 -0.0007429 0.00060956 1.4957e+05 2024-05-08 00:31:25,125 INFO [main.py:798]
{rank 0/64} MD step = 91200 step time: 00:00:00.150826 Performance: 70.184 ns/day 0.342 hours/ns 4.062 steps/s 2024-05-08 00:31:54,435 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 149.28 -1877.1 16361 -18238 -18238 -0.00047622 -0.00087624 0.00026668 1.4974e+05 2024-05-08 00:32:11,188 INFO [main.py:798]
{rank 0/64} MD step = 91300 step time: 00:00:00.153886 Performance: 70.117 ns/day 0.342 hours/ns 4.058 steps/s 2024-05-08 00:32:23,042 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 149.21 -2167 16354 -18521 -18521 -0.00053336 -0.00043812 0.00060003 1.4994e+05 2024-05-08 00:32:38,567 INFO [main.py:798]
{rank 0/64} MD step = 91400 step time: 00:00:00.150202 Performance: 70.109 ns/day 0.342 hours/ns 4.057 steps/s 2024-05-08 00:33:00,649 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 151.96 -1850.8 16655 -18506 -18506 -0.0007048 -0.00032383 0.00055241 1.5008e+05 2024-05-08 00:33:15,046 INFO [main.py:798]
{rank 0/64} MD step = 91500 step time: 00:00:00.136848 Performance: 70.072 ns/day 0.343 hours/ns 4.055 steps/s 2024-05-08 00:33:30,098 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 150.32 -1829 16475 -18304 -18304 -0.0007429 -0.00079052 0.00045717 1.5025e+05 2024-05-08 00:33:45,194 INFO [main.py:798]
{rank 0/64} MD step = 91600 step time: 00:00:00.161221 Performance: 70.055 ns/day 0.343 hours/ns 4.054 steps/s 2024-05-08 00:34:54,223 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 151.39 -1682.4 16592 -18275 -18275 -0.0007048 -0.00049527 0.00032859 1.5043e+05 2024-05-08 00:35:07,958 INFO [main.py:798]
{rank 0/64} MD step = 91700 step time: 00:00:00.138316 Performance: 69.876 ns/day 0.343 hours/ns 4.044 steps/s 2024-05-08 00:36:35,016 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 150.78 -1873.9 16526 -18400 -18400 -0.00058099 -0.00076195 0.00083814 1.5059e+05 2024-05-08 00:36:50,216 INFO [main.py:798]
{rank 0/64} MD step = 91800 step time: 00:00:00.152529 Performance: 69.638 ns/day 0.345 hours/ns 4.030 steps/s 2024-05-08 00:37:48,181 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 149.55 -2303.5 16391 -18694 -18694 -0.00080005 -0.00076195 0.00049527 1.5076e+05 2024-05-08 00:38:03,648 INFO [main.py:798]
{rank 0/64} MD step = 91900 step time: 00:00:00.166759 Performance: 69.490 ns/day 0.345 hours/ns 4.021 steps/s 2024-05-08 00:38:17,179 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 150.14 -1873.4 16455 -18328 -18328 -0.00053336 -0.00087624 0.00047622 1.5093e+05 2024-05-08 00:38:48,142 INFO [main.py:798]
{rank 0/64} MD step = 92000 step time: 00:00:00.143472 Performance: 69.430 ns/day 0.346 hours/ns 4.018 steps/s 2024-05-08 00:38:58,359 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 151.4 -1721.9 16593 -18315 -18315 -0.00076195 -0.00045717 0.0007048 1.5112e+05 2024-05-08 00:39:13,810 INFO [main.py:798]
{rank 0/64} MD step = 92100 step time: 00:00:00.148102 Performance: 69.428 ns/day 0.346 hours/ns 4.018 steps/s 2024-05-08 00:39:21,669 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 149.17 -2145.5 16349 -18495 -18495 -0.00080957 -0.00045717 0.00022858 1.5124e+05 2024-05-08 00:39:36,802 INFO [main.py:798]
{rank 0/64} MD step = 92200 step time: 00:00:00.155032 Performance: 69.434 ns/day 0.346 hours/ns 4.018 steps/s 2024-05-08 00:39:46,810 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 150.28 -1936.9 16471 -18408 -18408 -0.00083814 -0.00083814 0.00095243 1.5142e+05 2024-05-08 00:40:05,254 INFO [main.py:798]
{rank 0/64} MD step = 92300 step time: 00:00:00.139062 Performance: 69.423 ns/day 0.346 hours/ns 4.018 steps/s 2024-05-08 00:40:14,122 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 150.34 -1790.4 16478 -18268 -18268 -0.00080005 -0.00045717 0.00082386 1.5157e+05 2024-05-08 00:40:32,855 INFO [main.py:798]
{rank 0/64} MD step = 92400 step time: 00:00:00.155703 Performance: 69.415 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-08 00:40:42,312 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 150.48 -1899.5 16493 -18393 -18393 -0.0006667 -0.00080005 0.00087624 1.5175e+05 2024-05-08 00:40:57,105 INFO [main.py:798]
{rank 0/64} MD step = 92500 step time: 00:00:00.143416 Performance: 69.417 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-08 00:41:10,152 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 151.23 -1993 16575 -18568 -18568 -0.00064766 -0.00064766 0.00076195 1.5188e+05 2024-05-08 00:41:24,868 INFO [main.py:798]
{rank 0/64} MD step = 92600 step time: 00:00:00.146082 Performance: 69.408 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-08 00:41:30,686 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 149.39 -2089.5 16374 -18463 -18463 -0.00080005 -0.00080005 0.00030478 1.5203e+05 2024-05-08 00:41:47,728 INFO [main.py:798]
{rank 0/64} MD step = 92700 step time: 00:00:00.132050 Performance: 69.414 ns/day 0.346 hours/ns 4.017 steps/s 2024-05-08 00:42:20,453 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 148.2 -2372.7 16243 -18616 -18616 -0.00060956 -0.00068575 0.00049527 1.5217e+05 2024-05-08 00:42:35,861 INFO [main.py:798]
{rank 0/64} MD step = 92800 step time: 00:00:00.161433 Performance: 69.344 ns/day 0.346 hours/ns 4.013 steps/s 2024-05-08 00:43:38,951 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 149.75 -2007.2 16413 -18420 -18420 -0.00091434 -0.00099053 0.00047622 1.5237e+05 2024-05-08 00:43:54,039 INFO [main.py:798]
{rank 0/64} MD step = 92900 step time: 00:00:00.148797 Performance: 69.185 ns/day 0.347 hours/ns 4.004 steps/s 2024-05-08 00:44:21,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92900 18580 149.15 -2138.6 16348 -18486 -18486 -0.00064766 -0.00062861 0.00053336 1.525e+05 2024-05-08 00:44:52,903 INFO [main.py:798]
{rank 0/64} MD step = 93000 step time: 00:00:00.153344 Performance: 69.084 ns/day 0.347 hours/ns 3.998 steps/s 2024-05-08 00:45:00,994 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 147.81 -2224.5 16201 -18425 -18425 -0.00038097 -0.000781 0.00026668 1.5267e+05 2024-05-08 00:45:16,503 INFO [main.py:798]
{rank 0/64} MD step = 93100 step time: 00:00:00.148162 Performance: 69.089 ns/day 0.347 hours/ns 3.998 steps/s 2024-05-08 00:45:23,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93100 18620 153.18 -1496.1 16789 -18285 -18285 -0.00045717 -0.00050479 0.00010477 1.5284e+05 2024-05-08 00:45:39,260 INFO [main.py:798]
{rank 0/64} MD step = 93200 step time: 00:00:00.157123 Performance: 69.095 ns/day 0.347 hours/ns 3.999 steps/s 2024-05-08 00:45:47,131 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 149.07 -2207.4 16338 -18545 -18545 -0.0006667 -0.00057146 0.0007048 1.5301e+05 2024-05-08 00:46:03,256 INFO [main.py:798]
{rank 0/64} MD step = 93300 step time: 00:00:00.147594 Performance: 69.098 ns/day 0.347 hours/ns 3.999 steps/s 2024-05-08 00:46:13,001 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 152.12 -1760.5 16673 -18434 -18434 -0.00036193 -0.00060956 0.00060956 1.5319e+05 2024-05-08 00:46:28,481 INFO [main.py:798]
{rank 0/64} MD step = 93400 step time: 00:00:00.144973 Performance: 69.098 ns/day 0.347 hours/ns 3.999 steps/s 2024-05-08 00:46:35,000 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 149.28 -2076.7 16362 -18438 -18438 -0.00095243 -0.00068575 0.00015239 1.5338e+05 2024-05-08 00:46:51,634 INFO [main.py:798]
{rank 0/64} MD step = 93500 step time: 00:00:00.143981 Performance: 69.103 ns/day 0.347 hours/ns 3.999 steps/s 2024-05-08 00:47:11,613 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 147.87 -2417.6 16207 -18624 -18624 -0.00040002 -0.00085719 0.00038097 1.5357e+05 2024-05-08 00:47:26,387 INFO [main.py:798]
{rank 0/64} MD step = 93600 step time: 00:00:00.148598 Performance: 69.074 ns/day 0.347 hours/ns 3.997 steps/s 2024-05-08 00:48:02,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93600 18720 151.92 -1968.5 16651 -18619 -18619 -0.00060956 -0.00026668 0 1.5378e+05 2024-05-08 00:48:21,543 INFO [main.py:798]
{rank 0/64} MD step = 93700 step time: 00:00:00.145983 Performance: 68.986 ns/day 0.348 hours/ns 3.992 steps/s 2024-05-08 00:48:59,349 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 150.46 -2109.6 16490 -18600 -18600 -0.00083814 -0.00055241 0.00076195 1.5394e+05 2024-05-08 00:49:14,635 INFO [main.py:798]
{rank 0/64} MD step = 93800 step time: 00:00:00.135127 Performance: 68.903 ns/day 0.348 hours/ns 3.987 steps/s 2024-05-08 00:50:21,469 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 148.2 -2087.4 16243 -18330 -18330 -0.00041907 -0.00095243 0.00034288 1.5413e+05 2024-05-08 00:50:41,382 INFO [main.py:798]
{rank 0/64} MD step = 93900 step time: 00:00:00.145435 Performance: 68.723 ns/day 0.349 hours/ns 3.977 steps/s 2024-05-08 00:51:35,980 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 149.48 -2051.5 16383 -18435 -18435 -0.00028573 -0.00055241 0.00040002 1.5427e+05 2024-05-08 00:51:59,401 INFO [main.py:798]
{rank 0/64} MD step = 94000 step time: 00:00:00.141219 Performance: 68.570 ns/day 0.350 hours/ns 3.968 steps/s 2024-05-08 00:53:00,578 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 152.04 -1589.5 16664 -18253 -18253 -0.00061432 -0.00049527 0.00047622 1.5443e+05 2024-05-08 00:53:18,775 INFO [main.py:798]
{rank 0/64} MD step = 94100 step time: 00:00:00.157402 Performance: 68.414 ns/day 0.351 hours/ns 3.959 steps/s 2024-05-08 00:54:07,954 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 148.62 -2107.5 16289 -18397 -18397 -0.00062861 -0.00091434 0.00062861 1.5459e+05 2024-05-08 00:54:22,978 INFO [main.py:798]
{rank 0/64} MD step = 94200 step time: 00:00:00.131951 Performance: 68.302 ns/day 0.351 hours/ns 3.953 steps/s 2024-05-08 00:55:09,338 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 150.75 -1886.5 16522 -18409 -18409 -0.00046669 -0.00084767 0.00057146 1.5477e+05 2024-05-08 00:55:24,047 INFO [main.py:798]
{rank 0/64} MD step = 94300 step time: 00:00:00.163901 Performance: 68.200 ns/day 0.352 hours/ns 3.947 steps/s 2024-05-08 00:56:02,614 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 150.09 -1930.4 16450 -18380 -18380 -0.00030478 -0.00076195 0.00080005 1.5497e+05 2024-05-08 00:56:20,740 INFO [main.py:798]
{rank 0/64} MD step = 94400 step time: 00:00:00.141125 Performance: 68.110 ns/day 0.352 hours/ns 3.942 steps/s 2024-05-08 00:57:09,936 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 149.07 -2262.9 16339 -18602 -18602 -0.00081909 -0.00051431 0.00076195 1.5512e+05 2024-05-08 00:57:31,089 INFO [main.py:798]
{rank 0/64} MD step = 94500 step time: 00:00:00.154697 Performance: 67.983 ns/day 0.353 hours/ns 3.934 steps/s 2024-05-08 00:58:09,397 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 148.85 -2242.6 16314 -18556 -18556 -0.0006667 -0.00072385 0.00060003 1.5523e+05 2024-05-08 00:58:24,270 INFO [main.py:798]
{rank 0/64} MD step = 94600 step time: 00:00:00.153293 Performance: 67.904 ns/day 0.353 hours/ns 3.930 steps/s 2024-05-08 00:58:48,492 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 151.77 -1878.8 16634 -18513 -18513 -0.00076195 -0.00030478 0.0007048 1.5542e+05 2024-05-08 00:59:08,829 INFO [main.py:798]
{rank 0/64} MD step = 94700 step time: 00:00:00.145670 Performance: 67.851 ns/day 0.354 hours/ns 3.927 steps/s 2024-05-08 00:59:38,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94700 18940 149.77 -2037.3 16415 -18453 -18453 -0.00057146 -0.00049527 0.00045717 1.5566e+05 2024-05-08 00:59:53,881 INFO [main.py:798]
{rank 0/64} MD step = 94800 step time: 00:00:00.154955 Performance: 67.796 ns/day 0.354 hours/ns 3.923 steps/s 2024-05-08 01:00:26,293 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 151.6 -1712.1 16615 -18327 -18327 -0.0007048 -0.00045717 0.00091434 1.5578e+05 2024-05-08 01:00:46,557 INFO [main.py:798]
{rank 0/64} MD step = 94900 step time: 00:00:00.151031 Performance: 67.720 ns/day 0.354 hours/ns 3.919 steps/s 2024-05-08 01:01:07,203 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 151.94 -1836.6 16652 -18489 -18489 -0.00064766 -0.00068575 0.00045717 1.5589e+05 2024-05-08 01:01:23,939 INFO [main.py:798]
{rank 0/64} MD step = 95000 step time: 00:00:00.159802 Performance: 67.686 ns/day 0.355 hours/ns 3.917 steps/s 2024-05-08 01:01:49,938 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 150.68 -1871.2 16515 -18386 -18386 -0.00094291 -0.00085719 0.00047622 1.5609e+05 2024-05-08 01:02:06,794 INFO [main.py:798]
{rank 0/64} MD step = 95100 step time: 00:00:00.152297 Performance: 67.638 ns/day 0.355 hours/ns 3.914 steps/s 2024-05-08 01:02:35,899 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 150.18 -2063.3 16460 -18523 -18523 -0.00060956 -0.00091434 0.00047622 1.5626e+05 2024-05-08 01:02:51,697 INFO [main.py:798]
{rank 0/64} MD step = 95200 step time: 00:00:00.161623 Performance: 67.584 ns/day 0.355 hours/ns 3.911 steps/s 2024-05-08 01:03:08,603 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 150.2 -1792.1 16462 -18254 -18254 -0.00091434 -0.00049527 0.00053336 1.5645e+05 2024-05-08 01:03:52,462 INFO [main.py:798]
{rank 0/64} MD step = 95300 step time: 00:00:00.150930 Performance: 67.487 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-08 01:05:10,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95300 19060 150.63 -1955.3 16509 -18465 -18465 -3.8097e-05 -0.00055241 0.00060956 1.5658e+05 2024-05-08 01:05:34,225 INFO [main.py:798]
{rank 0/64} MD step = 95400 step time: 00:00:00.149513 Performance: 67.277 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-08 01:06:22,250 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 150.14 -2007.4 16455 -18463 -18463 -0.00076195 -0.00091434 0.00020001 1.5675e+05 2024-05-08 01:06:38,085 INFO [main.py:798]
{rank 0/64} MD step = 95500 step time: 00:00:00.153901 Performance: 67.173 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-08 01:07:05,576 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 148.2 -2110.8 16243 -18354 -18354 -0.00049527 -0.00060956 0.00041907 1.569e+05 2024-05-08 01:07:44,149 INFO [main.py:798]
{rank 0/64} MD step = 95600 step time: 00:00:00.160830 Performance: 67.063 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-08 01:08:33,473 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 150.09 -1900 16450 -18350 -18350 -0.00076195 -0.00075242 0.00034288 1.5708e+05 2024-05-08 01:08:49,539 INFO [main.py:798]
{rank 0/64} MD step = 95700 step time: 00:00:00.155833 Performance: 66.955 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-08 01:09:23,718 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 150.57 -1692.8 16503 -18196 -18196 -0.00034288 -0.00045717 0.00040002 1.5723e+05 2024-05-08 01:09:38,821 INFO [main.py:798]
{rank 0/64} MD step = 95800 step time: 00:00:00.148858 Performance: 66.891 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-08 01:10:41,787 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 150.58 -1745.7 16504 -18250 -18250 -0.00043812 -0.00045717 0.00083814 1.5739e+05 2024-05-08 01:11:01,274 INFO [main.py:798]
{rank 0/64} MD step = 95900 step time: 00:00:00.161207 Performance: 66.739 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-08 01:11:24,284 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 150.68 -1874 16514 -18388 -18388 -0.00095243 -0.00069528 0.00085719 1.5756e+05 2024-05-08 01:11:57,102 INFO [main.py:798]
{rank 0/64} MD step = 96000 step time: 00:00:00.151646 Performance: 66.659 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-08 01:13:04,707 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 150.51 -1870.5 16496 -18367 -18367 -0.00045717 -0.00083814 0.00038097 1.5771e+05 2024-05-08 01:13:18,958 INFO [main.py:798]
{rank 0/64} MD step = 96100 step time: 00:00:00.145398 Performance: 66.509 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-08 01:14:26,079 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 149.29 -1967.1 16362 -18329 -18329 -0.0010477 -0.00034288 0.000781 1.5791e+05 2024-05-08 01:15:10,116 INFO [main.py:798]
{rank 0/64} MD step = 96200 step time: 00:00:00.133449 Performance: 66.283 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-08 01:15:39,802 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 148.66 -1803.9 16293 -18097 -18097 -0.00068575 -0.00068575 0.00049527 1.5804e+05 2024-05-08 01:15:54,112 INFO [main.py:798]
{rank 0/64} MD step = 96300 step time: 00:00:00.159614 Performance: 66.236 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-08 01:16:27,589 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 148.9 -1896.8 16320 -18217 -18217 -0.00080005 -0.00064766 0.00076195 1.5817e+05 2024-05-08 01:16:43,230 INFO [main.py:798]
{rank 0/64} MD step = 96400 step time: 00:00:00.160389 Performance: 66.176 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-08 01:17:34,127 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 151.14 -1750.8 16565 -18316 -18316 -0.00055241 -0.00047622 0.00036193 1.5835e+05 2024-05-08 01:18:10,615 INFO [main.py:798]
{rank 0/64} MD step = 96500 step time: 00:00:00.160009 Performance: 66.015 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-08 01:18:53,447 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 148.71 -1962.4 16299 -18261 -18261 -0.00049527 -0.00087624 0.00060956 1.585e+05 2024-05-08 01:19:08,573 INFO [main.py:798]
{rank 0/64} MD step = 96600 step time: 00:00:00.140968 Performance: 65.932 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-08 01:20:14,359 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 151.88 -1772.1 16646 -18418 -18418 -0.00076195 -0.00083814 0.00034288 1.5864e+05 2024-05-08 01:20:28,840 INFO [main.py:798]
{rank 0/64} MD step = 96700 step time: 00:00:00.151782 Performance: 65.792 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 01:21:39,281 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 149.24 -2071.6 16357 -18429 -18429 -0.00064766 -0.00064766 0.00083814 1.588e+05 2024-05-08 01:21:56,510 INFO [main.py:798]
{rank 0/64} MD step = 96800 step time: 00:00:00.150563 Performance: 65.633 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 01:22:31,794 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 149.58 -2138.1 16394 -18532 -18532 -0.00085719 -0.00083814 0.00093339 1.5895e+05 2024-05-08 01:22:51,291 INFO [main.py:798]
{rank 0/64} MD step = 96900 step time: 00:00:00.142810 Performance: 65.560 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 01:23:37,672 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 149.62 -2049 16399 -18448 -18448 -0.00076195 -0.00068575 0.00057146 1.5911e+05 2024-05-08 01:23:52,473 INFO [main.py:798]
{rank 0/64} MD step = 97000 step time: 00:00:00.134416 Performance: 65.471 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 01:24:34,545 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 148.35 -2327.1 16260 -18587 -18587 -0.00086672 -0.00040002 0.00083814 1.593e+05 2024-05-08 01:24:50,621 INFO [main.py:798]
{rank 0/64} MD step = 97100 step time: 00:00:00.133758 Performance: 65.390 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 01:25:34,933 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 149.96 -1946.3 16435 -18382 -18382 -0.00068575 -0.00036193 0.00047622 1.5945e+05 2024-05-08 01:25:50,040 INFO [main.py:798]
{rank 0/64} MD step = 97200 step time: 00:00:00.149847 Performance: 65.306 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 01:26:23,287 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 146.84 -2371.4 16094 -18466 -18466 -0.00060956 -0.00036193 0.00087624 1.5963e+05 2024-05-08 01:26:48,447 INFO [main.py:798]
{rank 0/64} MD step = 97300 step time: 00:00:00.141895 Performance: 65.225 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 01:27:08,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97300 19460 151.27 -1785 16579 -18364 -18364 -0.00081909 -0.00064766 0.00051431 1.5979e+05 2024-05-08 01:27:23,428 INFO [main.py:798]
{rank 0/64} MD step = 97400 step time: 00:00:00.157612 Performance: 65.204 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 01:28:15,632 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 148.56 -2222.3 16282 -18505 -18505 -0.00054289 -0.00081909 0.00083814 1.5997e+05 2024-05-08 01:28:29,914 INFO [main.py:798]
{rank 0/64} MD step = 97500 step time: 00:00:00.132998 Performance: 65.103 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 01:29:10,827 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 149.93 -1786.4 16432 -18219 -18219 -0.00022858 -0.00053336 0.00064766 1.601e+05 2024-05-08 01:29:25,929 INFO [main.py:798]
{rank 0/64} MD step = 97600 step time: 00:00:00.162779 Performance: 65.029 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 01:29:49,263 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 150.43 -1958.6 16488 -18446 -18446 -0.00076195 -0.00072385 0.00087624 1.6025e+05 2024-05-08 01:30:04,718 INFO [main.py:798]
{rank 0/64} MD step = 97700 step time: 00:00:00.135035 Performance: 64.998 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 01:30:54,452 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 148.8 -2006 16308 -18314 -18314 -0.00053336 -0.00072385 0.0007429 1.6045e+05 2024-05-08 01:31:10,242 INFO [main.py:798]
{rank 0/64} MD step = 97800 step time: 00:00:00.142361 Performance: 64.901 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 01:31:47,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97800 19560 151.87 -1770.4 16645 -18415 -18415 -0.00095243 -0.00049527 0.00093339 1.606e+05 2024-05-08 01:32:05,171 INFO [main.py:798]
{rank 0/64} MD step = 97900 step time: 00:00:00.157908 Performance: 64.831 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 01:32:41,323 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 148.2 -2201.7 16243 -18445 -18445 -0.00038097 -0.00038097 0.00055241 1.6077e+05 2024-05-08 01:32:57,185 INFO [main.py:798]
{rank 0/64} MD step = 98000 step time: 00:00:00.144851 Performance: 64.768 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 01:33:16,952 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 147.68 -2017.5 16186 -18204 -18204 -0.00076195 -0.00060956 0.00059051 1.6089e+05 2024-05-08 01:33:41,167 INFO [main.py:798]
{rank 0/64} MD step = 98100 step time: 00:00:00.152947 Performance: 64.725 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 01:35:03,920 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 151.07 -1592.6 16557 -18150 -18150 -0.00041907 -0.00076195 0.00030478 1.6108e+05 2024-05-08 01:35:20,807 INFO [main.py:798]
{rank 0/64} MD step = 98200 step time: 00:00:00.150744 Performance: 64.546 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 01:35:58,560 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 150.44 -1752.4 16489 -18241 -18241 -0.00087624 -0.00057146 0.00080005 1.6125e+05 2024-05-08 01:36:15,413 INFO [main.py:798]
{rank 0/64} MD step = 98300 step time: 00:00:00.147026 Performance: 64.477 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 01:36:49,162 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 148.83 -2096.4 16312 -18408 -18408 -0.00087624 -0.00053336 0.00022858 1.614e+05 2024-05-08 01:37:03,752 INFO [main.py:798]
{rank 0/64} MD step = 98400 step time: 00:00:00.138557 Performance: 64.425 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 01:37:37,596 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 150.83 -1752.3 16531 -18283 -18283 -0.00030478 -0.00038097 0.00085719 1.6159e+05 2024-05-08 01:37:53,006 INFO [main.py:798]
{rank 0/64} MD step = 98500 step time: 00:00:00.142438 Performance: 64.370 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 01:38:27,300 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 149.11 -2023.4 16343 -18366 -18366 -0.00060003 -0.00060956 0.0007429 1.6176e+05 2024-05-08 01:39:05,646 INFO [main.py:798]
{rank 0/64} MD step = 98600 step time: 00:00:00.150187 Performance: 64.259 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 01:40:04,878 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 151.44 -1683 16598 -18281 -18281 -0.00032383 -0.00057146 0.00080005 1.6189e+05 2024-05-08 01:40:20,654 INFO [main.py:798]
{rank 0/64} MD step = 98700 step time: 00:00:00.154425 Performance: 64.143 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 01:41:03,504 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 151.95 -1527.8 16654 -18182 -18182 -0.00086672 -0.00053336 0.00057146 1.6215e+05 2024-05-08 01:41:21,203 INFO [main.py:798]
{rank 0/64} MD step = 98800 step time: 00:00:00.156066 Performance: 64.062 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 01:41:51,634 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 151.03 -1788.8 16553 -18342 -18342 -0.00055241 -0.00089529 0.00060956 1.623e+05 2024-05-08 01:42:05,991 INFO [main.py:798]
{rank 0/64} MD step = 98900 step time: 00:00:00.149712 Performance: 64.019 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 01:43:19,520 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 147.87 -2149.1 16207 -18356 -18356 -0.00019049 -0.00076195 0.00089529 1.6246e+05 2024-05-08 01:43:36,651 INFO [main.py:798]
{rank 0/64} MD step = 99000 step time: 00:00:00.164533 Performance: 63.867 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 01:44:20,239 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 150.32 -1891 16475 -18366 -18366 -0.00083814 -0.00024763 0.00068575 1.6257e+05 2024-05-08 01:44:53,759 INFO [main.py:798]
{rank 0/64} MD step = 99100 step time: 00:00:00.142837 Performance: 63.748 ns/day 0.376 hours/ns 3.689 steps/s 2024-05-08 01:45:42,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99100 19820 148.1 -2208.9 16232 -18441 -18441 -0.0007048 -0.00064766 0.00049527 1.6277e+05 2024-05-08 01:45:57,918 INFO [main.py:798]
{rank 0/64} MD step = 99200 step time: 00:00:00.156286 Performance: 63.660 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 01:46:31,402 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 148.33 -2345.3 16257 -18602 -18602 -0.00064766 -0.00057146 0.0010667 1.6295e+05 2024-05-08 01:46:46,212 INFO [main.py:798]
{rank 0/64} MD step = 99300 step time: 00:00:00.173550 Performance: 63.610 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 01:47:04,227 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 149.6 -1913.5 16397 -18310 -18310 -0.00091434 -0.0006667 0.00056194 1.6312e+05 2024-05-08 01:47:19,466 INFO [main.py:798]
{rank 0/64} MD step = 99400 step time: 00:00:00.147488 Performance: 63.596 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 01:47:28,217 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 148.89 -1796.8 16319 -18115 -18115 -0.00072385 -0.0006667 0.00095243 1.6328e+05 2024-05-08 01:47:42,695 INFO [main.py:798]
{rank 0/64} MD step = 99500 step time: 00:00:00.143673 Performance: 63.605 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 01:48:08,745 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 152.6 -1473.3 16725 -18199 -18199 -0.00068575 -0.00064766 0.00047622 1.6345e+05 2024-05-08 01:48:23,627 INFO [main.py:798]
{rank 0/64} MD step = 99600 step time: 00:00:00.162439 Performance: 63.573 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 01:48:49,693 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 149.37 -1935 16371 -18306 -18306 -0.00052384 -0.00060956 0.00053336 1.6358e+05 2024-05-08 01:49:06,441 INFO [main.py:798]
{rank 0/64} MD step = 99700 step time: 00:00:00.157039 Performance: 63.536 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 01:49:23,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99700 19940 151.97 -1725.7 16657 -18382 -18382 -0.00049527 -0.00041907 0.00016191 1.6374e+05 2024-05-08 01:49:38,523 INFO [main.py:798]
{rank 0/64} MD step = 99800 step time: 00:00:00.157335 Performance: 63.525 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 01:50:16,491 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 149.67 -1920.3 16404 -18325 -18325 -0.00053336 -0.00045717 0.00057146 1.6389e+05 2024-05-08 01:50:31,726 INFO [main.py:798]
{rank 0/64} MD step = 99900 step time: 00:00:00.143460 Performance: 63.464 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 01:51:16,262 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 148.04 -2090.3 16225 -18315 -18315 -0.00064766 -0.00068575 0.00083814 1.6402e+05 2024-05-08 01:51:33,435 INFO [main.py:798]
{rank 0/64} MD step = 100000 step time: 00:00:00.131246 Performance: 63.384 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 01:51:48,465 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 150.17 -2160.4 16458 -18619 -18619 -0.00041907 -0.0006667 0.00068575 1.6412e+05 2024-05-08 01:52:03,949 INFO [main.py:798]
{rank 0/64} MD step = 100100 step time: 00:00:00.164511 Performance: 63.376 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 01:52:28,832 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 148.88 -1823.3 16317 -18141 -18141 -0.00057146 -0.00089529 0.00083814 1.6434e+05 2024-05-08 01:52:49,175 INFO [main.py:798]
{rank 0/64} MD step = 100200 step time: 00:00:00.148248 Performance: 63.335 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 01:53:01,933 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 150.96 -1828.6 16546 -18374 -18374 -0.0006667 -0.00060956 0.00041907 1.6446e+05 2024-05-08 01:53:35,469 INFO [main.py:798]
{rank 0/64} MD step = 100300 step time: 00:00:00.140277 Performance: 63.291 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 01:55:17,293 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 149.68 -2067.1 16405 -18472 -18472 -0.00041907 -0.00099053 0.00041907 1.646e+05 2024-05-08 01:55:33,292 INFO [main.py:798]
{rank 0/64} MD step = 100400 step time: 00:00:00.142414 Performance: 63.082 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 01:55:57,049 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 149.29 -1902.7 16362 -18265 -18265 -0.00060956 -0.00064766 0.00091434 1.6482e+05 2024-05-08 01:56:14,194 INFO [main.py:798]
{rank 0/64} MD step = 100500 step time: 00:00:00.150820 Performance: 63.051 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 01:56:44,855 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 151.57 -1616.1 16613 -18229 -18229 -0.00049527 -0.00095243 0.00041907 1.6504e+05 2024-05-08 01:57:00,272 INFO [main.py:798]
{rank 0/64} MD step = 100600 step time: 00:00:00.142776 Performance: 63.009 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 01:57:23,916 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 148.66 -2042.4 16293 -18335 -18335 -0.00076195 -0.00066194 0.00022858 1.6512e+05 2024-05-08 01:57:39,826 INFO [main.py:798]
{rank 0/64} MD step = 100700 step time: 00:00:00.145640 Performance: 62.981 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 01:57:50,692 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 151.09 -1834.1 16560 -18394 -18394 -0.00083814 -0.00049527 9.5243e-05 1.6532e+05 2024-05-08 01:58:05,094 INFO [main.py:798]
{rank 0/64} MD step = 100800 step time: 00:00:00.140017 Performance: 62.986 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 01:58:41,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100800 20160 149.77 -1935.1 16415 -18350 -18350 -0.00085719 -0.00072385 0.00059051 1.6548e+05 2024-05-08 01:58:57,204 INFO [main.py:798]
{rank 0/64} MD step = 100900 step time: 00:00:00.156824 Performance: 62.930 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 01:59:31,885 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 150.49 -1880.8 16494 -18375 -18375 -0.00030478 -0.00024763 0.00064766 1.6563e+05 2024-05-08 01:59:47,046 INFO [main.py:798]
{rank 0/64} MD step = 101000 step time: 00:00:00.155157 Performance: 62.879 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 02:00:03,941 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 149.11 -2140.3 16342 -18483 -18483 -0.00045717 -0.00028573 0.00089529 1.6581e+05 2024-05-08 02:00:21,873 INFO [main.py:798]
{rank 0/64} MD step = 101100 step time: 00:00:00.154214 Performance: 62.862 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 02:00:45,985 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 151.37 -1776.2 16591 -18367 -18367 -0.00080005 -0.000781 0.00038097 1.66e+05 2024-05-08 02:01:00,965 INFO [main.py:798]
{rank 0/64} MD step = 101200 step time: 00:00:00.171552 Performance: 62.836 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 02:01:16,874 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 149.21 -2210.3 16353 -18564 -18564 -0.00076195 -0.00020954 0.00076195 1.6616e+05 2024-05-08 02:01:33,130 INFO [main.py:798]
{rank 0/64} MD step = 101300 step time: 00:00:00.155539 Performance: 62.826 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 02:03:24,164 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 150.13 -2110 16454 -18564 -18564 -0.0010286 -0.00086195 0.00062861 1.6626e+05 2024-05-08 02:03:41,766 INFO [main.py:798]
{rank 0/64} MD step = 101400 step time: 00:00:00.145760 Performance: 62.599 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 02:05:23,039 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 151.36 -1866.3 16589 -18456 -18456 -0.00089529 -0.00087624 0.00057146 1.6642e+05 2024-05-08 02:05:38,582 INFO [main.py:798]
{rank 0/64} MD step = 101500 step time: 00:00:00.139893 Performance: 62.400 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 02:06:15,007 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 147.11 -2451.8 16123 -18575 -18575 -0.00030478 -0.00068575 0.00041431 1.6662e+05 2024-05-08 02:06:30,624 INFO [main.py:798]
{rank 0/64} MD step = 101600 step time: 00:00:00.150866 Performance: 62.346 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 02:06:48,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101600 20320 150.09 -2058.6 16450 -18508 -18508 -0.00089529 -0.00034764 0.00056194 1.6677e+05 2024-05-08 02:07:03,376 INFO [main.py:798]
{rank 0/64} MD step = 101700 step time: 00:00:00.158332 Performance: 62.335 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 02:08:32,983 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 149.16 -2081.2 16348 -18429 -18429 -0.0007048 -0.00057146 0.00045717 1.6699e+05 2024-05-08 02:08:48,955 INFO [main.py:798]
{rank 0/64} MD step = 101800 step time: 00:00:00.153571 Performance: 62.163 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 02:09:49,196 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 152.37 -1732.5 16700 -18432 -18432 -0.00085719 -0.00076195 0.00019049 1.6718e+05 2024-05-08 02:10:08,988 INFO [main.py:798]
{rank 0/64} MD step = 101900 step time: 00:00:00.150134 Performance: 62.049 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 02:11:00,278 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 150.45 -2003.1 16489 -18492 -18492 -0.00076195 -0.00059051 0.00080005 1.6736e+05 2024-05-08 02:11:22,387 INFO [main.py:798]
{rank 0/64} MD step = 102000 step time: 00:00:00.159748 Performance: 61.950 ns/day 0.387 hours/ns 3.585 steps/s 2024-05-08 02:12:14,606 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 149.85 -1918.8 16424 -18343 -18343 -0.00071433 -0.00080005 0.00038097 1.6747e+05 2024-05-08 02:12:29,774 INFO [main.py:798]
{rank 0/64} MD step = 102100 step time: 00:00:00.138699 Performance: 61.864 ns/day 0.388 hours/ns 3.580 steps/s 2024-05-08 02:12:52,352 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 151.8 -1808.8 16637 -18446 -18446 -0.00085719 -0.00052384 0.00026668 1.6765e+05 2024-05-08 02:13:08,865 INFO [main.py:798]
{rank 0/64} MD step = 102200 step time: 00:00:00.142353 Performance: 61.840 ns/day 0.388 hours/ns 3.579 steps/s 2024-05-08 02:14:00,139 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 150.59 -1910 16505 -18415 -18415 -0.00071433 -0.00072385 0.00055241 1.6778e+05 2024-05-08 02:14:15,612 INFO [main.py:798]
{rank 0/64} MD step = 102300 step time: 00:00:00.148704 Performance: 61.756 ns/day 0.389 hours/ns 3.574 steps/s 2024-05-08 02:14:39,655 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 152.33 -1706.1 16696 -18402 -18402 -0.00030478 -0.00057146 0.00054289 1.6796e+05 2024-05-08 02:14:55,304 INFO [main.py:798]
{rank 0/64} MD step = 102400 step time: 00:00:00.148233 Performance: 61.731 ns/day 0.389 hours/ns 3.572 steps/s 2024-05-08 02:15:47,145 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 149.21 -1801.6 16354 -18156 -18156 -0.00038097 -0.00055241 0.00049527 1.6809e+05 2024-05-08 02:16:02,196 INFO [main.py:798]
{rank 0/64} MD step = 102500 step time: 00:00:00.140491 Performance: 61.647 ns/day 0.389 hours/ns 3.568 steps/s 2024-05-08 02:16:44,124 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 151.61 -1462.7 16617 -18080 -18080 -0.00087624 -0.00050479 0.00052384 1.6828e+05 2024-05-08 02:16:58,750 INFO [main.py:798]
{rank 0/64} MD step = 102600 step time: 00:00:00.147008 Performance: 61.586 ns/day 0.390 hours/ns 3.564 steps/s 2024-05-08 02:17:31,876 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 148.65 -1842.9 16293 -18135 -18135 -0.0007429 -0.00091434 -0.00038097 1.6845e+05 2024-05-08 02:17:48,066 INFO [main.py:798]
{rank 0/64} MD step = 102700 step time: 00:00:00.138546 Performance: 61.541 ns/day 0.390 hours/ns 3.561 steps/s 2024-05-08 02:18:08,218 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 150.94 -1693.4 16544 -18237 -18237 -0.00049527 -0.00060956 0.00034288 1.6862e+05 2024-05-08 02:18:26,420 INFO [main.py:798]
{rank 0/64} MD step = 102800 step time: 00:00:00.158249 Performance: 61.519 ns/day 0.390 hours/ns 3.560 steps/s 2024-05-08 02:19:01,539 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 150.69 -1742.2 16516 -18258 -18258 -0.00064766 -0.0007429 0.00041907 1.6876e+05 2024-05-08 02:19:28,654 INFO [main.py:798]
{rank 0/64} MD step = 102900 step time: 00:00:00.131985 Performance: 61.446 ns/day 0.391 hours/ns 3.556 steps/s 2024-05-08 02:19:54,666 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 147.63 -2121.8 16181 -18303 -18303 -0.00089529 -0.00045717 -0.00049527 1.6895e+05 2024-05-08 02:20:09,386 INFO [main.py:798]
{rank 0/64} MD step = 103000 step time: 00:00:00.138784 Performance: 61.419 ns/day 0.391 hours/ns 3.554 steps/s 2024-05-08 02:20:56,613 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 150.24 -1939.1 16467 -18406 -18406 -0.0003524 -0.00028573 0.00053336 1.691e+05 2024-05-08 02:21:14,099 INFO [main.py:798]
{rank 0/64} MD step = 103100 step time: 00:00:00.154267 Performance: 61.342 ns/day 0.391 hours/ns 3.550 steps/s 2024-05-08 02:22:26,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103100 20620 150.41 -2030.7 16485 -18515 -18515 -0.00089529 -0.00089529 0.00038097 1.6921e+05 2024-05-08 02:22:43,509 INFO [main.py:798]
{rank 0/64} MD step = 103200 step time: 00:00:00.161337 Performance: 61.213 ns/day 0.392 hours/ns 3.542 steps/s 2024-05-08 02:23:11,239 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 150.74 -1952.5 16522 -18474 -18474 -0.00086672 -0.00064766 0.00034288 1.6939e+05 2024-05-08 02:23:26,703 INFO [main.py:798]
{rank 0/64} MD step = 103300 step time: 00:00:00.143444 Performance: 61.182 ns/day 0.392 hours/ns 3.541 steps/s 2024-05-08 02:23:48,700 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 149.5 -1847.5 16386 -18233 -18233 -0.00072385 -0.00030478 0.00059051 1.6959e+05 2024-05-08 02:24:12,865 INFO [main.py:798]
{rank 0/64} MD step = 103400 step time: 00:00:00.157019 Performance: 61.144 ns/day 0.393 hours/ns 3.538 steps/s 2024-05-08 02:24:28,584 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 149.38 -1897.3 16372 -18270 -18270 -0.00090481 -0.00083814 0.00019049 1.697e+05 2024-05-08 02:24:43,203 INFO [main.py:798]
{rank 0/64} MD step = 103500 step time: 00:00:00.155544 Performance: 61.140 ns/day 0.393 hours/ns 3.538 steps/s 2024-05-08 02:24:50,022 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 148.97 -2105.8 16328 -18433 -18433 -0.0006667 -0.0007048 0.00068575 1.6983e+05 2024-05-08 02:25:07,965 INFO [main.py:798]
{rank 0/64} MD step = 103600 step time: 00:00:00.155525 Performance: 61.147 ns/day 0.392 hours/ns 3.539 steps/s 2024-05-08 02:25:14,657 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 149.94 -2008 16434 -18442 -18442 -0.00059051 -0.00038097 0.00087624 1.7004e+05 2024-05-08 02:25:29,932 INFO [main.py:798]
{rank 0/64} MD step = 103700 step time: 00:00:00.155424 Performance: 61.160 ns/day 0.392 hours/ns 3.539 steps/s 2024-05-08 02:25:40,977 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 149.92 -2077.1 16431 -18508 -18508 -0.00085719 -0.00069528 0.00081909 1.702e+05 2024-05-08 02:25:56,388 INFO [main.py:798]
{rank 0/64} MD step = 103800 step time: 00:00:00.158562 Performance: 61.164 ns/day 0.392 hours/ns 3.540 steps/s 2024-05-08 02:26:11,258 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 150.29 -1956 16472 -18428 -18428 -0.00038097 -0.00064766 0.00060956 1.7041e+05 2024-05-08 02:26:25,383 INFO [main.py:798]
{rank 0/64} MD step = 103900 step time: 00:00:00.151087 Performance: 61.163 ns/day 0.392 hours/ns 3.539 steps/s 2024-05-08 02:26:46,149 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 149.8 -1990.1 16419 -18409 -18409 -0.00064766 -0.00072385 0.00055241 1.7051e+05 2024-05-08 02:27:01,926 INFO [main.py:798]
{rank 0/64} MD step = 104000 step time: 00:00:00.158351 Performance: 61.145 ns/day 0.393 hours/ns 3.538 steps/s 2024-05-08 02:27:44,931 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 150.25 -2114.9 16467 -18582 -18582 -0.00083814 -0.00064766 0.00057146 1.7069e+05 2024-05-08 02:27:59,408 INFO [main.py:798]
{rank 0/64} MD step = 104100 step time: 00:00:00.146747 Performance: 61.085 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 02:28:13,951 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 151.11 -1912 16561 -18473 -18473 -0.00057146 -0.00059527 0.00071433 1.7082e+05 2024-05-08 02:28:28,621 INFO [main.py:798]
{rank 0/64} MD step = 104200 step time: 00:00:00.157493 Performance: 61.083 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 02:28:40,143 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 149.29 -2041.3 16362 -18404 -18404 -0.00051431 -0.00083814 0.00049527 1.7097e+05 2024-05-08 02:29:00,843 INFO [main.py:798]
{rank 0/64} MD step = 104300 step time: 00:00:00.158217 Performance: 61.075 ns/day 0.393 hours/ns 3.534 steps/s 2024-05-08 02:29:11,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104300 20860 151.02 -1725.2 16552 -18277 -18277 -0.00069528 -0.00064766 0.00047622 1.7118e+05 2024-05-08 02:29:28,011 INFO [main.py:798]
{rank 0/64} MD step = 104400 step time: 00:00:00.154684 Performance: 61.077 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 02:29:33,712 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 150.97 -1686 16547 -18233 -18233 -0.00062861 -0.00080005 0.00038097 1.7133e+05 2024-05-08 02:29:49,160 INFO [main.py:798]
{rank 0/64} MD step = 104500 step time: 00:00:00.158813 Performance: 61.092 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 02:29:56,898 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 149.17 -2272.4 16350 -18622 -18622 -0.00045717 -0.00036193 0.00047622 1.7146e+05 2024-05-08 02:30:11,848 INFO [main.py:798]
{rank 0/64} MD step = 104600 step time: 00:00:00.137929 Performance: 61.103 ns/day 0.393 hours/ns 3.536 steps/s 2024-05-08 02:30:25,886 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 149.65 -2174 16402 -18576 -18576 -0.00098101 -0.00041907 0.00072385 1.7161e+05 2024-05-08 02:30:41,532 INFO [main.py:798]
{rank 0/64} MD step = 104700 step time: 00:00:00.137506 Performance: 61.100 ns/day 0.393 hours/ns 3.536 steps/s 2024-05-08 02:31:00,494 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 148.27 -2231.5 16251 -18482 -18482 -0.00068575 -0.00038097 0.00083814 1.7182e+05 2024-05-08 02:31:14,602 INFO [main.py:798]
{rank 0/64} MD step = 104800 step time: 00:00:00.153569 Performance: 61.090 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 02:31:31,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104800 20960 149.21 -2379.7 16353 -18733 -18733 -0.00049527 -0.00034288 0.00089529 1.72e+05 2024-05-08 02:31:45,731 INFO [main.py:798]
{rank 0/64} MD step = 104900 step time: 00:00:00.150144 Performance: 61.085 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 02:32:05,935 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 149.12 -2237.2 16344 -18581 -18581 -0.00057146 -0.00060956 0.00032383 1.7219e+05 2024-05-08 02:32:20,145 INFO [main.py:798]
{rank 0/64} MD step = 105000 step time: 00:00:00.139864 Performance: 61.072 ns/day 0.393 hours/ns 3.534 steps/s 2024-05-08 02:32:41,212 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 148.03 -2343.5 16224 -18568 -18568 -0.00069528 -0.00036193 0.00087624 1.7236e+05 2024-05-08 02:32:55,866 INFO [main.py:798]
{rank 0/64} MD step = 105100 step time: 00:00:00.145403 Performance: 61.057 ns/day 0.393 hours/ns 3.533 steps/s 2024-05-08 02:33:07,616 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 149.11 -2114.9 16342 -18457 -18457 -0.00072385 -0.000781 0.00085719 1.725e+05 2024-05-08 02:33:22,796 INFO [main.py:798]
{rank 0/64} MD step = 105200 step time: 00:00:00.139943 Performance: 61.060 ns/day 0.393 hours/ns 3.534 steps/s 2024-05-08 02:33:34,338 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 147.57 -2259.8 16174 -18434 -18434 -0.00046669 -0.00060956 0.00048574 1.7263e+05 2024-05-08 02:33:49,762 INFO [main.py:798]
{rank 0/64} MD step = 105300 step time: 00:00:00.153209 Performance: 61.062 ns/day 0.393 hours/ns 3.534 steps/s 2024-05-08 02:34:04,388 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 150.72 -1674.7 16519 -18194 -18194 -0.00060956 -0.00053336 0.00060956 1.7279e+05 2024-05-08 02:34:20,186 INFO [main.py:798]
{rank 0/64} MD step = 105400 step time: 00:00:00.155045 Performance: 61.058 ns/day 0.393 hours/ns 3.533 steps/s 2024-05-08 02:34:31,492 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 148.89 -2104.7 16318 -18423 -18423 -0.00053336 -0.00057146 0.00045717 1.7293e+05 2024-05-08 02:34:49,725 INFO [main.py:798]
{rank 0/64} MD step = 105500 step time: 00:00:00.167935 Performance: 61.055 ns/day 0.393 hours/ns 3.533 steps/s 2024-05-08 02:35:51,154 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 149.36 -1968 16370 -18339 -18339 -0.00026668 -0.00049527 0.00068575 1.7308e+05 2024-05-08 02:36:06,770 INFO [main.py:798]
{rank 0/64} MD step = 105600 step time: 00:00:00.152473 Performance: 60.956 ns/day 0.394 hours/ns 3.528 steps/s 2024-05-08 02:36:24,233 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 151.28 -2133.3 16580 -18713 -18713 -0.0006667 -0.00049527 0.00083814 1.7325e+05 2024-05-08 02:36:39,536 INFO [main.py:798]
{rank 0/64} MD step = 105700 step time: 00:00:00.151585 Performance: 60.947 ns/day 0.394 hours/ns 3.527 steps/s 2024-05-08 02:36:58,401 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 151.51 -1787 16606 -18393 -18393 -0.00083814 -0.00099053 0.00049527 1.7345e+05 2024-05-08 02:37:13,288 INFO [main.py:798]
{rank 0/64} MD step = 105800 step time: 00:00:00.153129 Performance: 60.936 ns/day 0.394 hours/ns 3.526 steps/s 2024-05-08 02:38:12,277 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 151.22 -1948.8 16573 -18522 -18522 -0.00049527 -0.00068575 0.00064766 1.7359e+05 2024-05-08 02:38:27,229 INFO [main.py:798]
{rank 0/64} MD step = 105900 step time: 00:00:00.161891 Performance: 60.844 ns/day 0.394 hours/ns 3.521 steps/s 2024-05-08 02:39:01,500 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 151.81 -1727 16639 -18366 -18366 -0.00059051 -0.00062861 0.00083814 1.7375e+05 2024-05-08 02:39:15,830 INFO [main.py:798]
{rank 0/64} MD step = 106000 step time: 00:00:00.158284 Performance: 60.803 ns/day 0.395 hours/ns 3.519 steps/s 2024-05-08 02:39:52,891 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 152.03 -1730.9 16662 -18393 -18393 -0.0007429 -0.00057146 0.00064766 1.7396e+05 2024-05-08 02:40:08,166 INFO [main.py:798]
{rank 0/64} MD step = 106100 step time: 00:00:00.155995 Performance: 60.755 ns/day 0.395 hours/ns 3.516 steps/s 2024-05-08 02:40:41,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106100 21220 150.37 -1948.6 16480 -18429 -18429 -0.00073337 -0.00045717 0.00030478 1.741e+05 2024-05-08 02:40:56,567 INFO [main.py:798]
{rank 0/64} MD step = 106200 step time: 00:00:00.149618 Performance: 60.715 ns/day 0.395 hours/ns 3.514 steps/s 2024-05-08 02:41:59,796 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 150.5 -1814.1 16495 -18309 -18309 -0.00049527 -0.00045717 0.00068575 1.7425e+05 2024-05-08 02:42:14,646 INFO [main.py:798]
{rank 0/64} MD step = 106300 step time: 00:00:00.140639 Performance: 60.615 ns/day 0.396 hours/ns 3.508 steps/s 2024-05-08 02:42:43,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106300 21260 149.64 -2088.6 16401 -18489 -18489 -0.00072385 -0.0007429 0.0007429 1.7442e+05 2024-05-08 02:43:20,843 INFO [main.py:798]
{rank 0/64} MD step = 106400 step time: 00:00:00.143833 Performance: 60.540 ns/day 0.396 hours/ns 3.503 steps/s 2024-05-08 02:44:01,016 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 150.42 -1877.6 16487 -18364 -18364 -0.00089529 -0.00030478 0.00051431 1.7457e+05 2024-05-08 02:44:18,523 INFO [main.py:798]
{rank 0/64} MD step = 106500 step time: 00:00:00.146850 Performance: 60.482 ns/day 0.397 hours/ns 3.500 steps/s 2024-05-08 02:44:56,236 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 150.68 -2070.7 16515 -18586 -18586 -0.0007429 -0.00076195 0.00041907 1.7477e+05 2024-05-08 02:45:15,959 INFO [main.py:798]
{rank 0/64} MD step = 106600 step time: 00:00:00.139972 Performance: 60.425 ns/day 0.397 hours/ns 3.497 steps/s 2024-05-08 02:46:00,376 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 149.05 -2163.2 16336 -18499 -18499 -0.00083814 -0.00081909 0.00072385 1.7492e+05 2024-05-08 02:46:16,910 INFO [main.py:798]
{rank 0/64} MD step = 106700 step time: 00:00:00.153854 Performance: 60.361 ns/day 0.398 hours/ns 3.493 steps/s 2024-05-08 02:47:05,997 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 149.32 -2178.7 16365 -18544 -18544 -0.00091434 -0.00053336 0.00080005 1.7509e+05 2024-05-08 02:47:25,223 INFO [main.py:798]
{rank 0/64} MD step = 106800 step time: 00:00:00.153411 Performance: 60.282 ns/day 0.398 hours/ns 3.489 steps/s 2024-05-08 02:48:42,431 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 150.18 -2242.1 16460 -18702 -18702 -0.00038097 -0.00057146 0.0006667 1.7523e+05 2024-05-08 02:49:03,165 INFO [main.py:798]
{rank 0/64} MD step = 106900 step time: 00:00:00.161544 Performance: 60.146 ns/day 0.399 hours/ns 3.481 steps/s 2024-05-08 02:49:41,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106900 21380 149.37 -2154.9 16372 -18526 -18526 -0.00087148 -0.00067623 0.00045717 1.7539e+05 2024-05-08 02:49:58,700 INFO [main.py:798]
{rank 0/64} MD step = 107000 step time: 00:00:00.150706 Performance: 60.094 ns/day 0.399 hours/ns 3.478 steps/s 2024-05-08 02:50:44,842 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 150.73 -2004.1 16520 -18524 -18524 -0.00072385 -0.00041907 0.0006667 1.7557e+05 2024-05-08 02:51:00,426 INFO [main.py:798]
{rank 0/64} MD step = 107100 step time: 00:00:00.151657 Performance: 60.030 ns/day 0.400 hours/ns 3.474 steps/s 2024-05-08 02:51:38,798 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 148.98 -2210.8 16328 -18539 -18539 -0.00080005 -0.00026668 0.00022858 1.7575e+05 2024-05-08 02:51:53,967 INFO [main.py:798]
{rank 0/64} MD step = 107200 step time: 00:00:00.157685 Performance: 59.982 ns/day 0.400 hours/ns 3.471 steps/s 2024-05-08 02:52:38,073 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 149.68 -2007.1 16405 -18412 -18412 -0.00060003 -0.00047622 0.00038097 1.7589e+05 2024-05-08 02:52:54,265 INFO [main.py:798]
{rank 0/64} MD step = 107300 step time: 00:00:00.158865 Performance: 59.921 ns/day 0.401 hours/ns 3.468 steps/s 2024-05-08 02:54:02,786 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 149.59 -2192.3 16395 -18588 -18588 -0.00024763 -0.00076195 0.00095243 1.7606e+05 2024-05-08 02:54:17,624 INFO [main.py:798]
{rank 0/64} MD step = 107400 step time: 00:00:00.141860 Performance: 59.815 ns/day 0.401 hours/ns 3.462 steps/s 2024-05-08 02:54:40,167 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 148.41 -2209.5 16266 -18475 -18475 -0.00061908 -0.00083814 0.00041907 1.7619e+05 2024-05-08 02:54:55,481 INFO [main.py:798]
{rank 0/64} MD step = 107500 step time: 00:00:00.157957 Performance: 59.798 ns/day 0.401 hours/ns 3.461 steps/s 2024-05-08 02:55:10,953 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 151 -2093.9 16550 -18644 -18644 -0.00047622 -0.0007048 0.00060956 1.7636e+05 2024-05-08 02:55:26,023 INFO [main.py:798]
{rank 0/64} MD step = 107600 step time: 00:00:00.143788 Performance: 59.795 ns/day 0.401 hours/ns 3.460 steps/s 2024-05-08 02:55:36,717 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 149.1 -2091.7 16341 -18433 -18433 -0.00064766 -0.00022858 0.00057146 1.7652e+05 2024-05-08 02:55:52,763 INFO [main.py:798]
{rank 0/64} MD step = 107700 step time: 00:00:00.149804 Performance: 59.799 ns/day 0.401 hours/ns 3.461 steps/s 2024-05-08 02:56:05,421 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 148.77 -2096.9 16306 -18403 -18403 -0.00076195 -0.00045717 0.00060956 1.7665e+05 2024-05-08 02:56:21,848 INFO [main.py:798]
{rank 0/64} MD step = 107800 step time: 00:00:00.159536 Performance: 59.799 ns/day 0.401 hours/ns 3.461 steps/s 2024-05-08 02:56:48,464 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 149.54 -1983 16390 -18373 -18373 -0.00060956 -0.00034288 0.0007048 1.768e+05 2024-05-08 02:57:04,449 INFO [main.py:798]
{rank 0/64} MD step = 107900 step time: 00:00:00.132803 Performance: 59.772 ns/day 0.402 hours/ns 3.459 steps/s 2024-05-08 02:58:54,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107900 21580 149.67 -2010.3 16404 -18414 -18414 -0.00047622 -0.00068575 -0.00026668 1.77e+05 2024-05-08 02:59:11,556 INFO [main.py:798]
{rank 0/64} MD step = 108000 step time: 00:00:00.155998 Performance: 59.585 ns/day 0.403 hours/ns 3.448 steps/s 2024-05-08 03:00:26,536 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 151.15 -2012.6 16566 -18579 -18579 -0.00041907 -0.00024763 0.00026668 1.7717e+05 2024-05-08 03:00:43,713 INFO [main.py:798]
{rank 0/64} MD step = 108100 step time: 00:00:00.151738 Performance: 59.465 ns/day 0.404 hours/ns 3.441 steps/s 2024-05-08 03:01:30,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108100 21620 150.16 -1946.6 16458 -18404 -18404 -0.00081909 -0.00043812 0.00059051 1.7732e+05 2024-05-08 03:02:11,372 INFO [main.py:798]
{rank 0/64} MD step = 108200 step time: 00:00:00.150193 Performance: 59.355 ns/day 0.404 hours/ns 3.435 steps/s 2024-05-08 03:03:23,391 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 148.95 -1777.2 16325 -18103 -18103 -0.00060003 -0.00085719 0.00083814 1.7753e+05 2024-05-08 03:03:42,329 INFO [main.py:798]
{rank 0/64} MD step = 108300 step time: 00:00:00.148147 Performance: 59.238 ns/day 0.405 hours/ns 3.428 steps/s 2024-05-08 03:04:49,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108300 21660 152.01 -1763.9 16661 -18425 -18425 -0.0004286 -0.0007048 0.00067623 1.7766e+05 2024-05-08 03:05:08,042 INFO [main.py:798]
{rank 0/64} MD step = 108400 step time: 00:00:00.154952 Performance: 59.133 ns/day 0.406 hours/ns 3.422 steps/s 2024-05-08 03:05:41,380 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 149.81 -1852.1 16419 -18271 -18271 -0.00097148 -0.00060956 0.00080005 1.7785e+05 2024-05-08 03:06:05,002 INFO [main.py:798]
{rank 0/64} MD step = 108500 step time: 00:00:00.158531 Performance: 59.081 ns/day 0.406 hours/ns 3.419 steps/s 2024-05-08 03:06:51,823 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 151.27 -1662.5 16579 -18242 -18242 -0.00089529 -0.00076195 0.00083814 1.7799e+05 2024-05-08 03:07:06,529 INFO [main.py:798]
{rank 0/64} MD step = 108600 step time: 00:00:00.133424 Performance: 59.021 ns/day 0.407 hours/ns 3.416 steps/s 2024-05-08 03:07:49,034 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 147.94 -2100.1 16215 -18315 -18315 -0.00059051 -0.00095243 0.00041907 1.7818e+05 2024-05-08 03:08:08,729 INFO [main.py:798]
{rank 0/64} MD step = 108700 step time: 00:00:00.135248 Performance: 58.960 ns/day 0.407 hours/ns 3.412 steps/s 2024-05-08 03:09:00,513 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 148.89 -2143.1 16319 -18462 -18462 -0.00036193 -0.0006667 0.00076195 1.7832e+05 2024-05-08 03:09:16,483 INFO [main.py:798]
{rank 0/64} MD step = 108800 step time: 00:00:00.147940 Performance: 58.889 ns/day 0.408 hours/ns 3.408 steps/s 2024-05-08 03:09:53,367 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 149.05 -2164.5 16336 -18500 -18500 -0.0007048 -0.00051431 0.0007429 1.7853e+05 2024-05-08 03:10:12,994 INFO [main.py:798]
{rank 0/64} MD step = 108900 step time: 00:00:00.157058 Performance: 58.839 ns/day 0.408 hours/ns 3.405 steps/s 2024-05-08 03:11:05,416 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 151.75 -1909.2 16632 -18541 -18541 -0.00045717 -0.00040002 0.00057146 1.786e+05 2024-05-08 03:11:20,033 INFO [main.py:798]
{rank 0/64} MD step = 109000 step time: 00:00:00.145371 Performance: 58.770 ns/day 0.408 hours/ns 3.401 steps/s 2024-05-08 03:12:22,720 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 151.07 -2031.1 16557 -18588 -18588 -0.00083814 -0.00057146 0.00061908 1.7876e+05 2024-05-08 03:12:37,856 INFO [main.py:798]
{rank 0/64} MD step = 109100 step time: 00:00:00.157831 Performance: 58.681 ns/day 0.409 hours/ns 3.396 steps/s 2024-05-08 03:13:08,829 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 149.62 -1844.1 16398 -18243 -18243 -0.00068575 -0.00030478 0.00057146 1.7895e+05 2024-05-08 03:13:27,199 INFO [main.py:798]
{rank 0/64} MD step = 109200 step time: 00:00:00.145784 Performance: 58.645 ns/day 0.409 hours/ns 3.394 steps/s 2024-05-08 03:14:26,940 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 150.12 -1821.6 16454 -18275 -18275 -0.00060956 -0.00087624 0.00081909 1.7908e+05 2024-05-08 03:14:43,749 INFO [main.py:798]
{rank 0/64} MD step = 109300 step time: 00:00:00.148429 Performance: 58.559 ns/day 0.410 hours/ns 3.389 steps/s 2024-05-08 03:15:59,477 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 151.64 -1621.2 16620 -18241 -18241 -0.00045717 -0.00034288 0.0007048 1.7924e+05 2024-05-08 03:16:14,534 INFO [main.py:798]
{rank 0/64} MD step = 109400 step time: 00:00:00.155526 Performance: 58.448 ns/day 0.411 hours/ns 3.382 steps/s 2024-05-08 03:17:31,726 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 150.91 -1823.4 16540 -18363 -18363 -0.0007048 -0.00067623 0.00041907 1.7941e+05 2024-05-08 03:17:47,829 INFO [main.py:798]
{rank 0/64} MD step = 109500 step time: 00:00:00.159325 Performance: 58.334 ns/day 0.411 hours/ns 3.376 steps/s 2024-05-08 03:18:43,391 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 150.33 -1863.2 16476 -18340 -18340 -0.00068575 -0.00026668 0.00045717 1.7961e+05 2024-05-08 03:19:06,180 INFO [main.py:798]
{rank 0/64} MD step = 109600 step time: 00:00:00.167654 Performance: 58.246 ns/day 0.412 hours/ns 3.371 steps/s 2024-05-08 03:20:02,033 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 149.4 -1968.5 16375 -18343 -18343 -0.00026668 -0.00057146 0.00060956 1.7969e+05 2024-05-08 03:20:17,620 INFO [main.py:798]
{rank 0/64} MD step = 109700 step time: 00:00:00.149097 Performance: 58.172 ns/day 0.413 hours/ns 3.366 steps/s 2024-05-08 03:20:26,728 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 150.08 -1962.8 16448 -18411 -18411 -0.00051431 -0.00057146 0.00049527 1.7988e+05 2024-05-08 03:20:41,849 INFO [main.py:798]
{rank 0/64} MD step = 109800 step time: 00:00:00.134704 Performance: 58.181 ns/day 0.413 hours/ns 3.367 steps/s 2024-05-08 03:22:37,026 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 151.63 -1720.1 16619 -18339 -18339 -0.00060956 -0.00060956 0.00049527 1.8005e+05 2024-05-08 03:23:07,308 INFO [main.py:798]
{rank 0/64} MD step = 109900 step time: 00:00:00.131990 Performance: 57.976 ns/day 0.414 hours/ns 3.355 steps/s 2024-05-08 03:23:31,769 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 149.19 -2019.3 16352 -18371 -18371 -0.00040002 -0.00083814 0.00091434 1.8016e+05 2024-05-08 03:24:01,732 INFO [main.py:798]
{rank 0/64} MD step = 110000 step time: 00:00:00.153675 Performance: 57.932 ns/day 0.414 hours/ns 3.353 steps/s 2024-05-08 03:24:55,801 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 147.98 -2072 16218 -18290 -18290 -0.00057146 -0.00038097 0.00091434 1.8031e+05 2024-05-08 03:25:10,495 INFO [main.py:798]
{rank 0/64} MD step = 110100 step time: 00:00:00.153820 Performance: 57.864 ns/day 0.415 hours/ns 3.349 steps/s 2024-05-08 03:25:47,473 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 150.28 -2005.4 16470 -18476 -18476 -0.00089529 -0.00047622 0.00072385 1.8048e+05 2024-05-08 03:26:14,672 INFO [main.py:798]
{rank 0/64} MD step = 110200 step time: 00:00:00.134561 Performance: 57.803 ns/day 0.415 hours/ns 3.345 steps/s 2024-05-08 03:27:25,393 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 149.49 -1978.2 16384 -18362 -18362 -0.00036193 -0.00060956 0.00058099 1.8065e+05 2024-05-08 03:27:40,359 INFO [main.py:798]
{rank 0/64} MD step = 110300 step time: 00:00:00.139161 Performance: 57.706 ns/day 0.416 hours/ns 3.339 steps/s 2024-05-08 03:28:17,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110300 22060 150.18 -2085.2 16460 -18545 -18545 -0.00083814 -0.00053336 0.0010286 1.8075e+05 2024-05-08 03:28:33,431 INFO [main.py:798]
{rank 0/64} MD step = 110400 step time: 00:00:00.151980 Performance: 57.665 ns/day 0.416 hours/ns 3.337 steps/s 2024-05-08 03:29:48,586 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 149.49 -2147.1 16384 -18531 -18531 -0.00034288 -0.00040002 0.00083814 1.8094e+05 2024-05-08 03:30:06,392 INFO [main.py:798]
{rank 0/64} MD step = 110500 step time: 00:00:00.140001 Performance: 57.556 ns/day 0.417 hours/ns 3.331 steps/s 2024-05-08 03:31:05,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110500 22100 149.42 -2071.4 16376 -18448 -18448 -0.00080005 -0.00026668 0.00045717 1.8113e+05 2024-05-08 03:31:21,259 INFO [main.py:798]
{rank 0/64} MD step = 110600 step time: 00:00:00.144654 Performance: 57.478 ns/day 0.418 hours/ns 3.326 steps/s 2024-05-08 03:32:23,657 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 151.22 -1810.2 16574 -18384 -18384 -0.00041907 -0.00093339 0.00049527 1.8127e+05 2024-05-08 03:32:39,024 INFO [main.py:798]
{rank 0/64} MD step = 110700 step time: 00:00:00.148671 Performance: 57.396 ns/day 0.418 hours/ns 3.322 steps/s 2024-05-08 03:33:18,068 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 148.3 -2213.3 16254 -18467 -18467 -0.00041907 -0.00041907 0.0007048 1.8144e+05 2024-05-08 03:33:49,158 INFO [main.py:798]
{rank 0/64} MD step = 110800 step time: 00:00:00.153699 Performance: 57.327 ns/day 0.419 hours/ns 3.318 steps/s 2024-05-08 03:34:36,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110800 22160 148.9 -1994.8 16320 -18315 -18315 -0.00055241 -0.00093339 0.00064766 1.8159e+05 2024-05-08 03:34:52,918 INFO [main.py:798]
{rank 0/64} MD step = 110900 step time: 00:00:00.149857 Performance: 57.270 ns/day 0.419 hours/ns 3.314 steps/s 2024-05-08 03:35:27,374 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 150.72 -1820.3 16519 -18339 -18339 -0.00095243 -0.00015239 0.00053336 1.8174e+05 2024-05-08 03:35:42,624 INFO [main.py:798]
{rank 0/64} MD step = 111000 step time: 00:00:00.154963 Performance: 57.236 ns/day 0.419 hours/ns 3.312 steps/s 2024-05-08 03:36:24,685 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 146.76 -2252.8 16085 -18338 -18338 -0.00087624 -0.00083814 0.00068575 1.8189e+05 2024-05-08 03:36:39,995 INFO [main.py:798]
{rank 0/64} MD step = 111100 step time: 00:00:00.160424 Performance: 57.190 ns/day 0.420 hours/ns 3.310 steps/s 2024-05-08 03:37:04,575 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 150.03 -1945 16443 -18388 -18388 -0.00068575 -0.00072385 0.0010286 1.82e+05 2024-05-08 03:37:48,951 INFO [main.py:798]
{rank 0/64} MD step = 111200 step time: 00:00:00.158553 Performance: 57.124 ns/day 0.420 hours/ns 3.306 steps/s 2024-05-08 03:38:37,803 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 149.88 -2242.3 16427 -18669 -18669 -0.00072385 -0.00051431 0.00049527 1.8215e+05 2024-05-08 03:38:54,266 INFO [main.py:798]
{rank 0/64} MD step = 111300 step time: 00:00:00.150593 Performance: 57.065 ns/day 0.421 hours/ns 3.302 steps/s 2024-05-08 03:39:41,833 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 150.47 -2001.3 16492 -18493 -18493 -0.00072385 -0.00034288 0.00053336 1.8237e+05 2024-05-08 03:39:56,705 INFO [main.py:798]
{rank 0/64} MD step = 111400 step time: 00:00:00.143590 Performance: 57.010 ns/day 0.421 hours/ns 3.299 steps/s 2024-05-08 03:40:53,584 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 149.66 -2292.9 16403 -18696 -18696 -0.00064766 -0.0006667 0.00019049 1.8254e+05 2024-05-08 03:41:09,168 INFO [main.py:798]
{rank 0/64} MD step = 111500 step time: 00:00:00.136819 Performance: 56.939 ns/day 0.422 hours/ns 3.295 steps/s 2024-05-08 03:42:02,973 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 149.07 -2125 16338 -18463 -18463 -0.0007429 -0.00049527 0.00087624 1.8275e+05 2024-05-08 03:42:19,617 INFO [main.py:798]
{rank 0/64} MD step = 111600 step time: 00:00:00.159296 Performance: 56.872 ns/day 0.422 hours/ns 3.291 steps/s 2024-05-08 03:43:03,175 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 148.2 -2307.6 16243 -18550 -18550 -0.00057146 -0.00080005 0.00045717 1.829e+05 2024-05-08 03:43:18,485 INFO [main.py:798]
{rank 0/64} MD step = 111700 step time: 00:00:00.152929 Performance: 56.824 ns/day 0.422 hours/ns 3.288 steps/s 2024-05-08 03:44:04,431 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 149.2 -2020.4 16353 -18373 -18373 -0.00061908 -0.00038097 0.00075242 1.8311e+05 2024-05-08 03:44:19,288 INFO [main.py:798]
{rank 0/64} MD step = 111800 step time: 00:00:00.147871 Performance: 56.773 ns/day 0.423 hours/ns 3.285 steps/s 2024-05-08 03:44:54,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111800 22360 149.39 -2002.1 16373 -18375 -18375 -0.00045717 -0.00038097 0.0006667 1.8327e+05 2024-05-08 03:45:13,849 INFO [main.py:798]
{rank 0/64} MD step = 111900 step time: 00:00:00.160942 Performance: 56.733 ns/day 0.423 hours/ns 3.283 steps/s 2024-05-08 03:46:01,530 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 151.37 -1782.5 16590 -18373 -18373 -0.00072385 -0.00049527 0.00038097 1.8343e+05 2024-05-08 03:46:17,421 INFO [main.py:798]
{rank 0/64} MD step = 112000 step time: 00:00:00.155536 Performance: 56.678 ns/day 0.423 hours/ns 3.280 steps/s 2024-05-08 03:47:52,959 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 147.75 -2293.7 16193 -18487 -18487 -0.00068575 -0.00057146 0.00097148 1.8356e+05 2024-05-08 03:48:10,141 INFO [main.py:798]
{rank 0/64} MD step = 112100 step time: 00:00:00.141096 Performance: 56.542 ns/day 0.424 hours/ns 3.272 steps/s 2024-05-08 03:48:44,674 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 149.47 -2128.3 16382 -18511 -18511 -0.00064766 -0.00080005 0.00059051 1.837e+05 2024-05-08 03:49:07,900 INFO [main.py:798]
{rank 0/64} MD step = 112200 step time: 00:00:00.145344 Performance: 56.497 ns/day 0.425 hours/ns 3.270 steps/s 2024-05-08 03:50:13,212 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 151.08 -1775.8 16559 -18335 -18335 -0.00081909 -0.00057146 0.00060003 1.839e+05 2024-05-08 03:50:32,314 INFO [main.py:798]
{rank 0/64} MD step = 112300 step time: 00:00:00.157694 Performance: 56.409 ns/day 0.425 hours/ns 3.264 steps/s 2024-05-08 03:51:17,089 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 152.04 -1372.1 16663 -18035 -18035 -0.00043812 -0.00062861 0.0006667 1.8406e+05 2024-05-08 03:51:33,025 INFO [main.py:798]
{rank 0/64} MD step = 112400 step time: 00:00:00.146798 Performance: 56.360 ns/day 0.426 hours/ns 3.262 steps/s 2024-05-08 03:52:35,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112400 22480 147.16 -2250.4 16128 -18379 -18379 -0.00034288 -0.00036193 0.00043812 1.842e+05 2024-05-08 03:52:55,998 INFO [main.py:798]
{rank 0/64} MD step = 112500 step time: 00:00:00.158625 Performance: 56.274 ns/day 0.426 hours/ns 3.257 steps/s 2024-05-08 03:53:39,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112500 22500 151.6 -1579.3 16615 -18195 -18195 -0.00049527 -0.00091434 0.0003143 1.8435e+05 2024-05-08 03:53:53,957 INFO [main.py:798]
{rank 0/64} MD step = 112600 step time: 00:00:00.146247 Performance: 56.230 ns/day 0.427 hours/ns 3.254 steps/s 2024-05-08 03:54:28,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112600 22520 150.92 -1692.4 16541 -18234 -18234 -0.00051431 -0.00057146 0.00053336 1.8445e+05 2024-05-08 03:55:03,459 INFO [main.py:798]
{rank 0/64} MD step = 112700 step time: 00:00:00.155820 Performance: 56.167 ns/day 0.427 hours/ns 3.250 steps/s 2024-05-08 03:55:59,622 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 151.54 -1564.5 16609 -18173 -18173 -0.00087624 -0.00083814 0.00047622 1.8462e+05 2024-05-08 03:56:14,285 INFO [main.py:798]
{rank 0/64} MD step = 112800 step time: 00:00:00.153490 Performance: 56.102 ns/day 0.428 hours/ns 3.247 steps/s 2024-05-08 03:56:56,578 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 149.02 -1989.4 16333 -18322 -18322 -0.00034288 -0.00053336 0.00059051 1.8476e+05 2024-05-08 03:57:12,228 INFO [main.py:798]
{rank 0/64} MD step = 112900 step time: 00:00:00.152962 Performance: 56.059 ns/day 0.428 hours/ns 3.244 steps/s 2024-05-08 03:58:16,234 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 152.45 -1439 16709 -18148 -18148 -0.00038097 -0.00038097 0.00040002 1.8495e+05 2024-05-08 03:58:33,075 INFO [main.py:798]
{rank 0/64} MD step = 113000 step time: 00:00:00.164953 Performance: 55.978 ns/day 0.429 hours/ns 3.239 steps/s 2024-05-08 03:59:40,187 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 150.01 -1885 16441 -18326 -18326 -0.00072385 -0.00060956 0.00055241 1.8506e+05 2024-05-08 03:59:55,763 INFO [main.py:798]
{rank 0/64} MD step = 113100 step time: 00:00:00.154971 Performance: 55.895 ns/day 0.429 hours/ns 3.235 steps/s 2024-05-08 04:00:38,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113100 22620 150.5 -2056.3 16495 -18551 -18551 -0.00053336 -0.00068575 0.00034288 1.852e+05 2024-05-08 04:00:54,676 INFO [main.py:798]
{rank 0/64} MD step = 113200 step time: 00:00:00.165947 Performance: 55.851 ns/day 0.430 hours/ns 3.232 steps/s 2024-05-08 04:01:12,312 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 148.14 -2311.6 16237 -18548 -18548 -0.00026668 -0.00060956 0.00040002 1.8536e+05 2024-05-08 04:01:35,949 INFO [main.py:798]
{rank 0/64} MD step = 113300 step time: 00:00:00.136458 Performance: 55.834 ns/day 0.430 hours/ns 3.231 steps/s 2024-05-08 04:02:08,750 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 148.82 -2160.1 16311 -18472 -18472 -0.00060956 -0.00097148 0.00053336 1.8553e+05 2024-05-08 04:02:23,860 INFO [main.py:798]
{rank 0/64} MD step = 113400 step time: 00:00:00.155442 Performance: 55.807 ns/day 0.430 hours/ns 3.230 steps/s 2024-05-08 04:03:08,514 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 151.23 -1877.5 16575 -18452 -18452 -0.00030478 -0.00051431 0.00057146 1.8562e+05 2024-05-08 04:03:40,569 INFO [main.py:798]
{rank 0/64} MD step = 113500 step time: 00:00:00.162780 Performance: 55.735 ns/day 0.431 hours/ns 3.225 steps/s 2024-05-08 04:04:22,343 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 151.73 -1712.7 16630 -18343 -18343 -0.00059051 -0.00053336 0.00083814 1.8577e+05 2024-05-08 04:04:37,981 INFO [main.py:798]
{rank 0/64} MD step = 113600 step time: 00:00:00.147761 Performance: 55.693 ns/day 0.431 hours/ns 3.223 steps/s 2024-05-08 04:04:57,013 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 152.19 -1611.6 16680 -18292 -18292 -0.00045717 -0.000781 0.00038097 1.8595e+05 2024-05-08 04:05:12,795 INFO [main.py:798]
{rank 0/64} MD step = 113700 step time: 00:00:00.160675 Performance: 55.687 ns/day 0.431 hours/ns 3.223 steps/s 2024-05-08 04:05:54,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113700 22740 151.37 -1838.1 16591 -18429 -18429 -0.00030478 -0.00068575 0.00080005 1.8611e+05 2024-05-08 04:06:09,123 INFO [main.py:798]
{rank 0/64} MD step = 113800 step time: 00:00:00.166515 Performance: 55.647 ns/day 0.431 hours/ns 3.220 steps/s 2024-05-08 04:06:33,025 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 149.45 -1954.8 16380 -18335 -18335 -0.00061908 -0.00088576 0.00076195 1.8631e+05 2024-05-08 04:07:05,879 INFO [main.py:798]
{rank 0/64} MD step = 113900 step time: 00:00:00.137629 Performance: 55.607 ns/day 0.432 hours/ns 3.218 steps/s 2024-05-08 04:07:57,331 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 149.71 -1790.4 16408 -18199 -18199 -0.00072385 -0.00048574 0.00049527 1.8649e+05 2024-05-08 04:08:16,447 INFO [main.py:798]
{rank 0/64} MD step = 114000 step time: 00:00:00.155944 Performance: 55.545 ns/day 0.432 hours/ns 3.214 steps/s 2024-05-08 04:08:39,160 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 151.54 -1822.1 16609 -18431 -18431 -0.00072385 -0.00099053 0.00054289 1.866e+05 2024-05-08 04:09:08,967 INFO [main.py:798]
{rank 0/64} MD step = 114100 step time: 00:00:00.144920 Performance: 55.511 ns/day 0.432 hours/ns 3.212 steps/s 2024-05-08 04:09:37,992 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 150.42 -1873.8 16487 -18360 -18360 -0.00060956 -0.00067623 0.00060956 1.8676e+05 2024-05-08 04:09:53,702 INFO [main.py:798]
{rank 0/64} MD step = 114200 step time: 00:00:00.156611 Performance: 55.490 ns/day 0.433 hours/ns 3.211 steps/s 2024-05-08 04:10:20,603 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 149.23 -2059.4 16356 -18416 -18416 -0.00049527 -0.0004286 0.00080957 1.8694e+05 2024-05-08 04:10:36,596 INFO [main.py:798]
{rank 0/64} MD step = 114300 step time: 00:00:00.155921 Performance: 55.472 ns/day 0.433 hours/ns 3.210 steps/s 2024-05-08 04:11:05,804 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 151.59 -1790.3 16614 -18404 -18404 -0.00062861 -0.00049527 0.00087624 1.8715e+05 2024-05-08 04:11:20,727 INFO [main.py:798]
{rank 0/64} MD step = 114400 step time: 00:00:00.156096 Performance: 55.451 ns/day 0.433 hours/ns 3.209 steps/s 2024-05-08 04:11:44,245 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 149.75 -2183.1 16413 -18596 -18596 -0.00072385 -0.00055241 0.00068575 1.8727e+05 2024-05-08 04:12:01,603 INFO [main.py:798]
{rank 0/64} MD step = 114500 step time: 00:00:00.159994 Performance: 55.436 ns/day 0.433 hours/ns 3.208 steps/s 2024-05-08 04:12:30,564 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 149.54 -1948.2 16390 -18339 -18339 -0.00069528 -0.0003905 0.00049527 1.8748e+05 2024-05-08 04:12:46,523 INFO [main.py:798]
{rank 0/64} MD step = 114600 step time: 00:00:00.162120 Performance: 55.415 ns/day 0.433 hours/ns 3.207 steps/s 2024-05-08 04:13:43,686 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 151.99 -1591 16659 -18250 -18250 -0.00091434 -0.00087624 0.0007048 1.8761e+05 2024-05-08 04:14:03,287 INFO [main.py:798]
{rank 0/64} MD step = 114700 step time: 00:00:00.151518 Performance: 55.345 ns/day 0.434 hours/ns 3.203 steps/s 2024-05-08 04:14:25,968 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 148.41 -2221.8 16266 -18487 -18487 -0.00072385 -0.00072385 0.00076195 1.8776e+05 2024-05-08 04:14:51,089 INFO [main.py:798]
{rank 0/64} MD step = 114800 step time: 00:00:00.164709 Performance: 55.319 ns/day 0.434 hours/ns 3.201 steps/s 2024-05-08 04:15:17,714 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 149.65 -2098.9 16402 -18501 -18501 -0.00072385 -0.00083814 0.00058099 1.8796e+05 2024-05-08 04:15:34,285 INFO [main.py:798]
{rank 0/64} MD step = 114900 step time: 00:00:00.142405 Performance: 55.301 ns/day 0.434 hours/ns 3.200 steps/s 2024-05-08 04:15:47,975 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 148.62 -2216.4 16289 -18505 -18505 -0.00068575 -0.00045717 0.00060956 1.8809e+05 2024-05-08 04:16:16,102 INFO [main.py:798]
{rank 0/64} MD step = 115000 step time: 00:00:00.152094 Performance: 55.284 ns/day 0.434 hours/ns 3.199 steps/s 2024-05-08 04:16:46,140 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 149.23 -2050.8 16356 -18407 -18407 -0.00059051 -0.00040955 0.00050479 1.8826e+05 2024-05-08 04:17:01,395 INFO [main.py:798]
{rank 0/64} MD step = 115100 step time: 00:00:00.148484 Performance: 55.263 ns/day 0.434 hours/ns 3.198 steps/s 2024-05-08 04:17:21,969 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 148.62 -2273.2 16289 -18562 -18562 -0.00083814 -0.00072385 0.00047622 1.8837e+05 2024-05-08 04:17:48,098 INFO [main.py:798]
{rank 0/64} MD step = 115200 step time: 00:00:00.154343 Performance: 55.239 ns/day 0.434 hours/ns 3.197 steps/s 2024-05-08 04:18:08,785 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 148.66 -2264.8 16293 -18558 -18558 -0.00045717 -0.00083814 0.0006667 1.8856e+05 2024-05-08 04:18:24,126 INFO [main.py:798]
{rank 0/64} MD step = 115300 step time: 00:00:00.159626 Performance: 55.232 ns/day 0.435 hours/ns 3.196 steps/s 2024-05-08 04:18:49,486 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 153.42 -1803.7 16815 -18619 -18619 -0.00055241 -0.00072385 0.00043812 1.8874e+05 2024-05-08 04:19:05,099 INFO [main.py:798]
{rank 0/64} MD step = 115400 step time: 00:00:00.142189 Performance: 55.217 ns/day 0.435 hours/ns 3.195 steps/s 2024-05-08 04:19:28,309 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 149.61 -2117.3 16398 -18515 -18515 -0.00038097 -0.00072385 0.00064766 1.8893e+05 2024-05-08 04:19:46,632 INFO [main.py:798]
{rank 0/64} MD step = 115500 step time: 00:00:00.151737 Performance: 55.201 ns/day 0.435 hours/ns 3.195 steps/s 2024-05-08 04:20:27,284 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 149.81 -2041.3 16419 -18460 -18460 -0.00041907 -0.00081909 0.00062861 1.8913e+05 2024-05-08 04:20:46,406 INFO [main.py:798]
{rank 0/64} MD step = 115600 step time: 00:00:00.157142 Performance: 55.158 ns/day 0.435 hours/ns 3.192 steps/s 2024-05-08 04:21:14,435 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 152.11 -1804.8 16672 -18477 -18477 -0.00060956 -0.00064766 0.00072385 1.8928e+05 2024-05-08 04:21:33,702 INFO [main.py:798]
{rank 0/64} MD step = 115700 step time: 00:00:00.140618 Performance: 55.134 ns/day 0.435 hours/ns 3.191 steps/s 2024-05-08 04:22:05,945 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 150.1 -2096.6 16451 -18548 -18548 -0.00026668 -0.0007048 0.00041907 1.8945e+05 2024-05-08 04:22:22,552 INFO [main.py:798]
{rank 0/64} MD step = 115800 step time: 00:00:00.150605 Performance: 55.107 ns/day 0.436 hours/ns 3.189 steps/s 2024-05-08 04:22:44,171 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 149.59 -2205.2 16395 -18600 -18600 -0.00037145 -0.00053336 0.00089529 1.8959e+05 2024-05-08 04:22:58,651 INFO [main.py:798]
{rank 0/64} MD step = 115900 step time: 00:00:00.150320 Performance: 55.100 ns/day 0.436 hours/ns 3.189 steps/s 2024-05-08 04:23:26,590 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 149.23 -2212.3 16355 -18568 -18568 -0.00040002 -0.0007048 0.00028573 1.8975e+05 2024-05-08 04:23:47,255 INFO [main.py:798]
{rank 0/64} MD step = 116000 step time: 00:00:00.153314 Performance: 55.074 ns/day 0.436 hours/ns 3.187 steps/s 2024-05-08 04:24:18,288 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 149.78 -2059.8 16416 -18476 -18476 -0.00053336 -0.00068575 0.00080005 1.8991e+05 2024-05-08 04:24:33,201 INFO [main.py:798]
{rank 0/64} MD step = 116100 step time: 00:00:00.159837 Performance: 55.052 ns/day 0.436 hours/ns 3.186 steps/s 2024-05-08 04:25:02,943 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 154.55 -1576 16939 -18515 -18515 -0.00083814 -0.00055241 0.00057146 1.9005e+05 2024-05-08 04:25:18,622 INFO [main.py:798]
{rank 0/64} MD step = 116200 step time: 00:00:00.158865 Performance: 55.031 ns/day 0.436 hours/ns 3.185 steps/s 2024-05-08 04:25:27,763 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 151.06 -1886.9 16556 -18443 -18443 -0.00059051 -0.00072385 0.00053336 1.9024e+05 2024-05-08 04:25:53,641 INFO [main.py:798]
{rank 0/64} MD step = 116300 step time: 00:00:00.156039 Performance: 55.025 ns/day 0.436 hours/ns 3.184 steps/s 2024-05-08 04:26:21,027 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 150.74 -2105.4 16521 -18626 -18626 -0.00080005 -0.00060956 0.00087624 1.904e+05 2024-05-08 04:26:38,255 INFO [main.py:798]
{rank 0/64} MD step = 116400 step time: 00:00:00.152047 Performance: 55.005 ns/day 0.436 hours/ns 3.183 steps/s 2024-05-08 04:26:58,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116400 23280 148.46 -2111.9 16271 -18383 -18383 -0.00075242 -0.0006667 0.00060956 1.9064e+05 2024-05-08 04:27:14,478 INFO [main.py:798]
{rank 0/64} MD step = 116500 step time: 00:00:00.149820 Performance: 54.998 ns/day 0.436 hours/ns 3.183 steps/s 2024-05-08 04:27:39,798 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 149.85 -2220.5 16423 -18644 -18644 -0.00068575 -0.00041907 0.00076195 1.9077e+05 2024-05-08 04:27:54,224 INFO [main.py:798]
{rank 0/64} MD step = 116600 step time: 00:00:00.144451 Performance: 54.986 ns/day 0.436 hours/ns 3.182 steps/s 2024-05-08 04:28:16,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116600 23320 148.5 -2076 16275 -18351 -18351 -0.00068575 -0.00024763 0.00060956 1.9097e+05 2024-05-08 04:28:32,398 INFO [main.py:798]
{rank 0/64} MD step = 116700 step time: 00:00:00.154229 Performance: 54.975 ns/day 0.437 hours/ns 3.181 steps/s 2024-05-08 04:28:53,466 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 149.38 -1981 16373 -18354 -18354 -0.00068575 -0.00076195 0.00053336 1.9108e+05 2024-05-08 04:29:08,564 INFO [main.py:798]
{rank 0/64} MD step = 116800 step time: 00:00:00.156563 Performance: 54.968 ns/day 0.437 hours/ns 3.181 steps/s 2024-05-08 04:29:27,627 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 150.33 -1946 16476 -18422 -18422 -0.00080005 -0.00076195 0.00083814 1.9122e+05 2024-05-08 04:29:43,749 INFO [main.py:798]
{rank 0/64} MD step = 116900 step time: 00:00:00.155034 Performance: 54.963 ns/day 0.437 hours/ns 3.181 steps/s 2024-05-08 04:29:56,689 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 149.97 -2029.4 16437 -18467 -18467 -0.00051431 -0.00072385 0.00032383 1.9137e+05 2024-05-08 04:30:12,370 INFO [main.py:798]
{rank 0/64} MD step = 117000 step time: 00:00:00.150268 Performance: 54.967 ns/day 0.437 hours/ns 3.181 steps/s 2024-05-08 04:30:30,222 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 147.3 -2282.5 16145 -18427 -18427 -0.00088576 -0.00057146 0.00064766 1.9154e+05 2024-05-08 04:30:47,502 INFO [main.py:798]
{rank 0/64} MD step = 117100 step time: 00:00:00.157407 Performance: 54.961 ns/day 0.437 hours/ns 3.181 steps/s 2024-05-08 04:31:11,320 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 148.55 -2203.7 16281 -18485 -18485 -0.00063813 -0.0007429 0.000781 1.917e+05 2024-05-08 04:31:27,388 INFO [main.py:798]
{rank 0/64} MD step = 117200 step time: 00:00:00.135282 Performance: 54.949 ns/day 0.437 hours/ns 3.180 steps/s 2024-05-08 04:32:05,497 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 149.76 -1966.8 16414 -18381 -18381 -0.00069528 -0.00064766 0.00076195 1.9189e+05 2024-05-08 04:32:19,572 INFO [main.py:798]
{rank 0/64} MD step = 117300 step time: 00:00:00.134464 Performance: 54.918 ns/day 0.437 hours/ns 3.178 steps/s 2024-05-08 04:32:37,682 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 151.69 -1688.6 16626 -18314 -18314 -0.00047622 -0.00089529 0.00068575 1.9203e+05 2024-05-08 04:32:52,855 INFO [main.py:798]
{rank 0/64} MD step = 117400 step time: 00:00:00.153968 Performance: 54.915 ns/day 0.437 hours/ns 3.178 steps/s 2024-05-08 04:33:21,304 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 149.01 -2239.6 16332 -18572 -18572 -0.00051431 -0.00062861 0.0006667 1.9219e+05 2024-05-08 04:33:36,633 INFO [main.py:798]
{rank 0/64} MD step = 117500 step time: 00:00:00.145930 Performance: 54.897 ns/day 0.437 hours/ns 3.177 steps/s 2024-05-08 04:33:52,421 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 149.8 -2164 16418 -18582 -18582 -0.00051431 -0.00083814 0.00083814 1.9236e+05 2024-05-08 04:34:15,725 INFO [main.py:798]
{rank 0/64} MD step = 117600 step time: 00:00:00.158426 Performance: 54.886 ns/day 0.437 hours/ns 3.176 steps/s 2024-05-08 04:34:44,905 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 150.44 -1837 16488 -18325 -18325 -0.00056194 -0.00034288 0.00057146 1.9258e+05 2024-05-08 04:35:00,086 INFO [main.py:798]
{rank 0/64} MD step = 117700 step time: 00:00:00.150385 Performance: 54.867 ns/day 0.437 hours/ns 3.175 steps/s 2024-05-08 04:35:22,812 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 149.28 -1914.2 16361 -18275 -18275 -0.00072385 -0.00028573 0.00055241 1.9276e+05 2024-05-08 04:35:39,245 INFO [main.py:798]
{rank 0/64} MD step = 117800 step time: 00:00:00.203545 Performance: 54.855 ns/day 0.438 hours/ns 3.174 steps/s 2024-05-08 04:36:08,877 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 149.97 -1614.2 16437 -18051 -18051 -0.00064766 -0.00060956 0.00028573 1.9296e+05 2024-05-08 04:36:23,108 INFO [main.py:798]
{rank 0/64} MD step = 117900 step time: 00:00:00.139767 Performance: 54.837 ns/day 0.438 hours/ns 3.173 steps/s 2024-05-08 04:36:48,654 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 149.09 -2140.1 16340 -18480 -18480 -0.00058099 -0.00049527 0.0004286 1.9305e+05 2024-05-08 04:37:23,452 INFO [main.py:798]
{rank 0/64} MD step = 118000 step time: 00:00:00.159605 Performance: 54.795 ns/day 0.438 hours/ns 3.171 steps/s 2024-05-08 04:37:47,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118000 23600 148.57 -2022.9 16283 -18306 -18306 -0.00040002 -0.00053336 0.00064766 1.9321e+05 2024-05-08 04:38:02,455 INFO [main.py:798]
{rank 0/64} MD step = 118100 step time: 00:00:00.155157 Performance: 54.784 ns/day 0.438 hours/ns 3.170 steps/s 2024-05-08 04:39:04,076 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 151.77 -1603 16634 -18237 -18237 -0.00033335 -0.0010096 0.00040002 1.9337e+05 2024-05-08 04:39:20,211 INFO [main.py:798]
{rank 0/64} MD step = 118200 step time: 00:00:00.144077 Performance: 54.716 ns/day 0.439 hours/ns 3.166 steps/s 2024-05-08 04:39:59,634 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 149.89 -1752.1 16428 -18180 -18180 -0.00041907 -0.00049527 0.00041907 1.9355e+05 2024-05-08 04:40:16,085 INFO [main.py:798]
{rank 0/64} MD step = 118300 step time: 00:00:00.155118 Performance: 54.680 ns/day 0.439 hours/ns 3.164 steps/s 2024-05-08 04:40:41,737 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 149.1 -1960.6 16341 -18302 -18302 -0.00040002 -0.00028573 0.00080005 1.9371e+05 2024-05-08 04:40:59,127 INFO [main.py:798]
{rank 0/64} MD step = 118400 step time: 00:00:00.143219 Performance: 54.663 ns/day 0.439 hours/ns 3.163 steps/s 2024-05-08 04:41:33,708 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 145.9 -2282.6 15991 -18273 -18273 -0.00087624 -0.00080005 0.00080005 1.9384e+05 2024-05-08 04:41:48,795 INFO [main.py:798]
{rank 0/64} MD step = 118500 step time: 00:00:00.153021 Performance: 54.637 ns/day 0.439 hours/ns 3.162 steps/s 2024-05-08 04:42:29,097 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 151.15 -1642.2 16566 -18208 -18208 -0.00068575 -0.00068575 0.00068575 1.9398e+05 2024-05-08 04:42:46,445 INFO [main.py:798]
{rank 0/64} MD step = 118600 step time: 00:00:00.160226 Performance: 54.599 ns/day 0.440 hours/ns 3.160 steps/s 2024-05-08 04:43:01,236 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 150.57 -1841.5 16503 -18344 -18344 -0.00034288 -0.00071433 0.00041907 1.9416e+05 2024-05-08 04:43:27,990 INFO [main.py:798]
{rank 0/64} MD step = 118700 step time: 00:00:00.146024 Performance: 54.585 ns/day 0.440 hours/ns 3.159 steps/s 2024-05-08 04:44:06,961 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 149.16 -1891.9 16349 -18240 -18240 -0.00045717 -0.00057146 0.00068575 1.9433e+05 2024-05-08 04:44:25,959 INFO [main.py:798]
{rank 0/64} MD step = 118800 step time: 00:00:00.151763 Performance: 54.547 ns/day 0.440 hours/ns 3.157 steps/s 2024-05-08 04:45:07,333 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 149.3 -2052.6 16363 -18416 -18416 -0.00057146 -0.00060956 0.0007048 1.9451e+05 2024-05-08 04:45:22,026 INFO [main.py:798]
{rank 0/64} MD step = 118900 step time: 00:00:00.155309 Performance: 54.511 ns/day 0.440 hours/ns 3.155 steps/s 2024-05-08 04:46:07,990 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 148.81 -2055.1 16310 -18365 -18365 -0.00060956 -0.0003524 0.00068575 1.9469e+05 2024-05-08 04:46:36,663 INFO [main.py:798]
{rank 0/64} MD step = 119000 step time: 00:00:00.151344 Performance: 54.449 ns/day 0.441 hours/ns 3.151 steps/s 2024-05-08 04:47:02,538 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 147.66 -2242.2 16184 -18426 -18426 -0.00076195 -0.00059051 0.00059051 1.9484e+05 2024-05-08 04:47:17,933 INFO [main.py:798]
{rank 0/64} MD step = 119100 step time: 00:00:00.163076 Performance: 54.436 ns/day 0.441 hours/ns 3.150 steps/s 2024-05-08 04:47:39,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119100 23820 150.25 -1806.9 16468 -18274 -18274 -0.00076195 -0.00080005 0.0007429 1.95e+05 2024-05-08 04:48:07,790 INFO [main.py:798]
{rank 0/64} MD step = 119200 step time: 00:00:00.161847 Performance: 54.410 ns/day 0.441 hours/ns 3.149 steps/s 2024-05-08 04:48:41,622 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 147.88 -2144.2 16207 -18352 -18352 -0.00064766 -0.00030478 0.00072385 1.9513e+05 2024-05-08 04:48:56,729 INFO [main.py:798]
{rank 0/64} MD step = 119300 step time: 00:00:00.155919 Performance: 54.385 ns/day 0.441 hours/ns 3.147 steps/s 2024-05-08 04:49:24,575 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 149.81 -2071.6 16419 -18491 -18491 -0.00064766 -0.00072385 0.0003905 1.953e+05 2024-05-08 04:49:41,078 INFO [main.py:798]
{rank 0/64} MD step = 119400 step time: 00:00:00.150891 Performance: 54.367 ns/day 0.441 hours/ns 3.146 steps/s 2024-05-08 04:50:15,174 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 152.45 -1633.8 16709 -18342 -18342 -0.00022858 -0.00047622 0.00053336 1.9547e+05 2024-05-08 04:50:30,571 INFO [main.py:798]
{rank 0/64} MD step = 119500 step time: 00:00:00.146298 Performance: 54.342 ns/day 0.442 hours/ns 3.145 steps/s 2024-05-08 04:51:02,288 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 149.96 -2014.3 16435 -18450 -18450 -0.00062861 -0.00051431 0.00038097 1.9568e+05 2024-05-08 04:51:17,123 INFO [main.py:798]
{rank 0/64} MD step = 119600 step time: 00:00:00.150507 Performance: 54.321 ns/day 0.442 hours/ns 3.144 steps/s 2024-05-08 04:51:47,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119600 23920 151.52 -1838.4 16607 -18446 -18446 -0.00076195 -0.00053336 0.000781 1.958e+05 2024-05-08 04:52:03,061 INFO [main.py:798]
{rank 0/64} MD step = 119700 step time: 00:00:00.150890 Performance: 54.300 ns/day 0.442 hours/ns 3.142 steps/s 2024-05-08 04:52:39,698 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 151.16 -1696.8 16568 -18265 -18265 -0.00091434 -0.00045717 0.00068575 1.9599e+05 2024-05-08 04:52:58,766 INFO [main.py:798]
{rank 0/64} MD step = 119800 step time: 00:00:00.154341 Performance: 54.266 ns/day 0.442 hours/ns 3.140 steps/s 2024-05-08 04:53:17,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119800 23960 148.14 -2111.6 16236 -18348 -18348 -0.0011429 -0.00084767 0.00060956 1.9621e+05 2024-05-08 04:53:48,590 INFO [main.py:798]
{rank 0/64} MD step = 119900 step time: 00:00:00.160835 Performance: 54.241 ns/day 0.442 hours/ns 3.139 steps/s 2024-05-08 04:54:25,947 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 148.08 -2082.9 16230 -18313 -18313 -0.00092386 -0.00022858 0.00034288 1.9628e+05 2024-05-08 04:54:46,458 INFO [main.py:798]
{rank 0/64} MD step = 120000 step time: 00:00:00.150544 Performance: 54.204 ns/day 0.443 hours/ns 3.137 steps/s 2024-05-08 04:55:31,270 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 152.58 -1647.8 16723 -18371 -18371 -0.00080957 -0.00076195 0.00030478 1.9646e+05 2024-05-08 04:55:47,238 INFO [main.py:798]
{rank 0/64} MD step = 120100 step time: 00:00:00.157242 Performance: 54.163 ns/day 0.443 hours/ns 3.134 steps/s 2024-05-08 04:56:48,967 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 151.66 -1841.1 16622 -18463 -18463 -0.0007429 -0.00080957 0.0010858 1.9665e+05 2024-05-08 04:57:04,345 INFO [main.py:798]
{rank 0/64} MD step = 120200 step time: 00:00:00.153292 Performance: 54.099 ns/day 0.444 hours/ns 3.131 steps/s 2024-05-08 04:57:43,504 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 150.01 -2090.2 16441 -18531 -18531 -0.00056194 -0.00060956 0.0007048 1.9682e+05 2024-05-08 04:58:08,160 INFO [main.py:798]
{rank 0/64} MD step = 120300 step time: 00:00:00.153472 Performance: 54.054 ns/day 0.444 hours/ns 3.128 steps/s 2024-05-08 04:59:35,364 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 149.12 -2030.2 16344 -18374 -18374 -0.0003905 -0.00049527 0.00036193 1.9696e+05 2024-05-08 04:59:48,925 INFO [main.py:798]
{rank 0/64} MD step = 120400 step time: 00:00:00.137302 Performance: 53.958 ns/day 0.445 hours/ns 3.123 steps/s 2024-05-08 05:00:23,155 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 149.42 -1932.6 16376 -18309 -18309 -0.00038097 -0.00058099 0.000781 1.9713e+05 2024-05-08 05:00:58,758 INFO [main.py:798]
{rank 0/64} MD step = 120500 step time: 00:00:00.150070 Performance: 53.905 ns/day 0.445 hours/ns 3.120 steps/s 2024-05-08 05:01:41,476 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 150.28 -2172.9 16471 -18644 -18644 -0.00080005 -0.00040955 0.00038097 1.973e+05 2024-05-08 05:01:58,727 INFO [main.py:798]
{rank 0/64} MD step = 120600 step time: 00:00:00.151300 Performance: 53.866 ns/day 0.446 hours/ns 3.117 steps/s 2024-05-08 05:03:06,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120600 24120 150.22 -1998.3 16464 -18463 -18463 -0.00072385 -0.00068575 0.00053336 1.9748e+05 2024-05-08 05:03:22,354 INFO [main.py:798]
{rank 0/64} MD step = 120700 step time: 00:00:00.165527 Performance: 53.795 ns/day 0.446 hours/ns 3.113 steps/s 2024-05-08 05:04:15,150 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 149.07 -2167.6 16338 -18506 -18506 -0.00028573 -0.00085719 0.00056194 1.9763e+05 2024-05-08 05:04:29,799 INFO [main.py:798]
{rank 0/64} MD step = 120800 step time: 00:00:00.149636 Performance: 53.746 ns/day 0.447 hours/ns 3.110 steps/s 2024-05-08 05:05:22,389 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 150.11 -1742.9 16452 -18195 -18195 -0.00087624 -0.00047622 0.00095243 1.9783e+05 2024-05-08 05:05:38,029 INFO [main.py:798]
{rank 0/64} MD step = 120900 step time: 00:00:00.150564 Performance: 53.696 ns/day 0.447 hours/ns 3.107 steps/s 2024-05-08 05:06:01,700 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 149.28 -1840.8 16361 -18202 -18202 -0.00036193 -0.00085719 0.00076195 1.9804e+05 2024-05-08 05:06:17,316 INFO [main.py:798]
{rank 0/64} MD step = 121000 step time: 00:00:00.154075 Performance: 53.686 ns/day 0.447 hours/ns 3.107 steps/s 2024-05-08 05:06:53,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121000 24200 151.68 -1473 16625 -18098 -18098 -0.00034288 -0.00064766 0.00068575 1.9815e+05 2024-05-08 05:07:10,353 INFO [main.py:798]
{rank 0/64} MD step = 121100 step time: 00:00:00.159540 Performance: 53.657 ns/day 0.447 hours/ns 3.105 steps/s 2024-05-08 05:07:52,317 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 150.47 -1723.7 16492 -18216 -18216 -0.00045717 -0.00083814 0.00076195 1.9833e+05 2024-05-08 05:08:07,396 INFO [main.py:798]
{rank 0/64} MD step = 121200 step time: 00:00:00.157608 Performance: 53.623 ns/day 0.448 hours/ns 3.103 steps/s 2024-05-08 05:08:43,050 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 148.9 -1973.9 16319 -18293 -18293 -0.00036193 -0.00053336 0.00078576 1.9846e+05 2024-05-08 05:09:00,506 INFO [main.py:798]
{rank 0/64} MD step = 121300 step time: 00:00:00.139860 Performance: 53.595 ns/day 0.448 hours/ns 3.102 steps/s 2024-05-08 05:09:51,550 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 148.56 -1977.5 16282 -18260 -18260 -0.00072385 -0.00064766 0.00060956 1.9866e+05 2024-05-08 05:10:06,975 INFO [main.py:798]
{rank 0/64} MD step = 121400 step time: 00:00:00.157836 Performance: 53.548 ns/day 0.448 hours/ns 3.099 steps/s 2024-05-08 05:10:40,785 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 151.81 -1737.4 16638 -18376 -18376 -0.00080005 -0.00072385 0.00064766 1.9874e+05 2024-05-08 05:11:18,425 INFO [main.py:798]
{rank 0/64} MD step = 121500 step time: 00:00:00.160256 Performance: 53.494 ns/day 0.449 hours/ns 3.096 steps/s 2024-05-08 05:12:05,576 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 152.8 -1779.1 16747 -18526 -18526 -0.00038097 -0.00083814 0.00041431 1.9886e+05 2024-05-08 05:12:21,974 INFO [main.py:798]
{rank 0/64} MD step = 121600 step time: 00:00:00.155297 Performance: 53.452 ns/day 0.449 hours/ns 3.093 steps/s 2024-05-08 05:13:05,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121600 24320 149.64 -1840 16401 -18241 -18241 -0.00040955 -0.00023811 0.00076195 1.9908e+05 2024-05-08 05:13:21,245 INFO [main.py:798]
{rank 0/64} MD step = 121700 step time: 00:00:00.148721 Performance: 53.415 ns/day 0.449 hours/ns 3.091 steps/s 2024-05-08 05:13:35,045 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 147.37 -1997.5 16152 -18149 -18149 -0.00041907 -0.00083814 0.00087624 1.9922e+05 2024-05-08 05:13:56,246 INFO [main.py:798]
{rank 0/64} MD step = 121800 step time: 00:00:00.187346 Performance: 53.412 ns/day 0.449 hours/ns 3.091 steps/s 2024-05-08 05:14:13,890 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 151.84 -1885.6 16642 -18527 -18527 -0.00068575 -0.00064766 0.00057146 1.9931e+05 2024-05-08 05:14:29,971 INFO [main.py:798]
{rank 0/64} MD step = 121900 step time: 00:00:00.164394 Performance: 53.410 ns/day 0.449 hours/ns 3.091 steps/s 2024-05-08 05:15:13,091 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 150.14 -2041.1 16456 -18497 -18497 -0.00081909 -0.00064766 0.00041907 1.9945e+05 2024-05-08 05:15:57,093 INFO [main.py:798]
{rank 0/64} MD step = 122000 step time: 00:00:00.152213 Performance: 53.336 ns/day 0.450 hours/ns 3.087 steps/s 2024-05-08 05:16:40,890 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 150.51 -2080.3 16496 -18576 -18576 -0.00049527 -0.00022858 0.00073337 1.9965e+05 2024-05-08 05:16:59,926 INFO [main.py:798]
{rank 0/64} MD step = 122100 step time: 00:00:00.150072 Performance: 53.295 ns/day 0.450 hours/ns 3.084 steps/s 2024-05-08 05:17:42,384 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 148.79 -2264.3 16307 -18572 -18572 -0.00064766 -0.00049527 0.00057146 1.9981e+05 2024-05-08 05:17:57,194 INFO [main.py:798]
{rank 0/64} MD step = 122200 step time: 00:00:00.148505 Performance: 53.261 ns/day 0.451 hours/ns 3.082 steps/s 2024-05-08 05:18:07,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122200 24440 147.88 -2221.7 16208 -18429 -18429 -0.00041907 -0.00072385 0.00045717 1.9992e+05 2024-05-08 05:18:24,105 INFO [main.py:798]
{rank 0/64} MD step = 122300 step time: 00:00:00.146230 Performance: 53.269 ns/day 0.451 hours/ns 3.083 steps/s 2024-05-08 05:19:44,374 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 148.97 -2211.5 16328 -18539 -18539 -0.00030478 -0.00072385 0.00087624 2.0008e+05 2024-05-08 05:20:00,242 INFO [main.py:798]
{rank 0/64} MD step = 122400 step time: 00:00:00.162365 Performance: 53.184 ns/day 0.451 hours/ns 3.078 steps/s 2024-05-08 05:20:34,024 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 149.45 -2349 16380 -18728 -18728 -0.00076195 -0.00064766 0.00035716 2.0021e+05 2024-05-08 05:20:49,397 INFO [main.py:798]
{rank 0/64} MD step = 122500 step time: 00:00:00.146688 Performance: 53.161 ns/day 0.451 hours/ns 3.076 steps/s 2024-05-08 05:21:05,401 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 151.71 -1946.9 16627 -18574 -18574 -0.00060956 -0.00034288 0.00057146 2.0037e+05 2024-05-08 05:21:26,527 INFO [main.py:798]
{rank 0/64} MD step = 122600 step time: 00:00:00.155603 Performance: 53.155 ns/day 0.452 hours/ns 3.076 steps/s 2024-05-08 05:21:56,139 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 149.44 -2198.2 16379 -18577 -18577 -0.00049527 -0.00053336 0.00057146 2.0047e+05 2024-05-08 05:22:10,541 INFO [main.py:798]
{rank 0/64} MD step = 122700 step time: 00:00:00.141093 Performance: 53.140 ns/day 0.452 hours/ns 3.075 steps/s 2024-05-08 05:22:45,386 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 151.74 -1750.1 16631 -18381 -18381 -0.00091434 -0.00019049 0.0010096 2.0068e+05 2024-05-08 05:23:06,436 INFO [main.py:798]
{rank 0/64} MD step = 122800 step time: 00:00:00.150794 Performance: 53.109 ns/day 0.452 hours/ns 3.073 steps/s 2024-05-08 05:23:28,619 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 149.93 -2221.6 16433 -18654 -18654 -0.00079052 -0.00045717 0.00059051 2.008e+05 2024-05-08 05:23:43,898 INFO [main.py:798]
{rank 0/64} MD step = 122900 step time: 00:00:00.154446 Performance: 53.102 ns/day 0.452 hours/ns 3.073 steps/s 2024-05-08 05:24:03,152 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 150.87 -2246.9 16536 -18783 -18783 -0.00080005 -0.00076195 0.00062861 2.0093e+05 2024-05-08 05:24:31,613 INFO [main.py:798]
{rank 0/64} MD step = 123000 step time: 00:00:00.142557 Performance: 53.082 ns/day 0.452 hours/ns 3.072 steps/s 2024-05-08 05:25:03,357 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 150.67 -2095 16513 -18608 -18608 -0.00072385 -0.00059051 0.0010286 2.0111e+05 2024-05-08 05:25:18,739 INFO [main.py:798]
{rank 0/64} MD step = 123100 step time: 00:00:00.150828 Performance: 53.063 ns/day 0.452 hours/ns 3.071 steps/s 2024-05-08 05:25:33,575 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 151.36 -1905.1 16589 -18494 -18494 -0.00057146 -0.00080005 0.00015239 2.0125e+05 2024-05-08 05:25:50,609 INFO [main.py:798]
{rank 0/64} MD step = 123200 step time: 00:00:00.155107 Performance: 53.064 ns/day 0.452 hours/ns 3.071 steps/s 2024-05-08 05:26:13,421 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 149.14 -2038 16346 -18384 -18384 -0.00068575 -0.00036193 0.00080005 2.0139e+05 2024-05-08 05:26:29,105 INFO [main.py:798]
{rank 0/64} MD step = 123300 step time: 00:00:00.151603 Performance: 53.056 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:26:59,601 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 150.76 -1953.3 16524 -18477 -18477 -0.00036193 -0.00053336 0.00072385 2.0154e+05 2024-05-08 05:27:14,722 INFO [main.py:798]
{rank 0/64} MD step = 123400 step time: 00:00:00.162421 Performance: 53.039 ns/day 0.453 hours/ns 3.069 steps/s 2024-05-08 05:27:28,118 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 150.51 -1949 16497 -18446 -18446 -0.00060956 -0.00053336 0.00080005 2.0174e+05 2024-05-08 05:27:43,528 INFO [main.py:798]
{rank 0/64} MD step = 123500 step time: 00:00:00.155956 Performance: 53.044 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:27:58,004 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 149.71 -1846.8 16409 -18255 -18255 -0.00034288 -0.00080957 0.00040002 2.0187e+05 2024-05-08 05:28:13,235 INFO [main.py:798]
{rank 0/64} MD step = 123600 step time: 00:00:00.156139 Performance: 53.047 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:28:31,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123600 24720 153 -1549.8 16770 -18319 -18319 -0.00081909 -0.00068575 0.00087624 2.0202e+05 2024-05-08 05:28:48,264 INFO [main.py:798]
{rank 0/64} MD step = 123700 step time: 00:00:00.165150 Performance: 53.044 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:29:04,883 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 150.16 -1750.7 16458 -18209 -18209 -0.00083814 -0.00035716 0.00041907 2.0223e+05 2024-05-08 05:29:20,745 INFO [main.py:798]
{rank 0/64} MD step = 123800 step time: 00:00:00.151364 Performance: 53.044 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:29:37,344 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 148.87 -1888.3 16316 -18204 -18204 -0.00083814 -0.00049527 0.00060956 2.0242e+05 2024-05-08 05:29:53,101 INFO [main.py:798]
{rank 0/64} MD step = 123900 step time: 00:00:00.136840 Performance: 53.045 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:30:09,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123900 24780 149.56 -1780 16392 -18172 -18172 -0.00068575 -0.00076195 0.00076195 2.0257e+05 2024-05-08 05:30:24,107 INFO [main.py:798]
{rank 0/64} MD step = 124000 step time: 00:00:00.155027 Performance: 53.047 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:30:36,755 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 147.98 -2168.3 16219 -18388 -18388 -0.00060956 -0.00053336 0.00064766 2.0268e+05 2024-05-08 05:30:53,351 INFO [main.py:798]
{rank 0/64} MD step = 124100 step time: 00:00:00.153772 Performance: 53.051 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:31:08,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124100 24820 150.38 -2058.9 16482 -18541 -18541 -0.00080005 -0.00038097 0.00086672 2.0283e+05 2024-05-08 05:31:22,635 INFO [main.py:798]
{rank 0/64} MD step = 124200 step time: 00:00:00.135615 Performance: 53.055 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 05:31:35,977 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 148.72 -1956.7 16300 -18257 -18257 -0.00068575 -0.00076195 0.00034288 2.0304e+05 2024-05-08 05:31:52,099 INFO [main.py:798]
{rank 0/64} MD step = 124300 step time: 00:00:00.155250 Performance: 53.059 ns/day 0.452 hours/ns 3.071 steps/s 2024-05-08 05:32:29,337 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 151.67 -1925.4 16623 -18548 -18548 -0.00053336 -0.00085719 0.00034288 2.0314e+05 2024-05-08 05:32:44,648 INFO [main.py:798]
{rank 0/64} MD step = 124400 step time: 00:00:00.150350 Performance: 53.033 ns/day 0.453 hours/ns 3.069 steps/s 2024-05-08 05:33:03,388 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 149.38 -2300.7 16372 -18673 -18673 -0.00049527 -0.00084767 0.00033335 2.0333e+05 2024-05-08 05:33:19,523 INFO [main.py:798]
{rank 0/64} MD step = 124500 step time: 00:00:00.163744 Performance: 53.030 ns/day 0.453 hours/ns 3.069 steps/s 2024-05-08 05:33:41,542 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 148.63 -2105.6 16290 -18395 -18395 -0.00034288 -0.00085719 0.00062861 2.0349e+05 2024-05-08 05:33:56,625 INFO [main.py:798]
{rank 0/64} MD step = 124600 step time: 00:00:00.157605 Performance: 53.024 ns/day 0.453 hours/ns 3.069 steps/s 2024-05-08 05:34:42,378 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 147.92 -2213.1 16213 -18426 -18426 -0.00068575 -0.00045717 0.00059051 2.0363e+05 2024-05-08 05:34:57,161 INFO [main.py:798]
{rank 0/64} MD step = 124700 step time: 00:00:00.148691 Performance: 52.988 ns/day 0.453 hours/ns 3.066 steps/s 2024-05-08 05:35:19,477 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 148.29 -2038.9 16252 -18291 -18291 -0.00038097 -0.0006667 0.00060956 2.038e+05 2024-05-08 05:35:34,386 INFO [main.py:798]
{rank 0/64} MD step = 124800 step time: 00:00:00.139089 Performance: 52.982 ns/day 0.453 hours/ns 3.066 steps/s 2024-05-08 05:35:46,545 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 149.53 -2131.9 16388 -18520 -18520 -0.00057146 -0.00060956 0.00081909 2.0389e+05 2024-05-08 05:36:02,424 INFO [main.py:798]
{rank 0/64} MD step = 124900 step time: 00:00:00.150930 Performance: 52.988 ns/day 0.453 hours/ns 3.066 steps/s 2024-05-08 05:36:15,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124900 24980 149.46 -1818.5 16381 -18199 -18199 -0.00072385 -0.00049527 0.00049527 2.0407e+05 2024-05-08 05:36:31,031 INFO [main.py:798]
{rank 0/64} MD step = 125000 step time: 00:00:00.155693 Performance: 52.993 ns/day 0.453 hours/ns 3.067 steps/s 2024-05-08 05:37:20,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125000 25000 151.58 -1677.7 16614 -18291 -18291 -0.00049527 -0.00053336 0.00093339 2.0423e+05 2024-05-08 05:37:36,695 INFO [main.py:798]
{rank 0/64} MD step = 125100 step time: 00:00:00.160960 Performance: 52.950 ns/day 0.453 hours/ns 3.064 steps/s 2024-05-08 05:38:09,388 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 148.91 -1841.6 16321 -18163 -18163 -0.00083814 -0.00080005 0.00019049 2.044e+05 2024-05-08 05:38:24,422 INFO [main.py:798]
{rank 0/64} MD step = 125200 step time: 00:00:00.152958 Performance: 52.931 ns/day 0.453 hours/ns 3.063 steps/s 2024-05-08 05:38:44,182 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 149.63 -2138 16399 -18538 -18538 -0.00080957 -0.00094291 0.00071909 2.0454e+05 2024-05-08 05:38:59,322 INFO [main.py:798]
{rank 0/64} MD step = 125300 step time: 00:00:00.143428 Performance: 52.928 ns/day 0.453 hours/ns 3.063 steps/s 2024-05-08 05:39:32,555 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 150.94 -2039.4 16543 -18583 -18583 -0.00060956 -0.00050479 0.00040955 2.047e+05 2024-05-08 05:39:46,856 INFO [main.py:798]
{rank 0/64} MD step = 125400 step time: 00:00:00.153345 Performance: 52.908 ns/day 0.454 hours/ns 3.062 steps/s 2024-05-08 05:40:17,779 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 151.22 -1751.2 16574 -18325 -18325 -0.00083814 -0.00049527 0.00049527 2.0488e+05 2024-05-08 05:40:41,129 INFO [main.py:798]
{rank 0/64} MD step = 125500 step time: 00:00:00.160058 Performance: 52.881 ns/day 0.454 hours/ns 3.060 steps/s 2024-05-08 05:41:11,344 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 149.14 -2106.4 16346 -18452 -18452 -0.00068575 -0.00041907 0.00086672 2.0504e+05 2024-05-08 05:41:29,118 INFO [main.py:798]
{rank 0/64} MD step = 125600 step time: 00:00:00.163989 Performance: 52.861 ns/day 0.454 hours/ns 3.059 steps/s 2024-05-08 05:42:09,932 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 148.44 -2343.4 16269 -18613 -18613 -0.00076195 -0.00083814 0.0006667 2.0521e+05 2024-05-08 05:42:27,644 INFO [main.py:798]
{rank 0/64} MD step = 125700 step time: 00:00:00.139994 Performance: 52.828 ns/day 0.454 hours/ns 3.057 steps/s 2024-05-08 05:42:52,253 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 150.83 -1947.1 16531 -18478 -18478 -0.00096196 -0.00059051 0.00087624 2.0544e+05 2024-05-08 05:43:06,007 INFO [main.py:798]
{rank 0/64} MD step = 125800 step time: 00:00:00.145733 Performance: 52.820 ns/day 0.454 hours/ns 3.057 steps/s 2024-05-08 05:43:20,436 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 147.45 -2234.4 16161 -18395 -18395 -0.00085719 -0.00060956 0.00064766 2.0556e+05 2024-05-08 05:43:40,730 INFO [main.py:798]
{rank 0/64} MD step = 125900 step time: 00:00:00.137342 Performance: 52.818 ns/day 0.454 hours/ns 3.057 steps/s 2024-05-08 05:44:09,397 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 152.17 -1546.7 16679 -18225 -18225 -0.00060956 -0.00062861 0.00080005 2.0575e+05 2024-05-08 05:44:25,731 INFO [main.py:798]
{rank 0/64} MD step = 126000 step time: 00:00:00.151135 Performance: 52.802 ns/day 0.455 hours/ns 3.056 steps/s 2024-05-08 05:44:50,861 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 150.04 -1643.6 16444 -18088 -18088 -0.0006667 -0.00063813 0.00031907 2.0594e+05 2024-05-08 05:45:05,894 INFO [main.py:798]
{rank 0/64} MD step = 126100 step time: 00:00:00.154993 Performance: 52.793 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 05:45:26,693 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 151.94 -1614.7 16653 -18268 -18268 -0.00064766 -0.00083814 0.00081909 2.0607e+05 2024-05-08 05:45:42,563 INFO [main.py:798]
{rank 0/64} MD step = 126200 step time: 00:00:00.152798 Performance: 52.788 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 05:46:08,540 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 151.39 -1730.7 16592 -18323 -18323 -0.00088576 -0.00038097 0.00053336 2.0624e+05 2024-05-08 05:46:24,436 INFO [main.py:798]
{rank 0/64} MD step = 126300 step time: 00:00:00.156529 Performance: 52.776 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:46:48,289 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 151.33 -1794 16586 -18380 -18380 -0.00057146 -0.00064766 7.6195e-05 2.0642e+05 2024-05-08 05:47:03,405 INFO [main.py:798]
{rank 0/64} MD step = 126400 step time: 00:00:00.149842 Performance: 52.768 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:47:11,462 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 148.95 -2161.1 16325 -18486 -18486 -0.00087624 -0.00085719 0.00011429 2.0662e+05 2024-05-08 05:47:30,195 INFO [main.py:798]
{rank 0/64} MD step = 126500 step time: 00:00:00.138177 Performance: 52.776 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:47:48,694 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 148.6 -2023.7 16287 -18310 -18310 -0.00059051 -0.00026668 0.00062861 2.0674e+05 2024-05-08 05:48:02,604 INFO [main.py:798]
{rank 0/64} MD step = 126600 step time: 00:00:00.147503 Performance: 52.776 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:48:21,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126600 25320 148.75 -2089.2 16304 -18393 -18393 -0.00045717 -0.00081909 0.00060956 2.0687e+05 2024-05-08 05:48:37,409 INFO [main.py:798]
{rank 0/64} MD step = 126700 step time: 00:00:00.155533 Performance: 52.773 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:48:51,279 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 152.77 -1437.8 16744 -18181 -18181 -0.00041907 -0.00083814 0.00045717 2.0707e+05 2024-05-08 05:49:08,068 INFO [main.py:798]
{rank 0/64} MD step = 126800 step time: 00:00:00.157174 Performance: 52.776 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:49:27,913 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 149.91 -1924.5 16430 -18354 -18354 -0.00060956 -0.00045717 0.00060956 2.0722e+05 2024-05-08 05:49:43,721 INFO [main.py:798]
{rank 0/64} MD step = 126900 step time: 00:00:00.149172 Performance: 52.772 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:50:06,425 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 149.38 -2329.2 16372 -18701 -18701 -0.00083814 -0.00047622 0.00080005 2.0736e+05 2024-05-08 05:50:21,695 INFO [main.py:798]
{rank 0/64} MD step = 127000 step time: 00:00:00.164224 Performance: 52.766 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:50:32,677 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 151.48 -1880.3 16603 -18483 -18483 -0.00057146 -0.00072385 0.00068575 2.0758e+05 2024-05-08 05:50:49,989 INFO [main.py:798]
{rank 0/64} MD step = 127100 step time: 00:00:00.155967 Performance: 52.771 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:51:04,758 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 152.76 -1474.9 16742 -18217 -18217 -0.00041907 -0.00045717 0.00089529 2.0777e+05 2024-05-08 05:51:20,827 INFO [main.py:798]
{rank 0/64} MD step = 127200 step time: 00:00:00.149626 Performance: 52.774 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:51:38,155 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 149.34 -2209 16368 -18577 -18577 -0.00046669 -0.00067623 0.00083814 2.079e+05 2024-05-08 05:51:53,490 INFO [main.py:798]
{rank 0/64} MD step = 127300 step time: 00:00:00.143934 Performance: 52.774 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:52:06,230 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 148.59 -2391.5 16286 -18677 -18677 -0.00082862 -0.00076195 0.0003905 2.0805e+05 2024-05-08 05:52:21,914 INFO [main.py:798]
{rank 0/64} MD step = 127400 step time: 00:00:00.146597 Performance: 52.779 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:52:36,039 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 148.92 -2237.3 16322 -18559 -18559 -0.00045717 -0.00045717 0.00094291 2.082e+05 2024-05-08 05:52:51,334 INFO [main.py:798]
{rank 0/64} MD step = 127500 step time: 00:00:00.155789 Performance: 52.783 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 05:53:16,568 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 150.16 -2108.2 16457 -18566 -18566 -0.00055241 -0.00060956 0.00091434 2.0833e+05 2024-05-08 05:53:34,621 INFO [main.py:798]
{rank 0/64} MD step = 127600 step time: 00:00:00.168292 Performance: 52.770 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:53:45,039 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 150.73 -2120.5 16520 -18641 -18641 -0.00098577 -0.00060956 0.00045717 2.0852e+05 2024-05-08 05:54:01,814 INFO [main.py:798]
{rank 0/64} MD step = 127700 step time: 00:00:00.160134 Performance: 52.777 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:54:07,092 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 149.74 -2094.5 16412 -18506 -18506 -0.00055241 -0.00076195 0.000781 2.0868e+05 2024-05-08 05:54:25,841 INFO [main.py:798]
{rank 0/64} MD step = 127800 step time: 00:00:00.162362 Performance: 52.788 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 05:54:32,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127800 25560 150.57 -2064.8 16503 -18568 -18568 -0.00062861 -0.00051431 0.00057146 2.0884e+05 2024-05-08 05:54:48,210 INFO [main.py:798]
{rank 0/64} MD step = 127900 step time: 00:00:00.142275 Performance: 52.801 ns/day 0.455 hours/ns 3.056 steps/s 2024-05-08 05:54:57,636 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 150.89 -1854.5 16538 -18393 -18393 -0.00036193 -0.00083814 0.00076195 2.09e+05 2024-05-08 05:55:14,189 INFO [main.py:798]
{rank 0/64} MD step = 128000 step time: 00:00:00.141404 Performance: 52.810 ns/day 0.454 hours/ns 3.056 steps/s 2024-05-08 05:55:36,804 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 149.45 -1904.1 16380 -18284 -18284 -0.00080005 -0.00095243 0.00043812 2.0913e+05 2024-05-08 05:55:52,092 INFO [main.py:798]
{rank 0/64} MD step = 128100 step time: 00:00:00.155059 Performance: 52.803 ns/day 0.455 hours/ns 3.056 steps/s 2024-05-08 05:56:00,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128100 25620 148.55 -2188.3 16281 -18469 -18469 -0.00080005 -0.00041907 0.00045717 2.0931e+05 2024-05-08 05:56:25,046 INFO [main.py:798]
{rank 0/64} MD step = 128200 step time: 00:00:00.138796 Performance: 52.803 ns/day 0.455 hours/ns 3.056 steps/s 2024-05-08 05:56:39,114 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 149.8 -2359.1 16419 -18778 -18778 -0.00057146 -0.00030478 0.00045717 2.0941e+05 2024-05-08 05:56:54,253 INFO [main.py:798]
{rank 0/64} MD step = 128300 step time: 00:00:00.141071 Performance: 52.807 ns/day 0.454 hours/ns 3.056 steps/s 2024-05-08 05:57:06,317 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 149.46 -2174.5 16381 -18555 -18555 -0.00057146 -0.00080005 0.00045717 2.096e+05 2024-05-08 05:57:25,957 INFO [main.py:798]
{rank 0/64} MD step = 128400 step time: 00:00:00.136816 Performance: 52.809 ns/day 0.454 hours/ns 3.056 steps/s 2024-05-08 05:57:51,356 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 149.55 -2027 16391 -18418 -18418 -0.00017144 -0.00058099 0.00056194 2.0982e+05 2024-05-08 05:58:07,066 INFO [main.py:798]
{rank 0/64} MD step = 128500 step time: 00:00:00.158444 Performance: 52.798 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 05:58:39,382 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 149.92 -1888.7 16431 -18320 -18320 -0.00091434 -0.00077147 0.00054289 2.0995e+05 2024-05-08 05:58:54,591 INFO [main.py:798]
{rank 0/64} MD step = 128600 step time: 00:00:00.144153 Performance: 52.780 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:59:12,928 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 148.1 -2373.2 16232 -18605 -18605 -0.00022858 -0.00053336 0.00034288 2.1009e+05 2024-05-08 05:59:28,088 INFO [main.py:798]
{rank 0/64} MD step = 128700 step time: 00:00:00.148944 Performance: 52.779 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 05:59:55,178 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 150.81 -2033.7 16528 -18562 -18562 -0.00057146 -0.00053336 0.0004286 2.1028e+05 2024-05-08 06:00:10,959 INFO [main.py:798]
{rank 0/64} MD step = 128800 step time: 00:00:00.139885 Performance: 52.766 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 06:00:30,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128800 25760 147.71 -2137.2 16190 -18327 -18327 -0.00068575 -0.00081909 0.00030478 2.104e+05 2024-05-08 06:00:45,364 INFO [main.py:798]
{rank 0/64} MD step = 128900 step time: 00:00:00.164158 Performance: 52.764 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:01:17,188 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 152.38 -1659.3 16701 -18360 -18360 -0.00061908 -0.00036193 0.00068575 2.1057e+05 2024-05-08 06:01:32,443 INFO [main.py:798]
{rank 0/64} MD step = 129000 step time: 00:00:00.142597 Performance: 52.746 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:01:43,360 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 150.67 -1943.7 16514 -18458 -18458 -0.00040002 -0.00045717 0.00045717 2.1074e+05 2024-05-08 06:01:57,866 INFO [main.py:798]
{rank 0/64} MD step = 129100 step time: 00:00:00.156613 Performance: 52.755 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:02:10,181 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 150.52 -1833.2 16497 -18331 -18331 -0.00022858 -0.00057146 0.0007429 2.1088e+05 2024-05-08 06:02:24,591 INFO [main.py:798]
{rank 0/64} MD step = 129200 step time: 00:00:00.143525 Performance: 52.763 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:02:46,855 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 151.63 -1638.3 16619 -18258 -18258 -0.00048574 -0.00057146 0.00045717 2.1108e+05 2024-05-08 06:03:02,726 INFO [main.py:798]
{rank 0/64} MD step = 129300 step time: 00:00:00.154950 Performance: 52.756 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:03:20,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129300 25860 147.02 -2454.8 16114 -18569 -18569 -0.00056194 -0.00095243 0.00091434 2.112e+05 2024-05-08 06:03:35,423 INFO [main.py:798]
{rank 0/64} MD step = 129400 step time: 00:00:00.134349 Performance: 52.756 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:03:49,271 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 151.13 -1893 16564 -18457 -18457 -0.00057146 -0.0005286 0.00056194 2.114e+05 2024-05-08 06:04:04,399 INFO [main.py:798]
{rank 0/64} MD step = 129500 step time: 00:00:00.163390 Performance: 52.761 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:04:25,663 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 148.53 -2196.6 16279 -18476 -18476 -0.00037145 -0.00080005 0.00089529 2.1153e+05 2024-05-08 06:04:42,013 INFO [main.py:798]
{rank 0/64} MD step = 129600 step time: 00:00:00.160700 Performance: 52.755 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:05:00,674 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 150.27 -1979 16469 -18448 -18448 -0.0007429 -0.00045717 0.00054289 2.1173e+05 2024-05-08 06:05:17,139 INFO [main.py:798]
{rank 0/64} MD step = 129700 step time: 00:00:00.133151 Performance: 52.752 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:05:26,585 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 151.84 -1872.5 16642 -18514 -18514 -0.00049527 -0.00026668 0.00089529 2.1187e+05 2024-05-08 06:05:47,058 INFO [main.py:798]
{rank 0/64} MD step = 129800 step time: 00:00:00.145558 Performance: 52.755 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:05:55,561 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 150.42 -1727.6 16487 -18214 -18214 -0.00034288 -0.000781 0.00083814 2.1207e+05 2024-05-08 06:06:11,253 INFO [main.py:798]
{rank 0/64} MD step = 129900 step time: 00:00:00.156981 Performance: 52.766 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 06:06:24,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129900 25980 150.88 -1729.8 16537 -18267 -18267 -0.00057146 -0.00028573 0.00076195 2.1224e+05 2024-05-08 06:06:45,804 INFO [main.py:798]
{rank 0/64} MD step = 130000 step time: 00:00:00.150986 Performance: 52.764 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:07:05,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130000 26000 150.03 -1953.5 16443 -18397 -18397 -0.00060956 -0.00060956 0.00057146 2.124e+05 2024-05-08 06:07:21,343 INFO [main.py:798]
{rank 0/64} MD step = 130100 step time: 00:00:00.156852 Performance: 52.760 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:07:32,665 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 150.85 -1842.6 16533 -18376 -18376 -0.0006667 -0.00097148 0.00064766 2.1256e+05 2024-05-08 06:07:49,477 INFO [main.py:798]
{rank 0/64} MD step = 130200 step time: 00:00:00.153399 Performance: 52.766 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 06:07:58,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130200 26040 149.37 -2092.7 16372 -18464 -18464 -0.00053336 -0.0007429 0.00030478 2.1276e+05 2024-05-08 06:08:14,982 INFO [main.py:798]
{rank 0/64} MD step = 130300 step time: 00:00:00.153650 Performance: 52.775 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 06:08:27,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 26060 150.95 -1898.7 16545 -18443 -18443 -0.00055241 -0.00062861 0.00087624 2.1293e+05 2024-05-08 06:08:42,964 INFO [main.py:798]
{rank 0/64} MD step = 130400 step time: 00:00:00.160334 Performance: 52.781 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 06:08:58,626 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 149.24 -1945.4 16357 -18303 -18303 -0.00053336 -0.00017144 0.00030478 2.1309e+05 2024-05-08 06:09:14,004 INFO [main.py:798]
{rank 0/64} MD step = 130500 step time: 00:00:00.157621 Performance: 52.783 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 06:09:32,534 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 152.08 -1624.9 16668 -18293 -18293 -0.00053336 -0.00068575 0.00064766 2.1322e+05 2024-05-08 06:09:47,289 INFO [main.py:798]
{rank 0/64} MD step = 130600 step time: 00:00:00.151844 Performance: 52.782 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 06:10:00,505 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 149.77 -1926.6 16415 -18342 -18342 -0.00057146 -0.00049527 0.00083814 2.1334e+05 2024-05-08 06:10:34,687 INFO [main.py:798]
{rank 0/64} MD step = 130700 step time: 00:00:00.158660 Performance: 52.764 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:10:54,664 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 149.08 -1902.7 16340 -18242 -18242 -0.0007048 -0.00049527 0.00041907 2.1355e+05 2024-05-08 06:11:10,265 INFO [main.py:798]
{rank 0/64} MD step = 130800 step time: 00:00:00.159454 Performance: 52.761 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:11:24,054 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 151.1 -1733.6 16560 -18294 -18294 -0.00081909 -0.00057146 0.00072385 2.137e+05 2024-05-08 06:11:40,227 INFO [main.py:798]
{rank 0/64} MD step = 130900 step time: 00:00:00.151696 Performance: 52.764 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:11:52,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130900 26180 148.37 -2246.1 16262 -18508 -18508 -0.00080005 -0.00072385 0.00064766 2.1383e+05 2024-05-08 06:12:08,099 INFO [main.py:798]
{rank 0/64} MD step = 131000 step time: 00:00:00.155198 Performance: 52.770 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 06:12:36,737 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 148.2 -1996.6 16243 -18239 -18239 -0.00060956 -0.00072385 0.00087624 2.1396e+05 2024-05-08 06:12:52,396 INFO [main.py:798]
{rank 0/64} MD step = 131100 step time: 00:00:00.149433 Performance: 52.756 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:13:13,195 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 150.07 -1914.5 16448 -18363 -18363 -0.00091434 -0.00049527 0.00056194 2.1413e+05 2024-05-08 06:13:28,841 INFO [main.py:798]
{rank 0/64} MD step = 131200 step time: 00:00:00.153741 Performance: 52.751 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:13:45,968 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 147.88 -2080.3 16208 -18288 -18288 -0.0006667 -0.00080005 0.00088576 2.1431e+05 2024-05-08 06:14:01,313 INFO [main.py:798]
{rank 0/64} MD step = 131300 step time: 00:00:00.152108 Performance: 52.752 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:14:20,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131300 26260 151.34 -1712.7 16587 -18299 -18299 -0.00045717 -0.00069528 0.00072385 2.1441e+05 2024-05-08 06:14:35,816 INFO [main.py:798]
{rank 0/64} MD step = 131400 step time: 00:00:00.146350 Performance: 52.749 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:14:53,948 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 149.95 -2003.1 16435 -18438 -18438 -0.00054289 -0.00038097 0.00068575 2.1458e+05 2024-05-08 06:15:09,272 INFO [main.py:798]
{rank 0/64} MD step = 131500 step time: 00:00:00.146924 Performance: 52.749 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:15:27,030 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 148.96 -2330.4 16326 -18657 -18657 -0.0006667 -0.0007048 0.00083814 2.1472e+05 2024-05-08 06:15:41,894 INFO [main.py:798]
{rank 0/64} MD step = 131600 step time: 00:00:00.165537 Performance: 52.749 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:15:58,952 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 152.38 -1733.9 16701 -18435 -18435 -0.00026668 -0.00083814 0.00049527 2.1486e+05 2024-05-08 06:16:16,100 INFO [main.py:798]
{rank 0/64} MD step = 131700 step time: 00:00:00.148240 Performance: 52.747 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:16:33,791 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 150.83 -1968.1 16532 -18500 -18500 -0.00041907 -0.00047622 0.00051431 2.1505e+05 2024-05-08 06:16:48,783 INFO [main.py:798]
{rank 0/64} MD step = 131800 step time: 00:00:00.153731 Performance: 52.747 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:17:04,419 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 149.02 -2014.8 16332 -18347 -18347 -0.00053336 -0.00040002 0.00090481 2.1519e+05 2024-05-08 06:17:19,372 INFO [main.py:798]
{rank 0/64} MD step = 131900 step time: 00:00:00.154446 Performance: 52.750 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:17:32,547 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 149.21 -1936 16353 -18289 -18289 -0.00027621 -0.00099053 0.00036193 2.1535e+05 2024-05-08 06:17:48,394 INFO [main.py:798]
{rank 0/64} MD step = 132000 step time: 00:00:00.159049 Performance: 52.754 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:18:11,769 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 152.29 -1697.6 16691 -18388 -18388 -0.00061908 -0.00097148 0.00093339 2.1548e+05 2024-05-08 06:18:32,028 INFO [main.py:798]
{rank 0/64} MD step = 132100 step time: 00:00:00.159944 Performance: 52.741 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:18:46,248 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 151.18 -1842 16570 -18412 -18412 -0.00036193 -0.00055241 0.00057146 2.1561e+05 2024-05-08 06:19:02,457 INFO [main.py:798]
{rank 0/64} MD step = 132200 step time: 00:00:00.149656 Performance: 52.744 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:19:18,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132200 26440 152.83 -1736.9 16750 -18487 -18487 -0.00069528 -0.00092386 0.00045717 2.1577e+05 2024-05-08 06:19:33,127 INFO [main.py:798]
{rank 0/64} MD step = 132300 step time: 00:00:00.154415 Performance: 52.746 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:19:49,655 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 151.15 -1759.5 16567 -18326 -18326 -0.0007429 -0.00064766 0.00081909 2.1597e+05 2024-05-08 06:20:04,938 INFO [main.py:798]
{rank 0/64} MD step = 132400 step time: 00:00:00.150855 Performance: 52.748 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:20:16,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132400 26480 151.87 -1818.1 16646 -18464 -18464 -0.00028573 -0.00060956 0.00057146 2.1612e+05 2024-05-08 06:20:32,409 INFO [main.py:798]
{rank 0/64} MD step = 132500 step time: 00:00:00.160649 Performance: 52.754 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:20:45,485 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 149.68 -1970.2 16405 -18375 -18375 -0.00050479 -0.00095243 0.00081909 2.1625e+05 2024-05-08 06:21:01,399 INFO [main.py:798]
{rank 0/64} MD step = 132600 step time: 00:00:00.150436 Performance: 52.759 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:21:20,731 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 150.64 -1709.2 16511 -18220 -18220 -0.00038097 -0.00053336 0.00067623 2.164e+05 2024-05-08 06:21:36,714 INFO [main.py:798]
{rank 0/64} MD step = 132700 step time: 00:00:00.144295 Performance: 52.755 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:21:53,727 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 149.67 -2029.1 16404 -18433 -18433 -0.00072385 -0.00037145 0.00083814 2.1653e+05 2024-05-08 06:22:08,666 INFO [main.py:798]
{rank 0/64} MD step = 132800 step time: 00:00:00.155850 Performance: 52.756 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:22:28,333 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 148.93 -2068.5 16323 -18391 -18391 -0.00068575 -0.00083814 0.00087624 2.1669e+05 2024-05-08 06:22:44,538 INFO [main.py:798]
{rank 0/64} MD step = 132900 step time: 00:00:00.166347 Performance: 52.753 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:22:54,705 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 149.89 -1822.4 16428 -18250 -18250 -0.00053336 -0.00038097 0.00057146 2.1684e+05 2024-05-08 06:23:11,700 INFO [main.py:798]
{rank 0/64} MD step = 133000 step time: 00:00:00.176516 Performance: 52.759 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:23:26,241 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 150.9 -1707 16539 -18246 -18246 -0.00032383 -0.00053336 0.00057146 2.1704e+05 2024-05-08 06:23:46,452 INFO [main.py:798]
{rank 0/64} MD step = 133100 step time: 00:00:00.139254 Performance: 52.757 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:24:09,059 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 149.32 -1872.3 16366 -18238 -18238 -0.00060956 -0.0007048 0.00043812 2.1716e+05 2024-05-08 06:24:25,425 INFO [main.py:798]
{rank 0/64} MD step = 133200 step time: 00:00:00.158736 Performance: 52.750 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:24:44,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133200 26640 151.43 -1858.5 16597 -18456 -18456 -0.00053336 -0.00032383 0.00055241 2.1732e+05 2024-05-08 06:25:00,205 INFO [main.py:798]
{rank 0/64} MD step = 133300 step time: 00:00:00.162679 Performance: 52.747 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:25:15,086 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 150.56 -2018.2 16501 -18519 -18519 -0.00036193 -0.00043812 0.00049527 2.1747e+05 2024-05-08 06:25:30,688 INFO [main.py:798]
{rank 0/64} MD step = 133400 step time: 00:00:00.153735 Performance: 52.750 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:25:45,118 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 151.4 -2124.5 16593 -18718 -18718 -0.00091434 -0.00060956 0.00076195 2.1758e+05 2024-05-08 06:26:00,503 INFO [main.py:798]
{rank 0/64} MD step = 133500 step time: 00:00:00.157587 Performance: 52.753 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:26:16,306 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 150.01 -2153.5 16442 -18595 -18595 -0.00060956 -0.00048574 0.000781 2.1776e+05 2024-05-08 06:26:35,443 INFO [main.py:798]
{rank 0/64} MD step = 133600 step time: 00:00:00.143720 Performance: 52.751 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:26:53,762 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 147.31 -2363.7 16145 -18509 -18509 -0.00026668 -0.00038097 0.00049527 2.1791e+05 2024-05-08 06:27:08,908 INFO [main.py:798]
{rank 0/64} MD step = 133700 step time: 00:00:00.157022 Performance: 52.750 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:27:42,136 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 150.22 -1969 16464 -18433 -18433 -0.00062861 -0.00019049 0.00062861 2.1807e+05 2024-05-08 06:27:57,307 INFO [main.py:798]
{rank 0/64} MD step = 133800 step time: 00:00:00.151136 Performance: 52.731 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:28:11,831 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 149.72 -1877.2 16410 -18287 -18287 -0.00064766 -0.00095243 0.000781 2.1822e+05 2024-05-08 06:28:26,336 INFO [main.py:798]
{rank 0/64} MD step = 133900 step time: 00:00:00.150282 Performance: 52.736 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:28:56,642 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 149.71 -2048.9 16408 -18457 -18457 -0.00041907 -0.00072385 0.00049527 2.1841e+05 2024-05-08 06:29:11,694 INFO [main.py:798]
{rank 0/64} MD step = 134000 step time: 00:00:00.149890 Performance: 52.720 ns/day 0.455 hours/ns 3.051 steps/s 2024-05-08 06:29:26,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134000 26800 148.55 -2253.2 16282 -18535 -18535 -0.0006667 -0.000781 0.00015239 2.1855e+05 2024-05-08 06:29:42,064 INFO [main.py:798]
{rank 0/64} MD step = 134100 step time: 00:00:00.163138 Performance: 52.723 ns/day 0.455 hours/ns 3.051 steps/s 2024-05-08 06:30:17,148 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 148.43 -2343.5 16268 -18612 -18612 -0.00034288 -0.00068575 0.0007429 2.1872e+05 2024-05-08 06:30:32,625 INFO [main.py:798]
{rank 0/64} MD step = 134200 step time: 00:00:00.152891 Performance: 52.702 ns/day 0.455 hours/ns 3.050 steps/s 2024-05-08 06:30:50,420 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 147.95 -2540.8 16216 -18757 -18757 -0.00057146 -0.00068575 0.00021906 2.1889e+05 2024-05-08 06:31:07,149 INFO [main.py:798]
{rank 0/64} MD step = 134300 step time: 00:00:00.157135 Performance: 52.700 ns/day 0.455 hours/ns 3.050 steps/s 2024-05-08 06:31:27,439 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 151.36 -1984.9 16589 -18574 -18574 -0.00049527 -0.00064766 0.00045717 2.1901e+05 2024-05-08 06:31:44,609 INFO [main.py:798]
{rank 0/64} MD step = 134400 step time: 00:00:00.162352 Performance: 52.694 ns/day 0.455 hours/ns 3.049 steps/s 2024-05-08 06:32:03,226 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 148.56 -2113.6 16282 -18396 -18396 -0.00064766 -0.00053336 0.00087624 2.192e+05 2024-05-08 06:32:19,866 INFO [main.py:798]
{rank 0/64} MD step = 134500 step time: 00:00:00.143673 Performance: 52.691 ns/day 0.455 hours/ns 3.049 steps/s 2024-05-08 06:32:35,596 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 150 -1892.3 16440 -18332 -18332 -0.00080005 -0.00036193 0.00071433 2.1936e+05 2024-05-08 06:32:50,815 INFO [main.py:798]
{rank 0/64} MD step = 134600 step time: 00:00:00.151842 Performance: 52.694 ns/day 0.455 hours/ns 3.049 steps/s 2024-05-08 06:33:03,376 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 149.27 -1899.2 16360 -18259 -18259 -0.00095243 -0.00089529 0.00083814 2.1956e+05 2024-05-08 06:33:18,501 INFO [main.py:798]
{rank 0/64} MD step = 134700 step time: 00:00:00.157496 Performance: 52.700 ns/day 0.455 hours/ns 3.050 steps/s 2024-05-08 06:33:39,341 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 151.95 -1736.9 16654 -18391 -18391 -0.00051431 -0.00057146 0.00080005 2.1969e+05 2024-05-08 06:34:03,635 INFO [main.py:798]
{rank 0/64} MD step = 134800 step time: 00:00:00.156360 Performance: 52.685 ns/day 0.456 hours/ns 3.049 steps/s 2024-05-08 06:34:14,975 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 152.3 -1707.9 16693 -18401 -18401 -0.00068575 -0.00053336 0.0006667 2.1989e+05 2024-05-08 06:34:30,060 INFO [main.py:798]
{rank 0/64} MD step = 134900 step time: 00:00:00.159416 Performance: 52.693 ns/day 0.455 hours/ns 3.049 steps/s 2024-05-08 06:35:16,765 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 150.28 -2002.6 16471 -18473 -18473 -0.00036193 -0.00047146 0.0007048 2.2005e+05 2024-05-08 06:35:32,198 INFO [main.py:798]
{rank 0/64} MD step = 135000 step time: 00:00:00.153245 Performance: 52.658 ns/day 0.456 hours/ns 3.047 steps/s 2024-05-08 06:35:41,464 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 150.07 -1777.1 16448 -18225 -18225 -0.00056194 -0.00068575 0.00045717 2.2023e+05 2024-05-08 06:35:59,736 INFO [main.py:798]
{rank 0/64} MD step = 135100 step time: 00:00:00.155954 Performance: 52.664 ns/day 0.456 hours/ns 3.048 steps/s 2024-05-08 06:36:13,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135100 27020 149.75 -1823.7 16413 -18236 -18236 -0.00032383 -0.00091434 0.00061908 2.2042e+05 2024-05-08 06:36:29,661 INFO [main.py:798]
{rank 0/64} MD step = 135200 step time: 00:00:00.159069 Performance: 52.667 ns/day 0.456 hours/ns 3.048 steps/s 2024-05-08 06:36:36,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135200 27040 148.87 -2165.8 16317 -18482 -18482 -0.00024763 -0.00093339 0.00030478 2.2055e+05 2024-05-08 06:36:52,105 INFO [main.py:798]
{rank 0/64} MD step = 135300 step time: 00:00:00.157136 Performance: 52.680 ns/day 0.456 hours/ns 3.049 steps/s 2024-05-08 06:37:00,680 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 149.6 -2018.1 16397 -18415 -18415 -0.00032383 -0.00076195 0.00057146 2.2069e+05 2024-05-08 06:37:16,639 INFO [main.py:798]
{rank 0/64} MD step = 135400 step time: 00:00:00.156480 Performance: 52.689 ns/day 0.455 hours/ns 3.049 steps/s 2024-05-08 06:37:25,652 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 149.89 -2010.7 16429 -18439 -18439 -0.00076195 -0.0006667 0.00060956 2.209e+05 2024-05-08 06:37:40,670 INFO [main.py:798]
{rank 0/64} MD step = 135500 step time: 00:00:00.154923 Performance: 52.700 ns/day 0.455 hours/ns 3.050 steps/s 2024-05-08 06:37:57,905 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 148.85 -2084.7 16315 -18399 -18399 -0.00041907 -0.00040002 0.00081909 2.2105e+05 2024-05-08 06:38:13,644 INFO [main.py:798]
{rank 0/64} MD step = 135600 step time: 00:00:00.150622 Performance: 52.700 ns/day 0.455 hours/ns 3.050 steps/s 2024-05-08 06:38:20,221 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 149.04 -2130.9 16335 -18466 -18466 -0.00049527 -0.00077147 0.00043812 2.2125e+05 2024-05-08 06:38:36,254 INFO [main.py:798]
{rank 0/64} MD step = 135700 step time: 00:00:00.184382 Performance: 52.712 ns/day 0.455 hours/ns 3.050 steps/s 2024-05-08 06:38:40,637 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 149.04 -2045 16335 -18380 -18380 -0.00068575 -0.00091434 0.00072385 2.2144e+05 2024-05-08 06:39:01,148 INFO [main.py:798]
{rank 0/64} MD step = 135800 step time: 00:00:00.155890 Performance: 52.721 ns/day 0.455 hours/ns 3.051 steps/s 2024-05-08 06:39:06,888 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 151.46 -1977.1 16601 -18578 -18578 -0.00026668 -0.00034288 0.00041907 2.216e+05 2024-05-08 06:39:22,477 INFO [main.py:798]
{rank 0/64} MD step = 135900 step time: 00:00:00.160944 Performance: 52.735 ns/day 0.455 hours/ns 3.052 steps/s 2024-05-08 06:39:27,883 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 150.44 -1938.2 16488 -18427 -18427 -0.00089529 -0.00087624 0.0007048 2.2179e+05 2024-05-08 06:39:42,743 INFO [main.py:798]
{rank 0/64} MD step = 136000 step time: 00:00:00.161792 Performance: 52.749 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:39:48,246 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 147.78 -2018.1 16197 -18215 -18215 -0.00036193 -0.00049527 0.00043812 2.2198e+05 2024-05-08 06:40:03,871 INFO [main.py:798]
{rank 0/64} MD step = 136100 step time: 00:00:00.153899 Performance: 52.763 ns/day 0.455 hours/ns 3.053 steps/s 2024-05-08 06:40:11,050 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 150.63 -1829.1 16509 -18338 -18338 -0.00041907 -0.00022858 0.00049527 2.2217e+05 2024-05-08 06:40:27,205 INFO [main.py:798]
{rank 0/64} MD step = 136200 step time: 00:00:00.159820 Performance: 52.774 ns/day 0.455 hours/ns 3.054 steps/s 2024-05-08 06:40:32,883 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 148.29 -2064.2 16253 -18318 -18318 -0.00059051 -0.0007048 0.0007429 2.2237e+05 2024-05-08 06:40:49,134 INFO [main.py:798]
{rank 0/64} MD step = 136300 step time: 00:00:00.154851 Performance: 52.787 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 06:40:58,883 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 149.66 -2021.2 16402 -18424 -18424 -0.00080005 -0.00030478 0.0007429 2.2254e+05 2024-05-08 06:41:14,509 INFO [main.py:798]
{rank 0/64} MD step = 136400 step time: 00:00:00.170372 Performance: 52.796 ns/day 0.455 hours/ns 3.055 steps/s 2024-05-08 06:41:20,784 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 148.02 -2348.9 16223 -18572 -18572 -0.00057146 -0.000781 0.00049527 2.2266e+05 2024-05-08 06:41:36,310 INFO [main.py:798]
{rank 0/64} MD step = 136500 step time: 00:00:00.180759 Performance: 52.809 ns/day 0.454 hours/ns 3.056 steps/s 2024-05-08 06:41:46,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136500 27300 152.86 -1734.3 16754 -18489 -18489 -0.00060956 -0.00038097 0.00068575 2.2279e+05 2024-05-08 06:42:02,770 INFO [main.py:798]
{rank 0/64} MD step = 136600 step time: 00:00:00.159896 Performance: 52.816 ns/day 0.454 hours/ns 3.056 steps/s 2024-05-08 06:42:08,360 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 150.29 -2003.2 16472 -18475 -18475 -0.00044288 -0.00076195 0.00064766 2.2296e+05 2024-05-08 06:42:23,747 INFO [main.py:798]
{rank 0/64} MD step = 136700 step time: 00:00:00.155520 Performance: 52.830 ns/day 0.454 hours/ns 3.057 steps/s 2024-05-08 06:42:28,669 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 148.15 -2037.9 16237 -18275 -18275 -0.00051431 -0.00060956 0.00068575 2.2312e+05 2024-05-08 06:42:44,380 INFO [main.py:798]
{rank 0/64} MD step = 136800 step time: 00:00:00.149281 Performance: 52.844 ns/day 0.454 hours/ns 3.058 steps/s 2024-05-08 06:42:50,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136800 27360 151.68 -1765.7 16625 -18390 -18390 -0.0010191 -0.00060003 0.0003524 2.2327e+05 2024-05-08 06:43:06,481 INFO [main.py:798]
{rank 0/64} MD step = 136900 step time: 00:00:00.164410 Performance: 52.857 ns/day 0.454 hours/ns 3.059 steps/s 2024-05-08 06:43:11,600 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 148.38 -2066 16262 -18328 -18328 -0.00057146 -0.00068575 0.00051431 2.2346e+05 2024-05-08 06:43:29,123 INFO [main.py:798]
{rank 0/64} MD step = 137000 step time: 00:00:00.159184 Performance: 52.869 ns/day 0.454 hours/ns 3.060 steps/s 2024-05-08 06:43:36,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137000 27400 152.04 -1773.5 16664 -18438 -18438 -0.00083814 -0.00085719 0.00060956 2.2361e+05 2024-05-08 06:43:52,265 INFO [main.py:798]
{rank 0/64} MD step = 137100 step time: 00:00:00.173874 Performance: 52.880 ns/day 0.454 hours/ns 3.060 steps/s 2024-05-08 06:43:57,884 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 149.25 -2079.6 16358 -18438 -18438 -0.00054289 -0.00025716 0.00091434 2.2379e+05 2024-05-08 06:44:12,884 INFO [main.py:798]
{rank 0/64} MD step = 137200 step time: 00:00:00.156958 Performance: 52.894 ns/day 0.454 hours/ns 3.061 steps/s 2024-05-08 06:44:17,586 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 149.14 -2084 16346 -18430 -18430 -0.00053336 -0.00049527 0.00026668 2.2393e+05 2024-05-08 06:44:32,485 INFO [main.py:798]
{rank 0/64} MD step = 137300 step time: 00:00:00.144213 Performance: 52.910 ns/day 0.454 hours/ns 3.062 steps/s 2024-05-08 06:44:54,718 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 149.33 -2297.2 16366 -18664 -18664 -0.00080005 -0.00076195 0.00060003 2.2407e+05 2024-05-08 06:45:10,427 INFO [main.py:798]
{rank 0/64} MD step = 137400 step time: 00:00:00.157520 Performance: 52.903 ns/day 0.454 hours/ns 3.062 steps/s 2024-05-08 06:45:15,404 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 146.47 -2427.8 16054 -18482 -18482 -0.00094291 -0.00087624 0.00076195 2.2425e+05 2024-05-08 06:45:32,822 INFO [main.py:798]
{rank 0/64} MD step = 137500 step time: 00:00:00.162744 Performance: 52.915 ns/day 0.454 hours/ns 3.062 steps/s 2024-05-08 06:45:38,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137500 27500 151.03 -1820.9 16553 -18374 -18374 -0.00041907 -0.00063813 0.00083814 2.2444e+05 2024-05-08 06:45:54,388 INFO [main.py:798]
{rank 0/64} MD step = 137600 step time: 00:00:00.161123 Performance: 52.928 ns/day 0.453 hours/ns 3.063 steps/s 2024-05-08 06:46:01,040 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 149.31 -1878.3 16364 -18242 -18242 -0.00053336 -0.00043812 0.00080005 2.2466e+05 2024-05-08 06:46:16,515 INFO [main.py:798]
{rank 0/64} MD step = 137700 step time: 00:00:00.149977 Performance: 52.941 ns/day 0.453 hours/ns 3.064 steps/s 2024-05-08 06:46:23,767 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 149.96 -2001.9 16436 -18438 -18438 -0.00036193 -0.00045717 0.00097148 2.2478e+05 2024-05-08 06:46:44,676 INFO [main.py:798]
{rank 0/64} MD step = 137800 step time: 00:00:00.141134 Performance: 52.946 ns/day 0.453 hours/ns 3.064 steps/s 2024-05-08 06:46:55,495 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 150.97 -1699.5 16546 -18246 -18246 -0.00064766 -0.00059051 0.00083814 2.2496e+05 2024-05-08 06:47:11,395 INFO [main.py:798]
{rank 0/64} MD step = 137900 step time: 00:00:00.159520 Performance: 52.953 ns/day 0.453 hours/ns 3.064 steps/s 2024-05-08 06:47:19,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137900 27580 152.31 -1589.4 16693 -18282 -18282 -0.00053336 -0.00072385 0.00091434 2.251e+05 2024-05-08 06:47:34,528 INFO [main.py:798]
{rank 0/64} MD step = 138000 step time: 00:00:00.153085 Performance: 52.964 ns/day 0.453 hours/ns 3.065 steps/s 2024-05-08 06:47:40,835 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 148.32 -2107 16256 -18363 -18363 -0.00034288 -0.00083814 0.00076195 2.2526e+05 2024-05-08 06:47:56,380 INFO [main.py:798]
{rank 0/64} MD step = 138100 step time: 00:00:00.145402 Performance: 52.977 ns/day 0.453 hours/ns 3.066 steps/s 2024-05-08 06:48:00,459 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 150.88 -1805.8 16537 -18342 -18342 -0.00072385 -0.00062861 0.00076195 2.2543e+05 2024-05-08 06:48:17,079 INFO [main.py:798]
{rank 0/64} MD step = 138200 step time: 00:00:00.136684 Performance: 52.991 ns/day 0.453 hours/ns 3.067 steps/s 2024-05-08 06:48:23,598 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 150.41 -2069.5 16485 -18555 -18555 -0.00081909 -0.00043812 0.00053336 2.2559e+05 2024-05-08 06:48:39,640 INFO [main.py:798]
{rank 0/64} MD step = 138300 step time: 00:00:00.141835 Performance: 53.003 ns/day 0.453 hours/ns 3.067 steps/s 2024-05-08 06:48:47,734 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 151.46 -1922.2 16600 -18522 -18522 -0.00053336 -0.00057146 -0.00028573 2.2576e+05 2024-05-08 06:49:04,093 INFO [main.py:798]
{rank 0/64} MD step = 138400 step time: 00:00:00.154169 Performance: 53.012 ns/day 0.453 hours/ns 3.068 steps/s 2024-05-08 06:49:09,742 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 150.4 -1827.2 16484 -18311 -18311 -0.00062861 -0.00045717 0.00089529 2.2592e+05 2024-05-08 06:49:25,991 INFO [main.py:798]
{rank 0/64} MD step = 138500 step time: 00:00:00.155383 Performance: 53.025 ns/day 0.453 hours/ns 3.069 steps/s 2024-05-08 06:49:31,488 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 151.86 -1731.5 16644 -18375 -18375 -0.00053336 -0.00056194 0.00038097 2.2605e+05 2024-05-08 06:49:47,704 INFO [main.py:798]
{rank 0/64} MD step = 138600 step time: 00:00:00.160253 Performance: 53.038 ns/day 0.453 hours/ns 3.069 steps/s 2024-05-08 06:49:54,009 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 152.22 -1710 16683 -18393 -18393 -0.00045717 -0.00076195 0.00053336 2.2618e+05 2024-05-08 06:50:10,269 INFO [main.py:798]
{rank 0/64} MD step = 138700 step time: 00:00:00.155141 Performance: 53.049 ns/day 0.452 hours/ns 3.070 steps/s 2024-05-08 06:50:15,919 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 150.28 -1785.4 16471 -18256 -18256 -0.00057146 -0.00060956 -0.00045717 2.2635e+05 2024-05-08 06:50:32,172 INFO [main.py:798]
{rank 0/64} MD step = 138800 step time: 00:00:00.155136 Performance: 53.062 ns/day 0.452 hours/ns 3.071 steps/s 2024-05-08 06:50:36,630 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 148.4 -2139 16265 -18404 -18404 -0.00087624 -0.00048574 0.00022858 2.2645e+05 2024-05-08 06:50:54,006 INFO [main.py:798]
{rank 0/64} MD step = 138900 step time: 00:00:00.155845 Performance: 53.075 ns/day 0.452 hours/ns 3.071 steps/s 2024-05-08 06:51:00,650 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 149.57 -2102.3 16393 -18495 -18495 -0.00057146 -0.00034288 0.00083814 2.2665e+05 2024-05-08 06:51:15,881 INFO [main.py:798]
{rank 0/64} MD step = 139000 step time: 00:00:00.149150 Performance: 53.087 ns/day 0.452 hours/ns 3.072 steps/s 2024-05-08 06:51:20,556 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 152.38 -1703.9 16701 -18404 -18404 -0.00038097 -0.0007429 0.00034288 2.2681e+05 2024-05-08 06:51:37,747 INFO [main.py:798]
{rank 0/64} MD step = 139100 step time: 00:00:00.149126 Performance: 53.100 ns/day 0.452 hours/ns 3.073 steps/s 2024-05-08 06:51:43,778 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 148.64 -2083.1 16291 -18374 -18374 -0.00064766 -0.00076195 0.00064766 2.2698e+05 2024-05-08 06:51:58,734 INFO [main.py:798]
{rank 0/64} MD step = 139200 step time: 00:00:00.157351 Performance: 53.113 ns/day 0.452 hours/ns 3.074 steps/s 2024-05-08 06:52:03,094 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 147.5 -2317.3 16166 -18484 -18484 -0.00057146 -0.00057146 0.00051431 2.2716e+05 2024-05-08 06:52:20,121 INFO [main.py:798]
{rank 0/64} MD step = 139300 step time: 00:00:00.152823 Performance: 53.126 ns/day 0.452 hours/ns 3.074 steps/s 2024-05-08 06:52:25,839 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 150.59 -2159.2 16505 -18664 -18664 -0.00083814 -0.00062861 0.00055241 2.2732e+05 2024-05-08 06:52:41,531 INFO [main.py:798]
{rank 0/64} MD step = 139400 step time: 00:00:00.158124 Performance: 53.139 ns/day 0.452 hours/ns 3.075 steps/s 2024-05-08 06:52:49,527 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 149.26 -1844.8 16359 -18204 -18204 -0.00072385 -0.00026668 0.00033335 2.275e+05 2024-05-08 06:53:05,225 INFO [main.py:798]
{rank 0/64} MD step = 139500 step time: 00:00:00.154707 Performance: 53.150 ns/day 0.452 hours/ns 3.076 steps/s 2024-05-08 06:53:14,694 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 149.52 -1898.2 16388 -18286 -18286 -0.00087624 -0.00060956 0.00060956 2.2764e+05 2024-05-08 06:53:30,550 INFO [main.py:798]
{rank 0/64} MD step = 139600 step time: 00:00:00.154111 Performance: 53.158 ns/day 0.451 hours/ns 3.076 steps/s 2024-05-08 06:53:48,076 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 151.13 -1777.2 16564 -18341 -18341 -0.00072385 -0.00091434 0.00051431 2.2781e+05 2024-05-08 06:54:03,415 INFO [main.py:798]
{rank 0/64} MD step = 139700 step time: 00:00:00.170060 Performance: 53.158 ns/day 0.451 hours/ns 3.076 steps/s 2024-05-08 06:54:07,778 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 150.69 -1839.8 16516 -18356 -18356 -0.00072385 -0.00072385 0.00049527 2.2796e+05 2024-05-08 06:54:24,840 INFO [main.py:798]
{rank 0/64} MD step = 139800 step time: 00:00:00.174146 Performance: 53.171 ns/day 0.451 hours/ns 3.077 steps/s 2024-05-08 06:54:31,163 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 151.39 -1884.2 16593 -18477 -18477 -0.00053336 -0.00076195 0.00064766 2.2811e+05 2024-05-08 06:54:47,006 INFO [main.py:798]
{rank 0/64} MD step = 139900 step time: 00:00:00.166554 Performance: 53.183 ns/day 0.451 hours/ns 3.078 steps/s 2024-05-08 06:54:52,982 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 151.52 -1824.1 16607 -18431 -18431 -0.00030478 -0.00053336 0.00030478 2.283e+05 2024-05-08 06:55:08,726 INFO [main.py:798]
{rank 0/64} MD step = 140000 step time: 00:00:00.164951 Performance: 53.195 ns/day 0.451 hours/ns 3.078 steps/s 2024-05-08 06:55:14,335 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 150.66 -2070.9 16512 -18583 -18583 -0.00032383 -0.00095243 0.00019049 2.2845e+05 2024-05-08 06:55:30,149 INFO [main.py:798]
{rank 0/64} MD step = 140100 step time: 00:00:00.160902 Performance: 53.208 ns/day 0.451 hours/ns 3.079 steps/s 2024-05-08 06:55:36,006 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 149.08 -2284.9 16339 -18624 -18624 -0.0007048 -0.00034288 0.00036193 2.2859e+05 2024-05-08 06:55:51,272 INFO [main.py:798]
{rank 0/64} MD step = 140200 step time: 00:00:00.158962 Performance: 53.221 ns/day 0.451 hours/ns 3.080 steps/s 2024-05-08 06:55:56,701 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 148.93 -1988.4 16322 -18311 -18311 -0.00030478 -0.00073337 0.00049527 2.2878e+05 2024-05-08 06:56:14,065 INFO [main.py:798]
{rank 0/64} MD step = 140300 step time: 00:00:00.155893 Performance: 53.233 ns/day 0.451 hours/ns 3.081 steps/s 2024-05-08 06:56:27,347 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 150.78 -1825.5 16525 -18351 -18351 -0.00091434 -0.00080005 0.00055241 2.2899e+05 2024-05-08 06:56:40,937 INFO [main.py:798]
{rank 0/64} MD step = 140400 step time: 00:00:00.140728 Performance: 53.239 ns/day 0.451 hours/ns 3.081 steps/s 2024-05-08 06:56:46,414 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 150.09 -2075.8 16450 -18526 -18526 -0.00053336 -0.00030478 0.00093339 2.2913e+05 2024-05-08 06:57:04,000 INFO [main.py:798]
{rank 0/64} MD step = 140500 step time: 00:00:00.159648 Performance: 53.250 ns/day 0.451 hours/ns 3.082 steps/s 2024-05-08 06:57:12,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140500 28100 148.52 -2322.5 16278 -18600 -18600 -0.00076195 -0.00076195 0.00072385 2.2927e+05 2024-05-08 06:57:27,901 INFO [main.py:798]
{rank 0/64} MD step = 140600 step time: 00:00:00.157238 Performance: 53.260 ns/day 0.451 hours/ns 3.082 steps/s 2024-05-08 06:57:34,398 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 151.32 -2001.1 16585 -18586 -18586 -0.00038097 -0.00072385 0.00053336 2.2942e+05 2024-05-08 06:57:50,087 INFO [main.py:798]
{rank 0/64} MD step = 140700 step time: 00:00:00.157736 Performance: 53.272 ns/day 0.451 hours/ns 3.083 steps/s 2024-05-08 06:57:56,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140700 28140 148.83 -2048 16312 -18360 -18360 -0.00053336 -0.00083814 -0.00026668 2.2962e+05 2024-05-08 06:58:11,596 INFO [main.py:798]
{rank 0/64} MD step = 140800 step time: 00:00:00.169256 Performance: 53.285 ns/day 0.450 hours/ns 3.084 steps/s 2024-05-08 06:58:19,059 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 146.42 -2413.1 16048 -18461 -18461 -0.0006667 -0.00041907 0.000781 2.2978e+05 2024-05-08 06:58:34,821 INFO [main.py:798]
{rank 0/64} MD step = 140900 step time: 00:00:00.154286 Performance: 53.296 ns/day 0.450 hours/ns 3.084 steps/s 2024-05-08 06:58:41,874 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 150.09 -1844.1 16450 -18294 -18294 -0.00022858 -0.00083814 0.00085719 2.299e+05 2024-05-08 06:58:59,678 INFO [main.py:798]
{rank 0/64} MD step = 141000 step time: 00:00:00.158517 Performance: 53.305 ns/day 0.450 hours/ns 3.085 steps/s 2024-05-08 06:59:11,583 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 150.12 -1967.4 16453 -18421 -18421 -0.00026668 -0.00087624 0.00076195 2.3003e+05 2024-05-08 06:59:29,223 INFO [main.py:798]
{rank 0/64} MD step = 141100 step time: 00:00:00.137353 Performance: 53.308 ns/day 0.450 hours/ns 3.085 steps/s 2024-05-08 06:59:39,321 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 149.06 -2148.3 16337 -18485 -18485 -0.00057146 -0.00091434 0.00064766 2.3019e+05 2024-05-08 06:59:52,935 INFO [main.py:798]
{rank 0/64} MD step = 141200 step time: 00:00:00.139693 Performance: 53.318 ns/day 0.450 hours/ns 3.086 steps/s 2024-05-08 07:00:04,858 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 151.24 -1647 16576 -18223 -18223 -0.00064766 -0.00072385 0.00044764 2.3038e+05 2024-05-08 07:00:19,057 INFO [main.py:798]
{rank 0/64} MD step = 141300 step time: 00:00:00.153189 Performance: 53.325 ns/day 0.450 hours/ns 3.086 steps/s 2024-05-08 07:00:33,043 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 151.84 -1636.8 16642 -18279 -18279 -0.00087624 -0.00095243 0.00026668 2.3055e+05 2024-05-08 07:00:47,047 INFO [main.py:798]
{rank 0/64} MD step = 141400 step time: 00:00:00.156709 Performance: 53.330 ns/day 0.450 hours/ns 3.086 steps/s 2024-05-08 07:00:52,145 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 150.8 -1600.4 16528 -18128 -18128 -0.00034288 -0.00072385 0.0007429 2.3076e+05 2024-05-08 07:01:10,214 INFO [main.py:798]
{rank 0/64} MD step = 141500 step time: 00:00:00.156829 Performance: 53.341 ns/day 0.450 hours/ns 3.087 steps/s 2024-05-08 07:01:19,085 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 149.54 -1872.4 16390 -18263 -18263 -0.00072385 -0.00072385 0.00099053 2.3092e+05 2024-05-08 07:01:34,561 INFO [main.py:798]
{rank 0/64} MD step = 141600 step time: 00:00:00.149693 Performance: 53.351 ns/day 0.450 hours/ns 3.087 steps/s 2024-05-08 07:01:42,705 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 150.22 -1748.5 16464 -18213 -18213 -0.00029525 -0.00099053 0.00057146 2.3104e+05 2024-05-08 07:02:00,419 INFO [main.py:798]
{rank 0/64} MD step = 141700 step time: 00:00:00.153282 Performance: 53.358 ns/day 0.450 hours/ns 3.088 steps/s 2024-05-08 07:02:07,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141700 28340 149.41 -1892.1 16375 -18267 -18267 -0.0007429 -0.00045717 0.00063813 2.3123e+05 2024-05-08 07:02:23,831 INFO [main.py:798]
{rank 0/64} MD step = 141800 step time: 00:00:00.153945 Performance: 53.369 ns/day 0.450 hours/ns 3.088 steps/s 2024-05-08 07:02:34,270 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 149.56 -1933.5 16392 -18325 -18325 -0.00040955 -0.00083814 0.00045717 2.3139e+05 2024-05-08 07:02:50,405 INFO [main.py:798]
{rank 0/64} MD step = 141900 step time: 00:00:00.150087 Performance: 53.375 ns/day 0.450 hours/ns 3.089 steps/s 2024-05-08 07:02:59,187 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 149.89 -1952.2 16428 -18380 -18380 -0.00030478 -0.0006667 0.00040002 2.3157e+05 2024-05-08 07:03:16,691 INFO [main.py:798]
{rank 0/64} MD step = 142000 step time: 00:00:00.148871 Performance: 53.382 ns/day 0.450 hours/ns 3.089 steps/s 2024-05-08 07:03:27,792 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 149.82 -1986 16421 -18407 -18407 -0.00046669 -0.00072385 0.0010096 2.3176e+05 2024-05-08 07:03:43,403 INFO [main.py:798]
{rank 0/64} MD step = 142100 step time: 00:00:00.147670 Performance: 53.389 ns/day 0.450 hours/ns 3.090 steps/s 2024-05-08 07:03:54,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142100 28420 150.55 -1806.6 16500 -18307 -18307 -0.00057146 -0.00076195 0.00060956 2.3192e+05 2024-05-08 07:04:09,842 INFO [main.py:798]
{rank 0/64} MD step = 142200 step time: 00:00:00.149180 Performance: 53.396 ns/day 0.449 hours/ns 3.090 steps/s 2024-05-08 07:04:20,420 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 149.83 -1861.8 16422 -18284 -18284 -0.00091434 -0.00028573 0.00057146 2.3207e+05 2024-05-08 07:04:36,432 INFO [main.py:798]
{rank 0/64} MD step = 142300 step time: 00:00:00.151635 Performance: 53.403 ns/day 0.449 hours/ns 3.090 steps/s 2024-05-08 07:04:53,027 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 148.36 -2026.9 16261 -18288 -18288 -0.00053336 -0.00038097 0.0007048 2.3222e+05 2024-05-08 07:05:08,947 INFO [main.py:798]
{rank 0/64} MD step = 142400 step time: 00:00:00.144617 Performance: 53.402 ns/day 0.449 hours/ns 3.090 steps/s 2024-05-08 07:05:15,323 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 150.22 -2136.2 16464 -18601 -18601 -0.0007048 -0.00060956 0.00045717 2.3236e+05 2024-05-08 07:05:30,527 INFO [main.py:798]
{rank 0/64} MD step = 142500 step time: 00:00:00.151052 Performance: 53.415 ns/day 0.449 hours/ns 3.091 steps/s 2024-05-08 07:05:38,891 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 150.51 -1802.7 16496 -18299 -18299 -0.00091434 -0.00055241 0.00087624 2.3257e+05 2024-05-08 07:05:55,503 INFO [main.py:798]
{rank 0/64} MD step = 142600 step time: 00:00:00.159111 Performance: 53.423 ns/day 0.449 hours/ns 3.092 steps/s 2024-05-08 07:06:02,722 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 150.01 -2030.7 16442 -18472 -18472 -0.0006667 -0.00056194 0.00068575 2.3271e+05 2024-05-08 07:06:18,589 INFO [main.py:798]
{rank 0/64} MD step = 142700 step time: 00:00:00.163170 Performance: 53.434 ns/day 0.449 hours/ns 3.092 steps/s 2024-05-08 07:06:26,192 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 149.44 -1958.9 16379 -18338 -18338 -0.00076195 -0.00072385 0.00024763 2.3291e+05 2024-05-08 07:06:42,242 INFO [main.py:798]
{rank 0/64} MD step = 142800 step time: 00:00:00.164856 Performance: 53.444 ns/day 0.449 hours/ns 3.093 steps/s 2024-05-08 07:06:49,877 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 149.94 -1844.4 16434 -18278 -18278 -0.00030478 -0.00057146 0.00057146 2.3311e+05 2024-05-08 07:07:05,514 INFO [main.py:798]
{rank 0/64} MD step = 142900 step time: 00:00:00.160328 Performance: 53.455 ns/day 0.449 hours/ns 3.093 steps/s 2024-05-08 07:07:13,279 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 151.87 -1850.5 16645 -18495 -18495 -0.00083814 -0.00040002 0.00057146 2.3325e+05 2024-05-08 07:07:29,080 INFO [main.py:798]
{rank 0/64} MD step = 143000 step time: 00:00:00.152629 Performance: 53.465 ns/day 0.449 hours/ns 3.094 steps/s 2024-05-08 07:07:35,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143000 28600 150.57 -1971.7 16502 -18474 -18474 -0.0007048 -0.00057146 0.00043812 2.3342e+05 2024-05-08 07:07:51,514 INFO [main.py:798]
{rank 0/64} MD step = 143100 step time: 00:00:00.159845 Performance: 53.476 ns/day 0.449 hours/ns 3.095 steps/s 2024-05-08 07:08:00,690 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 151.84 -1905.1 16642 -18547 -18547 -0.00029525 -0.00060956 0.00059527 2.3354e+05 2024-05-08 07:08:16,398 INFO [main.py:798]
{rank 0/64} MD step = 143200 step time: 00:00:00.161826 Performance: 53.485 ns/day 0.449 hours/ns 3.095 steps/s 2024-05-08 07:08:22,578 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 148.79 -2262.9 16307 -18570 -18570 -0.00043812 -0.00053336 0.00043812 2.3375e+05 2024-05-08 07:08:39,013 INFO [main.py:798]
{rank 0/64} MD step = 143300 step time: 00:00:00.160430 Performance: 53.496 ns/day 0.449 hours/ns 3.096 steps/s 2024-05-08 07:08:48,785 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 149.14 -2171.6 16346 -18518 -18518 -0.00091434 -0.0010286 0.00079052 2.3389e+05 2024-05-08 07:09:04,232 INFO [main.py:798]
{rank 0/64} MD step = 143400 step time: 00:00:00.157593 Performance: 53.504 ns/day 0.449 hours/ns 3.096 steps/s 2024-05-08 07:09:12,466 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 150.61 -1719.5 16507 -18226 -18226 -0.00060956 -0.0007048 0.00060956 2.3404e+05 2024-05-08 07:09:28,153 INFO [main.py:798]
{rank 0/64} MD step = 143500 step time: 00:00:00.163726 Performance: 53.514 ns/day 0.448 hours/ns 3.097 steps/s 2024-05-08 07:09:34,972 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 149.77 -2049.4 16415 -18465 -18465 -0.00095243 -0.00076195 0.00068575 2.3423e+05 2024-05-08 07:09:50,395 INFO [main.py:798]
{rank 0/64} MD step = 143600 step time: 00:00:00.159645 Performance: 53.525 ns/day 0.448 hours/ns 3.098 steps/s 2024-05-08 07:09:54,408 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 151.89 -1697 16648 -18345 -18345 -0.00081909 -0.0006667 0.0010096 2.3444e+05 2024-05-08 07:10:12,840 INFO [main.py:798]
{rank 0/64} MD step = 143700 step time: 00:00:00.156177 Performance: 53.537 ns/day 0.448 hours/ns 3.098 steps/s 2024-05-08 07:10:18,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143700 28740 151 -1763.3 16550 -18313 -18313 -0.00060003 -0.00078576 0.00072385 2.3457e+05 2024-05-08 07:10:34,786 INFO [main.py:798]
{rank 0/64} MD step = 143800 step time: 00:00:00.157957 Performance: 53.549 ns/day 0.448 hours/ns 3.099 steps/s 2024-05-08 07:10:43,272 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 150.17 -1990 16459 -18449 -18449 -0.00041907 -0.000781 0.00051431 2.3469e+05 2024-05-08 07:10:59,369 INFO [main.py:798]
{rank 0/64} MD step = 143900 step time: 00:00:00.155354 Performance: 53.558 ns/day 0.448 hours/ns 3.099 steps/s 2024-05-08 07:11:07,995 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 148.78 -2151.3 16306 -18457 -18457 -0.00083814 -0.0006667 0.00080005 2.3486e+05 2024-05-08 07:11:23,402 INFO [main.py:798]
{rank 0/64} MD step = 144000 step time: 00:00:00.155508 Performance: 53.567 ns/day 0.448 hours/ns 3.100 steps/s 2024-05-08 07:11:31,286 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 150.15 -2136.7 16456 -18593 -18593 -0.00080005 -0.00064766 0.00026668 2.3503e+05 2024-05-08 07:11:47,048 INFO [main.py:798]
{rank 0/64} MD step = 144100 step time: 00:00:00.159367 Performance: 53.577 ns/day 0.448 hours/ns 3.101 steps/s 2024-05-08 07:11:55,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144100 28820 149.06 -1986.8 16338 -18324 -18324 -0.00060956 -0.00053336 0.00068575 2.3519e+05 2024-05-08 07:12:10,704 INFO [main.py:798]
{rank 0/64} MD step = 144200 step time: 00:00:00.152322 Performance: 53.587 ns/day 0.448 hours/ns 3.101 steps/s 2024-05-08 07:12:17,573 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 152.17 -1860.4 16678 -18538 -18538 -0.00076195 -0.00026668 0.00056194 2.354e+05 2024-05-08 07:12:33,859 INFO [main.py:798]
{rank 0/64} MD step = 144300 step time: 00:00:00.161171 Performance: 53.597 ns/day 0.448 hours/ns 3.102 steps/s 2024-05-08 07:12:40,589 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 151.57 -1646.9 16612 -18259 -18259 -0.0011096 -0.00060956 0.00049527 2.3557e+05 2024-05-08 07:12:56,196 INFO [main.py:798]
{rank 0/64} MD step = 144400 step time: 00:00:00.182724 Performance: 53.609 ns/day 0.448 hours/ns 3.102 steps/s 2024-05-08 07:13:04,974 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 146.97 -2314.2 16108 -18422 -18422 -0.00083814 -0.00099053 0.00060956 2.3571e+05 2024-05-08 07:13:21,354 INFO [main.py:798]
{rank 0/64} MD step = 144500 step time: 00:00:00.159316 Performance: 53.617 ns/day 0.448 hours/ns 3.103 steps/s 2024-05-08 07:13:28,904 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 149.06 -2044.3 16337 -18381 -18381 -0.00076195 -0.000781 0.0006667 2.3588e+05 2024-05-08 07:13:44,927 INFO [main.py:798]
{rank 0/64} MD step = 144600 step time: 00:00:00.163176 Performance: 53.627 ns/day 0.448 hours/ns 3.103 steps/s 2024-05-08 07:13:50,499 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 149.38 -2072.3 16372 -18444 -18444 -0.00027621 -0.00064766 0.00020001 2.3603e+05 2024-05-08 07:14:08,690 INFO [main.py:798]
{rank 0/64} MD step = 144700 step time: 00:00:00.161486 Performance: 53.637 ns/day 0.447 hours/ns 3.104 steps/s 2024-05-08 07:14:16,265 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 147.67 -2338.3 16184 -18523 -18523 -0.00083814 -0.00030478 0.00048574 2.362e+05 2024-05-08 07:14:31,951 INFO [main.py:798]
{rank 0/64} MD step = 144800 step time: 00:00:00.160572 Performance: 53.647 ns/day 0.447 hours/ns 3.105 steps/s 2024-05-08 07:14:39,954 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 148.71 -2037.7 16299 -18337 -18337 -0.00079052 -0.000781 0.00053336 2.3632e+05 2024-05-08 07:14:55,915 INFO [main.py:798]
{rank 0/64} MD step = 144900 step time: 00:00:00.162002 Performance: 53.656 ns/day 0.447 hours/ns 3.105 steps/s 2024-05-08 07:15:02,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144900 28980 150.68 -1911.7 16514 -18426 -18426 -0.00087624 -0.00082862 0.00091434 2.3649e+05 2024-05-08 07:15:20,073 INFO [main.py:798]
{rank 0/64} MD step = 145000 step time: 00:00:00.159124 Performance: 53.666 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:16:01,550 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 150.16 -2027.2 16458 -18485 -18485 -0.00085719 -7.6195e-05 0.00040002 2.3663e+05 2024-05-08 07:16:16,919 INFO [main.py:798]
{rank 0/64} MD step = 145100 step time: 00:00:00.166773 Performance: 53.637 ns/day 0.447 hours/ns 3.104 steps/s 2024-05-08 07:16:23,841 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 150.39 -1932.8 16483 -18415 -18415 -0.00053336 -0.00037145 0.00041907 2.3684e+05 2024-05-08 07:16:38,744 INFO [main.py:798]
{rank 0/64} MD step = 145200 step time: 00:00:00.159852 Performance: 53.649 ns/day 0.447 hours/ns 3.105 steps/s 2024-05-08 07:16:46,925 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 151.27 -1631.3 16579 -18211 -18211 -0.00050479 -0.00057146 0.00051431 2.3698e+05 2024-05-08 07:17:02,793 INFO [main.py:798]
{rank 0/64} MD step = 145300 step time: 00:00:00.158942 Performance: 53.659 ns/day 0.447 hours/ns 3.105 steps/s 2024-05-08 07:17:12,200 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 147.13 -2157.4 16126 -18283 -18283 -0.00057146 -0.00047622 0.00081909 2.3719e+05 2024-05-08 07:17:28,657 INFO [main.py:798]
{rank 0/64} MD step = 145400 step time: 00:00:00.163964 Performance: 53.666 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:17:41,008 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 151.37 -2002.2 16590 -18592 -18592 -0.00040002 -0.00085719 0.00064766 2.3738e+05 2024-05-08 07:17:57,084 INFO [main.py:798]
{rank 0/64} MD step = 145500 step time: 00:00:00.168058 Performance: 53.670 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:18:04,812 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 149.68 -2078.7 16405 -18484 -18484 -0.00015239 -0.00057146 0.00034288 2.3756e+05 2024-05-08 07:18:28,798 INFO [main.py:798]
{rank 0/64} MD step = 145600 step time: 00:00:00.144301 Performance: 53.671 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:18:41,563 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 150.41 -1840.4 16485 -18326 -18326 -0.00087624 -0.00053336 0.00053336 2.3769e+05 2024-05-08 07:18:57,676 INFO [main.py:798]
{rank 0/64} MD step = 145700 step time: 00:00:00.160570 Performance: 53.675 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:19:17,203 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 149.85 -2021.3 16424 -18445 -18445 -0.00076195 -0.00076195 0.00040002 2.3785e+05 2024-05-08 07:19:35,404 INFO [main.py:798]
{rank 0/64} MD step = 145800 step time: 00:00:00.149549 Performance: 53.668 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:20:02,991 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 151.82 -2022 16639 -18661 -18661 -0.00053336 -0.00033335 0.00036193 2.3798e+05 2024-05-08 07:20:18,992 INFO [main.py:798]
{rank 0/64} MD step = 145900 step time: 00:00:00.178407 Performance: 53.655 ns/day 0.447 hours/ns 3.105 steps/s 2024-05-08 07:20:27,329 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 150.57 -2050.4 16503 -18553 -18553 -0.00064766 -0.00064766 0.00045717 2.3815e+05 2024-05-08 07:20:42,401 INFO [main.py:798]
{rank 0/64} MD step = 146000 step time: 00:00:00.154676 Performance: 53.665 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:20:51,489 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 153.5 -1808.7 16824 -18633 -18633 -0.00072385 -0.00055241 0.00057146 2.3829e+05 2024-05-08 07:21:08,432 INFO [main.py:798]
{rank 0/64} MD step = 146100 step time: 00:00:00.156788 Performance: 53.672 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:21:17,958 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 150.22 -2061.8 16464 -18526 -18526 -0.00047622 -0.00076195 0.00064766 2.3849e+05 2024-05-08 07:21:35,265 INFO [main.py:798]
{rank 0/64} MD step = 146200 step time: 00:00:00.148265 Performance: 53.678 ns/day 0.447 hours/ns 3.106 steps/s 2024-05-08 07:21:43,825 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 152 -1878.1 16659 -18537 -18537 -0.00034288 -0.00047622 0.0003524 2.3866e+05 2024-05-08 07:21:59,916 INFO [main.py:798]
{rank 0/64} MD step = 146300 step time: 00:00:00.150418 Performance: 53.687 ns/day 0.447 hours/ns 3.107 steps/s 2024-05-08 07:22:07,078 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 148.73 -2267.4 16301 -18569 -18569 -0.000781 -0.00060956 0.00091434 2.3882e+05 2024-05-08 07:22:22,944 INFO [main.py:798]
{rank 0/64} MD step = 146400 step time: 00:00:00.146665 Performance: 53.697 ns/day 0.447 hours/ns 3.107 steps/s 2024-05-08 07:22:30,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146400 29280 151.61 -2106.1 16617 -18723 -18723 -0.00045717 -0.00057146 0.00047622 2.3894e+05 2024-05-08 07:22:46,885 INFO [main.py:798]
{rank 0/64} MD step = 146500 step time: 00:00:00.155266 Performance: 53.707 ns/day 0.447 hours/ns 3.108 steps/s 2024-05-08 07:22:53,170 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 149.85 -2219.2 16424 -18643 -18643 -0.00068575 -0.00076195 0.00034288 2.3909e+05 2024-05-08 07:23:09,200 INFO [main.py:798]
{rank 0/64} MD step = 146600 step time: 00:00:00.158009 Performance: 53.718 ns/day 0.447 hours/ns 3.109 steps/s 2024-05-08 07:23:16,351 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 149.33 -1959.9 16367 -18327 -18327 -0.00064766 -0.00064766 0.00072385 2.393e+05 2024-05-08 07:23:31,968 INFO [main.py:798]
{rank 0/64} MD step = 146700 step time: 00:00:00.164089 Performance: 53.729 ns/day 0.447 hours/ns 3.109 steps/s 2024-05-08 07:23:37,588 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 149.44 -2052.5 16379 -18431 -18431 -0.0007048 -0.00034288 0.00083814 2.3945e+05 2024-05-08 07:23:52,679 INFO [main.py:798]
{rank 0/64} MD step = 146800 step time: 00:00:00.141121 Performance: 53.742 ns/day 0.447 hours/ns 3.110 steps/s 2024-05-08 07:23:59,468 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 147.87 -2338.8 16207 -18546 -18546 -0.00063813 -0.00068575 0.00072385 2.3961e+05 2024-05-08 07:24:15,552 INFO [main.py:798]
{rank 0/64} MD step = 146900 step time: 00:00:00.152620 Performance: 53.752 ns/day 0.446 hours/ns 3.111 steps/s 2024-05-08 07:24:26,395 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 151.11 -1933.4 16562 -18495 -18495 -0.00072385 -0.00060956 0.00058099 2.3977e+05 2024-05-08 07:24:42,426 INFO [main.py:798]
{rank 0/64} MD step = 147000 step time: 00:00:00.150912 Performance: 53.758 ns/day 0.446 hours/ns 3.111 steps/s 2024-05-08 07:24:51,847 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 149.38 -2108.8 16372 -18481 -18481 -0.0004286 -0.00097148 0.00038097 2.3994e+05 2024-05-08 07:25:11,795 INFO [main.py:798]
{rank 0/64} MD step = 147100 step time: 00:00:00.158061 Performance: 53.762 ns/day 0.446 hours/ns 3.111 steps/s 2024-05-08 07:25:16,812 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 149.23 -2065.3 16355 -18421 -18421 -0.00085719 -0.00080005 0.00051431 2.4011e+05 2024-05-08 07:25:32,435 INFO [main.py:798]
{rank 0/64} MD step = 147200 step time: 00:00:00.156954 Performance: 53.775 ns/day 0.446 hours/ns 3.112 steps/s 2024-05-08 07:25:45,406 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 149.67 -1996.8 16404 -18401 -18401 -0.00083814 -0.00046669 0.00091434 2.4023e+05 2024-05-08 07:26:06,897 INFO [main.py:798]
{rank 0/64} MD step = 147300 step time: 00:00:00.154677 Performance: 53.772 ns/day 0.446 hours/ns 3.112 steps/s 2024-05-08 07:26:14,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147300 29460 151.19 -1876.1 16571 -18447 -18447 -0.00051431 -0.00077147 0.00064766 2.4043e+05 2024-05-08 07:26:31,163 INFO [main.py:798]
{rank 0/64} MD step = 147400 step time: 00:00:00.156753 Performance: 53.781 ns/day 0.446 hours/ns 3.112 steps/s 2024-05-08 07:26:38,284 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 149.58 -1991.1 16395 -18386 -18386 -0.00022858 -0.00060956 0.00038097 2.4054e+05 2024-05-08 07:26:54,216 INFO [main.py:798]
{rank 0/64} MD step = 147500 step time: 00:00:00.160894 Performance: 53.791 ns/day 0.446 hours/ns 3.113 steps/s 2024-05-08 07:27:01,621 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 150.88 -1868.9 16536 -18405 -18405 -0.00051431 -0.00068575 0.00068575 2.4067e+05 2024-05-08 07:27:17,251 INFO [main.py:798]
{rank 0/64} MD step = 147600 step time: 00:00:00.158902 Performance: 53.801 ns/day 0.446 hours/ns 3.114 steps/s 2024-05-08 07:27:24,060 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 150.15 -1963 16457 -18420 -18420 -0.00038097 -0.0006667 0.00030478 2.408e+05 2024-05-08 07:27:39,533 INFO [main.py:798]
{rank 0/64} MD step = 147700 step time: 00:00:00.157769 Performance: 53.813 ns/day 0.446 hours/ns 3.114 steps/s 2024-05-08 07:27:45,848 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 150.91 -1944.9 16540 -18485 -18485 -0.00061432 -0.00068575 0.00087624 2.4099e+05 2024-05-08 07:28:01,358 INFO [main.py:798]
{rank 0/64} MD step = 147800 step time: 00:00:00.150833 Performance: 53.824 ns/day 0.446 hours/ns 3.115 steps/s 2024-05-08 07:28:05,474 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 149.82 -1926.4 16420 -18347 -18347 -0.00038097 -0.00080957 0.00091434 2.4117e+05 2024-05-08 07:28:22,394 INFO [main.py:798]
{rank 0/64} MD step = 147900 step time: 00:00:00.164043 Performance: 53.837 ns/day 0.446 hours/ns 3.116 steps/s 2024-05-08 07:28:32,844 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 150.22 -1858 16464 -18322 -18322 -0.00038097 -0.00044764 0.00049527 2.4131e+05 2024-05-08 07:28:48,507 INFO [main.py:798]
{rank 0/64} MD step = 148000 step time: 00:00:00.155989 Performance: 53.844 ns/day 0.446 hours/ns 3.116 steps/s 2024-05-08 07:28:59,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148000 29600 148.78 -2193.2 16307 -18500 -18500 -0.00060956 -0.00036193 0.00079052 2.4145e+05 2024-05-08 07:29:15,394 INFO [main.py:798]
{rank 0/64} MD step = 148100 step time: 00:00:00.156383 Performance: 53.850 ns/day 0.446 hours/ns 3.116 steps/s 2024-05-08 07:29:22,607 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 151.2 -2040.8 16571 -18612 -18612 -0.00087624 -0.00060956 0.000781 2.4162e+05 2024-05-08 07:29:38,458 INFO [main.py:798]
{rank 0/64} MD step = 148200 step time: 00:00:00.160537 Performance: 53.860 ns/day 0.446 hours/ns 3.117 steps/s 2024-05-08 07:29:46,615 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 151.98 -1957.7 16658 -18615 -18615 -0.00087624 -0.00064766 0.00053336 2.4178e+05 2024-05-08 07:30:02,265 INFO [main.py:798]
{rank 0/64} MD step = 148300 step time: 00:00:00.157930 Performance: 53.869 ns/day 0.446 hours/ns 3.117 steps/s 2024-05-08 07:30:10,524 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 148.84 -2119.6 16313 -18433 -18433 -0.00051431 -0.00045717 0.00076195 2.4195e+05 2024-05-08 07:30:26,301 INFO [main.py:798]
{rank 0/64} MD step = 148400 step time: 00:00:00.177938 Performance: 53.878 ns/day 0.445 hours/ns 3.118 steps/s 2024-05-08 07:30:31,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148400 29680 148.95 -2234.9 16325 -18560 -18560 -0.00079052 -0.00076195 0.00051431 2.4209e+05 2024-05-08 07:30:49,412 INFO [main.py:798]
{rank 0/64} MD step = 148500 step time: 00:00:00.165402 Performance: 53.888 ns/day 0.445 hours/ns 3.119 steps/s 2024-05-08 07:30:58,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148500 29700 149.54 -1954.8 16390 -18345 -18345 -0.00062861 -0.00038097 0.00052384 2.4227e+05 2024-05-08 07:31:13,762 INFO [main.py:798]
{rank 0/64} MD step = 148600 step time: 00:00:00.152839 Performance: 53.897 ns/day 0.445 hours/ns 3.119 steps/s 2024-05-08 07:31:22,398 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 149.44 -1990.9 16379 -18369 -18369 -0.00045717 -0.0007429 0.00015715 2.424e+05 2024-05-08 07:31:37,768 INFO [main.py:798]
{rank 0/64} MD step = 148700 step time: 00:00:00.159941 Performance: 53.906 ns/day 0.445 hours/ns 3.120 steps/s 2024-05-08 07:31:45,754 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 152.85 -1506.5 16752 -18259 -18259 -0.00040002 -0.00041907 0.00053336 2.4259e+05 2024-05-08 07:32:01,092 INFO [main.py:798]
{rank 0/64} MD step = 148800 step time: 00:00:00.165707 Performance: 53.916 ns/day 0.445 hours/ns 3.120 steps/s 2024-05-08 07:32:08,771 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 151.63 -2034.1 16619 -18653 -18653 -0.00053336 -0.00038097 0.00076195 2.427e+05 2024-05-08 07:32:25,700 INFO [main.py:798]
{rank 0/64} MD step = 148900 step time: 00:00:00.145416 Performance: 53.924 ns/day 0.445 hours/ns 3.121 steps/s 2024-05-08 07:32:36,168 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 150.97 -1875.3 16547 -18422 -18422 -0.00072385 -0.00036193 0.00057146 2.429e+05 2024-05-08 07:32:51,983 INFO [main.py:798]
{rank 0/64} MD step = 149000 step time: 00:00:00.163139 Performance: 53.931 ns/day 0.445 hours/ns 3.121 steps/s 2024-05-08 07:32:59,380 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 150.57 -2008.3 16503 -18511 -18511 -0.00038097 -0.00049527 0.00081909 2.4307e+05 2024-05-08 07:33:13,332 INFO [main.py:798]
{rank 0/64} MD step = 149100 step time: 00:00:00.147245 Performance: 53.943 ns/day 0.445 hours/ns 3.122 steps/s 2024-05-08 07:33:36,303 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 148.94 -1677.5 16324 -18001 -18001 -0.00077147 -7.6195e-05 0.00080005 2.4326e+05 2024-05-08 07:33:52,462 INFO [main.py:798]
{rank 0/64} MD step = 149200 step time: 00:00:00.153535 Performance: 53.935 ns/day 0.445 hours/ns 3.121 steps/s 2024-05-08 07:33:59,193 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 151.16 -1898.3 16567 -18466 -18466 -0.00060956 -0.00081909 0.00041907 2.4338e+05 2024-05-08 07:34:15,234 INFO [main.py:798]
{rank 0/64} MD step = 149300 step time: 00:00:00.156122 Performance: 53.946 ns/day 0.445 hours/ns 3.122 steps/s 2024-05-08 07:34:19,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149300 29860 150.88 -1826.6 16536 -18363 -18363 -0.00093339 -0.00034288 0.000781 2.4356e+05 2024-05-08 07:34:37,856 INFO [main.py:798]
{rank 0/64} MD step = 149400 step time: 00:00:00.155582 Performance: 53.956 ns/day 0.445 hours/ns 3.122 steps/s 2024-05-08 07:34:45,436 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 151.79 -1675.9 16637 -18312 -18312 -0.00062861 -0.00026668 0.00045717 2.4382e+05 2024-05-08 07:34:59,916 INFO [main.py:798]
{rank 0/64} MD step = 149500 step time: 00:00:00.141361 Performance: 53.967 ns/day 0.445 hours/ns 3.123 steps/s 2024-05-08 07:35:08,818 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 148.26 -2404.5 16250 -18654 -18654 -0.00045717 -0.00072385 0.00076195 2.4394e+05 2024-05-08 07:35:24,576 INFO [main.py:798]
{rank 0/64} MD step = 149600 step time: 00:00:00.154892 Performance: 53.976 ns/day 0.445 hours/ns 3.124 steps/s 2024-05-08 07:35:30,663 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 148.36 -2213.8 16261 -18474 -18474 -0.00043812 -0.00063813 7.1433e-05 2.441e+05 2024-05-08 07:35:47,127 INFO [main.py:798]
{rank 0/64} MD step = 149700 step time: 00:00:00.153821 Performance: 53.986 ns/day 0.445 hours/ns 3.124 steps/s 2024-05-08 07:35:54,091 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 149.03 -2103.3 16334 -18437 -18437 -0.00063813 -0.00072385 0.00080005 2.4427e+05 2024-05-08 07:36:10,398 INFO [main.py:798]
{rank 0/64} MD step = 149800 step time: 00:00:00.144816 Performance: 53.996 ns/day 0.444 hours/ns 3.125 steps/s 2024-05-08 07:36:25,695 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 149.43 -1823.8 16378 -18201 -18201 -0.00053336 -0.00045717 0.00099053 2.4439e+05 2024-05-08 07:36:40,252 INFO [main.py:798]
{rank 0/64} MD step = 149900 step time: 00:00:00.143222 Performance: 53.999 ns/day 0.444 hours/ns 3.125 steps/s 2024-05-08 07:37:01,763 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 149.02 -2082.6 16332 -18415 -18415 -0.00083814 -0.00076195 0.00045717 2.4459e+05 2024-05-08 07:37:16,398 INFO [main.py:798]
{rank 0/64} MD step = 150000 step time: 00:00:00.137002 Performance: 53.994 ns/day 0.444 hours/ns 3.125 steps/s 2024-05-08 07:37:20,561 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 147.43 -2090.9 16158 -18249 -18249 -0.00081909 -0.00083814 0.00038097 2.4476e+05 2024-05-08 07:37:38,278 INFO [main.py:798]
{rank 0/64} MD step = 150100 step time: 00:00:00.152349 Performance: 54.005 ns/day 0.444 hours/ns 3.125 steps/s 2024-05-08 07:37:47,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150100 30020 149.07 -2224.2 16339 -18563 -18563 -0.00080005 -0.0007048 0.0011429 2.4496e+05 2024-05-08 07:38:03,571 INFO [main.py:798]
{rank 0/64} MD step = 150200 step time: 00:00:00.149013 Performance: 54.013 ns/day 0.444 hours/ns 3.126 steps/s 2024-05-08 07:38:09,327 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 151.12 -1786.8 16563 -18350 -18350 -0.00051908 -0.00055241 0.00068575 2.4511e+05 2024-05-08 07:38:25,405 INFO [main.py:798]
{rank 0/64} MD step = 150300 step time: 00:00:00.151691 Performance: 54.024 ns/day 0.444 hours/ns 3.126 steps/s 2024-05-08 07:38:31,507 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 152.9 -1770 16758 -18528 -18528 -0.00055241 -0.00099053 0.00072385 2.4524e+05 2024-05-08 07:38:48,906 INFO [main.py:798]
{rank 0/64} MD step = 150400 step time: 00:00:00.136786 Performance: 54.034 ns/day 0.444 hours/ns 3.127 steps/s 2024-05-08 07:38:57,351 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 149.72 -2208.8 16410 -18619 -18619 -0.00032383 -0.00077147 0.00064766 2.4539e+05 2024-05-08 07:39:13,727 INFO [main.py:798]
{rank 0/64} MD step = 150500 step time: 00:00:00.151865 Performance: 54.042 ns/day 0.444 hours/ns 3.127 steps/s 2024-05-08 07:39:17,484 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 149.89 -2070.6 16428 -18499 -18499 -0.00057146 -0.00068575 0.00083814 2.4556e+05 2024-05-08 07:39:35,244 INFO [main.py:798]
{rank 0/64} MD step = 150600 step time: 00:00:00.157457 Performance: 54.054 ns/day 0.444 hours/ns 3.128 steps/s 2024-05-08 07:39:40,773 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 149.53 -2229.7 16388 -18618 -18618 -0.00060956 -0.00076433 0.00026668 2.4573e+05 2024-05-08 07:39:56,736 INFO [main.py:798]
{rank 0/64} MD step = 150700 step time: 00:00:00.143018 Performance: 54.065 ns/day 0.444 hours/ns 3.129 steps/s 2024-05-08 07:40:04,093 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 148.19 -2482.7 16242 -18725 -18725 -0.00097148 -0.00072385 0.00099053 2.4588e+05 2024-05-08 07:40:20,288 INFO [main.py:798]
{rank 0/64} MD step = 150800 step time: 00:00:00.146996 Performance: 54.075 ns/day 0.444 hours/ns 3.129 steps/s 2024-05-08 07:40:26,138 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 148.22 -2316.4 16246 -18562 -18562 -0.00081909 -0.00083814 0.00047622 2.4604e+05 2024-05-08 07:40:42,095 INFO [main.py:798]
{rank 0/64} MD step = 150900 step time: 00:00:00.145788 Performance: 54.086 ns/day 0.444 hours/ns 3.130 steps/s 2024-05-08 07:40:47,491 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 149.72 -1812.7 16409 -18222 -18222 -0.00091434 -0.00095243 0.00045717 2.4621e+05 2024-05-08 07:41:03,771 INFO [main.py:798]
{rank 0/64} MD step = 151000 step time: 00:00:00.154178 Performance: 54.098 ns/day 0.444 hours/ns 3.131 steps/s 2024-05-08 07:41:09,928 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 149.8 -1928.7 16418 -18347 -18347 -0.00064766 -0.00072385 0.00061908 2.4641e+05 2024-05-08 07:41:24,867 INFO [main.py:798]
{rank 0/64} MD step = 151100 step time: 00:00:00.140789 Performance: 54.110 ns/day 0.444 hours/ns 3.131 steps/s 2024-05-08 07:41:30,916 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 150.03 -1928.9 16444 -18372 -18372 -0.00080005 -0.00015239 0.00076195 2.4657e+05 2024-05-08 07:41:46,744 INFO [main.py:798]
{rank 0/64} MD step = 151200 step time: 00:00:00.146812 Performance: 54.121 ns/day 0.443 hours/ns 3.132 steps/s 2024-05-08 07:41:52,390 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 151.65 -1793 16621 -18414 -18414 -0.00080005 -0.00060956 0.00085719 2.4668e+05 2024-05-08 07:42:08,299 INFO [main.py:798]
{rank 0/64} MD step = 151300 step time: 00:00:00.152310 Performance: 54.133 ns/day 0.443 hours/ns 3.133 steps/s 2024-05-08 07:42:13,762 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 149.22 -2016.5 16354 -18371 -18371 -0.00040002 -0.00072385 0.00028573 2.4693e+05 2024-05-08 07:42:31,106 INFO [main.py:798]
{rank 0/64} MD step = 151400 step time: 00:00:00.157306 Performance: 54.143 ns/day 0.443 hours/ns 3.133 steps/s 2024-05-08 07:42:36,808 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 151.24 -1832.6 16576 -18409 -18409 -0.00038097 -0.00030478 0.00038097 2.4708e+05 2024-05-08 07:42:52,615 INFO [main.py:798]
{rank 0/64} MD step = 151500 step time: 00:00:00.154144 Performance: 54.155 ns/day 0.443 hours/ns 3.134 steps/s 2024-05-08 07:43:06,904 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 150.13 -1970.7 16454 -18425 -18425 -0.00038097 -0.00086672 0.00072385 2.4726e+05 2024-05-08 07:43:22,779 INFO [main.py:798]
{rank 0/64} MD step = 151600 step time: 00:00:00.160976 Performance: 54.157 ns/day 0.443 hours/ns 3.134 steps/s 2024-05-08 07:43:29,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 30320 151 -2070.5 16550 -18621 -18621 -0.00053336 -0.00033335 0.00063813 2.4739e+05 2024-05-08 07:43:45,830 INFO [main.py:798]
{rank 0/64} MD step = 151700 step time: 00:00:00.157957 Performance: 54.166 ns/day 0.443 hours/ns 3.135 steps/s 2024-05-08 07:43:51,245 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 149.79 -1910.7 16417 -18328 -18328 -0.00061908 -0.00060956 0.00064766 2.4762e+05 2024-05-08 07:44:07,219 INFO [main.py:798]
{rank 0/64} MD step = 151800 step time: 00:00:00.157824 Performance: 54.178 ns/day 0.443 hours/ns 3.135 steps/s 2024-05-08 07:44:12,097 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 149.99 -1896 16439 -18335 -18335 -0.00038097 -0.00080005 0.00038097 2.4775e+05 2024-05-08 07:44:29,890 INFO [main.py:798]
{rank 0/64} MD step = 151900 step time: 00:00:00.151592 Performance: 54.188 ns/day 0.443 hours/ns 3.136 steps/s 2024-05-08 07:44:35,904 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 154.03 -1534.4 16882 -18417 -18417 -0.00093339 -0.00040002 0.00054289 2.4796e+05 2024-05-08 07:44:51,936 INFO [main.py:798]
{rank 0/64} MD step = 152000 step time: 00:00:00.154980 Performance: 54.199 ns/day 0.443 hours/ns 3.137 steps/s 2024-05-08 07:44:58,110 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 150.01 -1970.3 16442 -18412 -18412 -0.00060956 -0.00049527 0.00057146 2.4813e+05 2024-05-08 07:45:13,768 INFO [main.py:798]
{rank 0/64} MD step = 152100 step time: 00:00:00.152260 Performance: 54.211 ns/day 0.443 hours/ns 3.137 steps/s 2024-05-08 07:45:21,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152100 30420 152.55 -1622.1 16720 -18342 -18342 -0.00038097 -0.00087624 0.00045717 2.4829e+05 2024-05-08 07:45:37,058 INFO [main.py:798]
{rank 0/64} MD step = 152200 step time: 00:00:00.157631 Performance: 54.220 ns/day 0.443 hours/ns 3.138 steps/s 2024-05-08 07:45:44,268 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 150.91 -1868.3 16540 -18408 -18408 -0.00057146 -0.00057146 0.00053336 2.485e+05 2024-05-08 07:45:59,482 INFO [main.py:798]
{rank 0/64} MD step = 152300 step time: 00:00:00.146695 Performance: 54.231 ns/day 0.443 hours/ns 3.138 steps/s 2024-05-08 07:46:05,762 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 148.49 -2249.3 16274 -18524 -18524 -0.00028573 -0.00038097 0.00068575 2.4862e+05 2024-05-08 07:46:22,513 INFO [main.py:798]
{rank 0/64} MD step = 152400 step time: 00:00:00.149940 Performance: 54.241 ns/day 0.442 hours/ns 3.139 steps/s 2024-05-08 07:46:29,422 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 149.77 -2195.6 16415 -18611 -18611 -0.00067623 -0.00041907 0.00038097 2.4879e+05 2024-05-08 07:46:45,441 INFO [main.py:798]
{rank 0/64} MD step = 152500 step time: 00:00:00.149402 Performance: 54.251 ns/day 0.442 hours/ns 3.140 steps/s 2024-05-08 07:46:49,607 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 149.06 -2058.2 16337 -18395 -18395 -0.00095243 -0.00049527 0.00060956 2.4895e+05 2024-05-08 07:47:06,759 INFO [main.py:798]
{rank 0/64} MD step = 152600 step time: 00:00:00.150721 Performance: 54.262 ns/day 0.442 hours/ns 3.140 steps/s 2024-05-08 07:47:13,183 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 149.54 -1950.2 16390 -18340 -18340 -0.00080005 -0.00080005 0.00091434 2.4913e+05 2024-05-08 07:47:29,199 INFO [main.py:798]
{rank 0/64} MD step = 152700 step time: 00:00:00.150158 Performance: 54.273 ns/day 0.442 hours/ns 3.141 steps/s 2024-05-08 07:47:34,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152700 30540 149.61 -1897.4 16397 -18295 -18295 -0.00053336 -0.00041907 0.00076195 2.4925e+05 2024-05-08 07:47:50,422 INFO [main.py:798]
{rank 0/64} MD step = 152800 step time: 00:00:00.152925 Performance: 54.285 ns/day 0.442 hours/ns 3.141 steps/s 2024-05-08 07:47:56,192 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 149.7 -1956.5 16408 -18364 -18364 -0.00056194 -0.00049527 0.00081909 2.4942e+05 2024-05-08 07:48:12,454 INFO [main.py:798]
{rank 0/64} MD step = 152900 step time: 00:00:00.145541 Performance: 54.296 ns/day 0.442 hours/ns 3.142 steps/s 2024-05-08 07:48:17,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152900 30580 148.75 -2229.3 16303 -18533 -18533 -0.00057146 -0.00083814 0.00028573 2.4949e+05 2024-05-08 07:48:34,232 INFO [main.py:798]
{rank 0/64} MD step = 153000 step time: 00:00:00.159007 Performance: 54.307 ns/day 0.442 hours/ns 3.143 steps/s 2024-05-08 07:48:41,545 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 149.32 -2176 16366 -18542 -18542 -0.00045717 -0.00049527 0.00024763 2.4975e+05 2024-05-08 07:48:57,689 INFO [main.py:798]
{rank 0/64} MD step = 153100 step time: 00:00:00.161652 Performance: 54.316 ns/day 0.442 hours/ns 3.143 steps/s 2024-05-08 07:49:06,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153100 30620 151.27 -1704.7 16580 -18284 -18284 -0.000781 -0.0010286 0.00069528 2.4991e+05 2024-05-08 07:49:22,544 INFO [main.py:798]
{rank 0/64} MD step = 153200 step time: 00:00:00.155290 Performance: 54.324 ns/day 0.442 hours/ns 3.144 steps/s 2024-05-08 07:49:28,099 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 150.76 -1842.5 16524 -18366 -18366 -0.00064766 -0.00057146 0.00032383 2.5006e+05 2024-05-08 07:49:43,569 INFO [main.py:798]
{rank 0/64} MD step = 153300 step time: 00:00:00.161453 Performance: 54.336 ns/day 0.442 hours/ns 3.144 steps/s 2024-05-08 07:49:49,291 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 149.94 -2057.6 16433 -18491 -18491 -0.00088576 -0.00027144 0.00062861 2.502e+05 2024-05-08 07:50:04,960 INFO [main.py:798]
{rank 0/64} MD step = 153400 step time: 00:00:00.148782 Performance: 54.348 ns/day 0.442 hours/ns 3.145 steps/s 2024-05-08 07:50:10,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153400 30680 151.75 -1689.6 16632 -18321 -18321 -0.00085719 -0.00038097 0.00097148 2.504e+05 2024-05-08 07:50:25,961 INFO [main.py:798]
{rank 0/64} MD step = 153500 step time: 00:00:00.163819 Performance: 54.360 ns/day 0.442 hours/ns 3.146 steps/s 2024-05-08 07:50:31,943 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 150.63 -2079.2 16509 -18588 -18588 -0.00053336 -0.00041907 0.00049527 2.5055e+05 2024-05-08 07:50:47,929 INFO [main.py:798]
{rank 0/64} MD step = 153600 step time: 00:00:00.154912 Performance: 54.371 ns/day 0.441 hours/ns 3.146 steps/s 2024-05-08 07:50:53,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153600 30720 152.58 -1709.8 16723 -18433 -18433 -0.00038097 -0.00059051 0.00079052 2.5073e+05 2024-05-08 07:51:10,125 INFO [main.py:798]
{rank 0/64} MD step = 153700 step time: 00:00:00.165005 Performance: 54.381 ns/day 0.441 hours/ns 3.147 steps/s 2024-05-08 07:51:19,859 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 149.99 -2073.5 16439 -18513 -18513 -0.00049527 -0.00057622 0.00032383 2.5086e+05 2024-05-08 07:51:36,050 INFO [main.py:798]
{rank 0/64} MD step = 153800 step time: 00:00:00.158186 Performance: 54.388 ns/day 0.441 hours/ns 3.147 steps/s 2024-05-08 07:51:53,094 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 150.1 -2081.8 16451 -18532 -18532 -0.00072385 -0.00049527 0.00030478 2.5099e+05 2024-05-08 07:52:15,620 INFO [main.py:798]
{rank 0/64} MD step = 153900 step time: 00:00:00.163266 Performance: 54.379 ns/day 0.441 hours/ns 3.147 steps/s 2024-05-08 07:52:23,218 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 152.67 -1644.8 16733 -18378 -18378 -0.00062861 -0.00038097 0.00026668 2.5118e+05 2024-05-08 07:52:38,850 INFO [main.py:798]
{rank 0/64} MD step = 154000 step time: 00:00:00.161551 Performance: 54.389 ns/day 0.441 hours/ns 3.147 steps/s 2024-05-08 07:52:45,176 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 151.47 -1763 16602 -18365 -18365 -0.00045717 -0.00082862 0.00079052 2.5134e+05 2024-05-08 07:53:00,920 INFO [main.py:798]
{rank 0/64} MD step = 154100 step time: 00:00:00.160056 Performance: 54.399 ns/day 0.441 hours/ns 3.148 steps/s 2024-05-08 07:53:07,542 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 147.12 -2124.9 16124 -18249 -18249 -0.00045717 -0.00060956 0.00034764 2.5149e+05 2024-05-08 07:53:24,753 INFO [main.py:798]
{rank 0/64} MD step = 154200 step time: 00:00:00.155410 Performance: 54.408 ns/day 0.441 hours/ns 3.149 steps/s 2024-05-08 07:53:29,959 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 149.12 -1963.4 16344 -18308 -18308 -0.00032383 -0.00095243 0.00045717 2.5166e+05 2024-05-08 07:53:45,768 INFO [main.py:798]
{rank 0/64} MD step = 154300 step time: 00:00:00.155520 Performance: 54.420 ns/day 0.441 hours/ns 3.149 steps/s 2024-05-08 07:53:51,618 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 149.35 -1687.3 16369 -18057 -18057 -0.00045717 -0.00038097 0.00049527 2.5183e+05 2024-05-08 07:54:07,657 INFO [main.py:798]
{rank 0/64} MD step = 154400 step time: 00:00:00.157560 Performance: 54.431 ns/day 0.441 hours/ns 3.150 steps/s 2024-05-08 07:54:12,960 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 150.98 -1785.8 16548 -18334 -18334 -0.00072385 -0.00045717 0.00061908 2.5196e+05 2024-05-08 07:54:28,681 INFO [main.py:798]
{rank 0/64} MD step = 154500 step time: 00:00:00.159166 Performance: 54.443 ns/day 0.441 hours/ns 3.151 steps/s 2024-05-08 07:54:35,709 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 150.65 -1768.9 16511 -18280 -18280 -0.00076195 -0.00051431 0.0007048 2.5212e+05 2024-05-08 07:54:51,016 INFO [main.py:798]
{rank 0/64} MD step = 154600 step time: 00:00:00.157065 Performance: 54.453 ns/day 0.441 hours/ns 3.151 steps/s 2024-05-08 07:55:01,400 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 150.22 -2049.8 16465 -18514 -18514 -0.00067623 -0.00072385 0.00072385 2.5229e+05 2024-05-08 07:55:15,951 INFO [main.py:798]
{rank 0/64} MD step = 154700 step time: 00:00:00.148933 Performance: 54.461 ns/day 0.441 hours/ns 3.152 steps/s 2024-05-08 07:55:21,986 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 151.7 -1755.8 16626 -18382 -18382 -0.00062861 -0.00057146 0.00053336 2.5248e+05 2024-05-08 07:55:39,329 INFO [main.py:798]
{rank 0/64} MD step = 154800 step time: 00:00:00.155559 Performance: 54.470 ns/day 0.441 hours/ns 3.152 steps/s 2024-05-08 07:55:45,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154800 30960 150.06 -1948.3 16447 -18395 -18395 -0.00071433 -0.00080005 0.00059051 2.5265e+05 2024-05-08 07:56:01,226 INFO [main.py:798]
{rank 0/64} MD step = 154900 step time: 00:00:00.145726 Performance: 54.481 ns/day 0.441 hours/ns 3.153 steps/s 2024-05-08 07:56:08,329 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 151.23 -1853.1 16575 -18429 -18429 -0.00046669 -0.00055241 0.00049527 2.5282e+05 2024-05-08 07:56:24,337 INFO [main.py:798]
{rank 0/64} MD step = 155000 step time: 00:00:00.157812 Performance: 54.491 ns/day 0.440 hours/ns 3.153 steps/s 2024-05-08 07:56:29,896 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 149.5 -1848.3 16385 -18233 -18233 -0.00064766 -0.00018096 0.00053336 2.5297e+05 2024-05-08 07:56:45,432 INFO [main.py:798]
{rank 0/64} MD step = 155100 step time: 00:00:00.160278 Performance: 54.502 ns/day 0.440 hours/ns 3.154 steps/s 2024-05-08 07:56:52,449 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 149.69 -2113.2 16406 -18519 -18519 -0.00099053 -0.00047622 0.00059051 2.5312e+05 2024-05-08 07:57:08,135 INFO [main.py:798]
{rank 0/64} MD step = 155200 step time: 00:00:00.161393 Performance: 54.512 ns/day 0.440 hours/ns 3.155 steps/s 2024-05-08 07:57:15,504 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 147.61 -2264.2 16179 -18443 -18443 -0.00087624 -0.0006667 0.00029525 2.533e+05 2024-05-08 07:57:32,419 INFO [main.py:798]
{rank 0/64} MD step = 155300 step time: 00:00:00.167613 Performance: 54.521 ns/day 0.440 hours/ns 3.155 steps/s 2024-05-08 07:57:38,222 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 150.97 -1843.3 16547 -18390 -18390 -0.00064766 -0.00034288 0.00064766 2.5348e+05 2024-05-08 07:57:53,769 INFO [main.py:798]
{rank 0/64} MD step = 155400 step time: 00:00:00.159415 Performance: 54.532 ns/day 0.440 hours/ns 3.156 steps/s 2024-05-08 07:58:00,856 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 150.83 -1952.3 16531 -18483 -18483 -0.00083814 -0.00079052 0.00049527 2.5366e+05 2024-05-08 07:58:16,682 INFO [main.py:798]
{rank 0/64} MD step = 155500 step time: 00:00:00.155150 Performance: 54.542 ns/day 0.440 hours/ns 3.156 steps/s 2024-05-08 07:58:23,219 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 149.37 -1973.4 16372 -18345 -18345 -0.00087624 -0.00091434 0.00038097 2.5384e+05 2024-05-08 07:58:38,918 INFO [main.py:798]
{rank 0/64} MD step = 155600 step time: 00:00:00.158903 Performance: 54.552 ns/day 0.440 hours/ns 3.157 steps/s 2024-05-08 07:58:44,204 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 150.02 -2153.2 16442 -18596 -18596 -0.00060956 -0.00056194 0.00071433 2.5396e+05 2024-05-08 07:59:00,155 INFO [main.py:798]
{rank 0/64} MD step = 155700 step time: 00:00:00.151615 Performance: 54.564 ns/day 0.440 hours/ns 3.158 steps/s 2024-05-08 07:59:05,862 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 149.44 -2156.5 16379 -18535 -18535 -0.00064766 -0.00049527 0.00080005 2.5414e+05 2024-05-08 07:59:21,143 INFO [main.py:798]
{rank 0/64} MD step = 155800 step time: 00:00:00.144778 Performance: 54.576 ns/day 0.440 hours/ns 3.158 steps/s 2024-05-08 07:59:26,928 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 148.54 -2344.7 16280 -18625 -18625 -0.00076195 -0.00051431 0.00041907 2.5428e+05 2024-05-08 07:59:42,929 INFO [main.py:798]
{rank 0/64} MD step = 155900 step time: 00:00:00.148837 Performance: 54.587 ns/day 0.440 hours/ns 3.159 steps/s 2024-05-08 07:59:50,308 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 149.92 -1956.7 16431 -18388 -18388 -0.00041907 -0.00082862 0.00087624 2.5449e+05 2024-05-08 08:00:05,963 INFO [main.py:798]
{rank 0/64} MD step = 156000 step time: 00:00:00.149267 Performance: 54.596 ns/day 0.440 hours/ns 3.159 steps/s 2024-05-08 08:00:12,858 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 147.52 -2233.2 16168 -18401 -18401 -0.00053336 -0.0008429 0.00072385 2.5464e+05 2024-05-08 08:00:28,535 INFO [main.py:798]
{rank 0/64} MD step = 156100 step time: 00:00:00.154245 Performance: 54.606 ns/day 0.440 hours/ns 3.160 steps/s 2024-05-08 08:00:35,015 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 149.38 -2017.8 16373 -18390 -18390 -0.00080005 -0.00034288 0.00043812 2.548e+05 2024-05-08 08:00:50,465 INFO [main.py:798]
{rank 0/64} MD step = 156200 step time: 00:00:00.155559 Performance: 54.617 ns/day 0.439 hours/ns 3.161 steps/s 2024-05-08 08:00:57,500 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 150.01 -2035.5 16441 -18477 -18477 -0.0010667 -0.00080957 0.00053336 2.5495e+05 2024-05-08 08:01:13,410 INFO [main.py:798]
{rank 0/64} MD step = 156300 step time: 00:00:00.158296 Performance: 54.626 ns/day 0.439 hours/ns 3.161 steps/s 2024-05-08 08:01:18,539 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 148.93 -1870.6 16322 -18193 -18193 -0.0010667 -0.00030478 0.00076195 2.5513e+05 2024-05-08 08:01:34,692 INFO [main.py:798]
{rank 0/64} MD step = 156400 step time: 00:00:00.165493 Performance: 54.638 ns/day 0.439 hours/ns 3.162 steps/s 2024-05-08 08:01:39,954 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 149.97 -1910.9 16437 -18348 -18348 -0.00062861 -0.00022858 0.00049527 2.5527e+05 2024-05-08 08:01:56,012 INFO [main.py:798]
{rank 0/64} MD step = 156500 step time: 00:00:00.159462 Performance: 54.649 ns/day 0.439 hours/ns 3.163 steps/s 2024-05-08 08:02:02,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156500 31300 150.43 -1833.9 16487 -18321 -18321 -0.00062384 -0.00051431 0.00091434 2.5546e+05 2024-05-08 08:02:18,579 INFO [main.py:798]
{rank 0/64} MD step = 156600 step time: 00:00:00.158512 Performance: 54.659 ns/day 0.439 hours/ns 3.163 steps/s 2024-05-08 08:02:25,202 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 147.8 -1908.6 16199 -18107 -18107 -0.00076195 -0.00076195 0.00076195 2.5561e+05 2024-05-08 08:02:41,150 INFO [main.py:798]
{rank 0/64} MD step = 156700 step time: 00:00:00.159995 Performance: 54.669 ns/day 0.439 hours/ns 3.164 steps/s 2024-05-08 08:02:46,995 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 149.32 -2066 16365 -18431 -18431 -0.00083814 -0.00038097 0.00089529 2.5575e+05 2024-05-08 08:03:03,080 INFO [main.py:798]
{rank 0/64} MD step = 156800 step time: 00:00:00.161984 Performance: 54.680 ns/day 0.439 hours/ns 3.164 steps/s 2024-05-08 08:03:08,800 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 152.15 -1767.1 16676 -18443 -18443 -0.00091434 -0.00064766 0.00059527 2.5595e+05 2024-05-08 08:03:24,808 INFO [main.py:798]
{rank 0/64} MD step = 156900 step time: 00:00:00.151790 Performance: 54.691 ns/day 0.439 hours/ns 3.165 steps/s 2024-05-08 08:03:30,127 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 152.86 -1650.3 16754 -18405 -18405 -0.00053336 -0.00043812 0.00064766 2.561e+05 2024-05-08 08:03:45,877 INFO [main.py:798]
{rank 0/64} MD step = 157000 step time: 00:00:00.159078 Performance: 54.702 ns/day 0.439 hours/ns 3.166 steps/s 2024-05-08 08:03:51,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157000 31400 149.78 -1860.9 16416 -18276 -18276 -0.00099053 -0.00083814 0.00022858 2.5628e+05 2024-05-08 08:04:07,004 INFO [main.py:798]
{rank 0/64} MD step = 157100 step time: 00:00:00.161052 Performance: 54.714 ns/day 0.439 hours/ns 3.166 steps/s 2024-05-08 08:04:13,010 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 149.17 -2080.9 16349 -18430 -18430 -0.00040002 -0.00079052 0.00091434 2.5644e+05 2024-05-08 08:04:28,242 INFO [main.py:798]
{rank 0/64} MD step = 157200 step time: 00:00:00.144182 Performance: 54.725 ns/day 0.439 hours/ns 3.167 steps/s 2024-05-08 08:04:33,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157200 31440 148.95 -2108.2 16326 -18434 -18434 -0.00022858 -0.00041907 0.00026668 2.5659e+05 2024-05-08 08:04:49,524 INFO [main.py:798]
{rank 0/64} MD step = 157300 step time: 00:00:00.154262 Performance: 54.737 ns/day 0.438 hours/ns 3.168 steps/s 2024-05-08 08:04:55,774 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 149.58 -2122.3 16394 -18516 -18516 -0.00029525 -0.0003905 0.00072385 2.5679e+05 2024-05-08 08:05:11,983 INFO [main.py:798]
{rank 0/64} MD step = 157400 step time: 00:00:00.153427 Performance: 54.747 ns/day 0.438 hours/ns 3.168 steps/s 2024-05-08 08:05:15,442 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 150.75 -1782.7 16522 -18305 -18305 -0.00091434 -0.00028573 0.00060956 2.5697e+05 2024-05-08 08:05:33,411 INFO [main.py:798]
{rank 0/64} MD step = 157500 step time: 00:00:00.158783 Performance: 54.758 ns/day 0.438 hours/ns 3.169 steps/s 2024-05-08 08:05:39,200 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 151.2 -1816.6 16572 -18388 -18388 -0.00064766 -0.00064766 0.00060956 2.571e+05 2024-05-08 08:05:55,475 INFO [main.py:798]
{rank 0/64} MD step = 157600 step time: 00:00:00.170604 Performance: 54.768 ns/day 0.438 hours/ns 3.169 steps/s 2024-05-08 08:06:01,784 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 149.45 -1990.1 16380 -18370 -18370 -0.00072385 -0.00057146 0.00095243 2.5729e+05 2024-05-08 08:06:17,978 INFO [main.py:798]
{rank 0/64} MD step = 157700 step time: 00:00:00.160005 Performance: 54.778 ns/day 0.438 hours/ns 3.170 steps/s 2024-05-08 08:06:23,047 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 150.19 -2051.2 16461 -18513 -18513 -0.00080005 -0.00068575 0.00043812 2.5744e+05 2024-05-08 08:06:39,455 INFO [main.py:798]
{rank 0/64} MD step = 157800 step time: 00:00:00.166248 Performance: 54.789 ns/day 0.438 hours/ns 3.171 steps/s 2024-05-08 08:06:46,118 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 149.48 -2157.9 16383 -18541 -18541 -0.00095243 -0.00057146 0.00058099 2.5756e+05 2024-05-08 08:07:02,432 INFO [main.py:798]
{rank 0/64} MD step = 157900 step time: 00:00:00.157870 Performance: 54.799 ns/day 0.438 hours/ns 3.171 steps/s 2024-05-08 08:07:09,212 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 151.68 -1807.4 16624 -18432 -18432 -0.00053336 -0.00076195 0.00072385 2.5771e+05 2024-05-08 08:07:25,414 INFO [main.py:798]
{rank 0/64} MD step = 158000 step time: 00:00:00.157901 Performance: 54.808 ns/day 0.438 hours/ns 3.172 steps/s 2024-05-08 08:07:31,156 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 150.79 -1879.9 16527 -18407 -18407 -0.00085719 -0.0007048 0.00076195 2.5789e+05 2024-05-08 08:07:46,378 INFO [main.py:798]
{rank 0/64} MD step = 158100 step time: 00:00:00.152568 Performance: 54.820 ns/day 0.438 hours/ns 3.172 steps/s 2024-05-08 08:07:53,117 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 152.5 -1605.3 16714 -18319 -18319 -0.00064766 -0.00083814 0.00069528 2.5804e+05 2024-05-08 08:08:08,015 INFO [main.py:798]
{rank 0/64} MD step = 158200 step time: 00:00:00.159820 Performance: 54.831 ns/day 0.438 hours/ns 3.173 steps/s 2024-05-08 08:08:14,685 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 152.03 -1763.2 16662 -18425 -18425 -0.00083814 -0.00060956 0.00077147 2.582e+05 2024-05-08 08:08:29,434 INFO [main.py:798]
{rank 0/64} MD step = 158300 step time: 00:00:00.144208 Performance: 54.842 ns/day 0.438 hours/ns 3.174 steps/s 2024-05-08 08:08:34,051 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 150.14 -2160.9 16455 -18616 -18616 -0.00052384 -0.00034288 0.00046193 2.5843e+05 2024-05-08 08:08:50,237 INFO [main.py:798]
{rank 0/64} MD step = 158400 step time: 00:00:00.157227 Performance: 54.854 ns/day 0.438 hours/ns 3.174 steps/s 2024-05-08 08:08:56,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158400 31680 150.33 -2022.8 16477 -18500 -18500 -0.00072385 -0.00060956 0.00028573 2.5859e+05 2024-05-08 08:09:11,347 INFO [main.py:798]
{rank 0/64} MD step = 158500 step time: 00:00:00.163557 Performance: 54.865 ns/day 0.437 hours/ns 3.175 steps/s 2024-05-08 08:09:17,077 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 150.06 -1965.1 16446 -18411 -18411 -0.0007048 -0.00027621 0.00068575 2.587e+05 2024-05-08 08:09:33,245 INFO [main.py:798]
{rank 0/64} MD step = 158600 step time: 00:00:00.163722 Performance: 54.876 ns/day 0.437 hours/ns 3.176 steps/s 2024-05-08 08:09:50,851 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 149.15 -1993.3 16347 -18340 -18340 -0.00049527 -0.00059051 0.00065718 2.5883e+05 2024-05-08 08:10:08,336 INFO [main.py:798]
{rank 0/64} MD step = 158700 step time: 00:00:00.166929 Performance: 54.872 ns/day 0.437 hours/ns 3.175 steps/s 2024-05-08 08:10:12,681 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 151.27 -1782.2 16580 -18362 -18362 -0.00087624 -0.00055241 0.00037145 2.5901e+05 2024-05-08 08:10:30,137 INFO [main.py:798]
{rank 0/64} MD step = 158800 step time: 00:00:00.176974 Performance: 54.882 ns/day 0.437 hours/ns 3.176 steps/s 2024-05-08 08:10:36,553 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 152.18 -1546.1 16679 -18225 -18225 -0.00072385 -0.000781 0.00091434 2.5912e+05 2024-05-08 08:10:52,240 INFO [main.py:798]
{rank 0/64} MD step = 158900 step time: 00:00:00.176474 Performance: 54.892 ns/day 0.437 hours/ns 3.177 steps/s 2024-05-08 08:10:57,875 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 151.18 -1936 16570 -18506 -18506 -0.00064766 -0.0007429 0.00081909 2.593e+05 2024-05-08 08:11:13,582 INFO [main.py:798]
{rank 0/64} MD step = 159000 step time: 00:00:00.170546 Performance: 54.904 ns/day 0.437 hours/ns 3.177 steps/s 2024-05-08 08:11:19,767 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 148.77 -2085.7 16305 -18391 -18391 -0.00077147 -0.00087624 0.00055241 2.5946e+05 2024-05-08 08:11:35,482 INFO [main.py:798]
{rank 0/64} MD step = 159100 step time: 00:00:00.180198 Performance: 54.914 ns/day 0.437 hours/ns 3.178 steps/s 2024-05-08 08:11:40,885 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 150.68 -1920.1 16514 -18434 -18434 -0.00072385 -0.00087624 0.00053336 2.5963e+05 2024-05-08 08:11:56,949 INFO [main.py:798]
{rank 0/64} MD step = 159200 step time: 00:00:00.167789 Performance: 54.925 ns/day 0.437 hours/ns 3.179 steps/s 2024-05-08 08:12:01,027 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 150.23 -1993.4 16465 -18459 -18459 -0.00053336 -0.00076195 0.00057146 2.5979e+05 2024-05-08 08:12:17,827 INFO [main.py:798]
{rank 0/64} MD step = 159300 step time: 00:00:00.141769 Performance: 54.937 ns/day 0.437 hours/ns 3.179 steps/s 2024-05-08 08:12:23,843 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 152.86 -1688.2 16753 -18441 -18441 -0.00058099 -0.00038097 0.00051431 2.5993e+05 2024-05-08 08:12:39,377 INFO [main.py:798]
{rank 0/64} MD step = 159400 step time: 00:00:00.151239 Performance: 54.948 ns/day 0.437 hours/ns 3.180 steps/s 2024-05-08 08:12:47,944 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 149.23 -1874 16355 -18229 -18229 -0.00076195 -0.00083814 0.00060956 2.6011e+05 2024-05-08 08:13:03,176 INFO [main.py:798]
{rank 0/64} MD step = 159500 step time: 00:00:00.143811 Performance: 54.956 ns/day 0.437 hours/ns 3.180 steps/s 2024-05-08 08:13:14,415 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 151 -1910.6 16550 -18460 -18460 -0.00095243 -0.00049527 0.00038097 2.602e+05 2024-05-08 08:13:29,149 INFO [main.py:798]
{rank 0/64} MD step = 159600 step time: 00:00:00.161994 Performance: 54.962 ns/day 0.437 hours/ns 3.181 steps/s 2024-05-08 08:13:36,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159600 31920 149.33 -2134.5 16367 -18502 -18502 -0.0010096 -0.00028097 0.00081909 2.6032e+05 2024-05-08 08:13:51,470 INFO [main.py:798]
{rank 0/64} MD step = 159700 step time: 00:00:00.137821 Performance: 54.972 ns/day 0.437 hours/ns 3.181 steps/s 2024-05-08 08:13:58,428 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 148.46 -2295 16272 -18567 -18567 -0.00073337 -0.00080005 0.00057146 2.605e+05 2024-05-08 08:14:13,251 INFO [main.py:798]
{rank 0/64} MD step = 159800 step time: 00:00:00.153206 Performance: 54.982 ns/day 0.437 hours/ns 3.182 steps/s 2024-05-08 08:14:19,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159800 31960 151.22 -2020.7 16573 -18594 -18594 -0.00059051 -0.00059051 7.6195e-05 2.6068e+05 2024-05-08 08:14:35,593 INFO [main.py:798]
{rank 0/64} MD step = 159900 step time: 00:00:00.152018 Performance: 54.992 ns/day 0.436 hours/ns 3.182 steps/s 2024-05-08 08:14:42,183 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 152.33 -1831.9 16695 -18527 -18527 -0.00041907 -0.00080005 0.00057146 2.6087e+05 2024-05-08 08:14:58,548 INFO [main.py:798]
{rank 0/64} MD step = 160000 step time: 00:00:00.148243 Performance: 55.002 ns/day 0.436 hours/ns 3.183 steps/s 2024-05-08 08:15:05,539 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 149.02 -2375.4 16333 -18708 -18708 -0.00038097 -0.00087624 0.00045717 2.6102e+05 2024-05-08 08:15:21,670 INFO [main.py:798]
{rank 0/64} MD step = 160100 step time: 00:00:00.153602 Performance: 55.011 ns/day 0.436 hours/ns 3.183 steps/s 2024-05-08 08:15:28,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160100 32020 149.65 -1877.6 16401 -18279 -18279 -0.00038097 -0.0010286 0.00059051 2.6123e+05 2024-05-08 08:15:45,016 INFO [main.py:798]
{rank 0/64} MD step = 160200 step time: 00:00:00.158087 Performance: 55.020 ns/day 0.436 hours/ns 3.184 steps/s 2024-05-08 08:15:50,773 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 149.57 -2025.8 16393 -18418 -18418 -0.00030478 -0.00030478 0.0007048 2.6137e+05 2024-05-08 08:16:06,906 INFO [main.py:798]
{rank 0/64} MD step = 160300 step time: 00:00:00.158429 Performance: 55.030 ns/day 0.436 hours/ns 3.185 steps/s 2024-05-08 08:16:12,768 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 149.54 -2200.9 16389 -18590 -18590 -0.00055241 -0.00047622 0.00022858 2.6153e+05 2024-05-08 08:16:28,669 INFO [main.py:798]
{rank 0/64} MD step = 160400 step time: 00:00:00.154672 Performance: 55.040 ns/day 0.436 hours/ns 3.185 steps/s 2024-05-08 08:16:35,387 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 147.94 -2409.3 16214 -18624 -18624 -0.00080481 -0.00072385 0.00036193 2.6167e+05 2024-05-08 08:16:51,292 INFO [main.py:798]
{rank 0/64} MD step = 160500 step time: 00:00:00.157409 Performance: 55.050 ns/day 0.436 hours/ns 3.186 steps/s 2024-05-08 08:16:59,156 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 150.89 -1968.5 16538 -18507 -18507 -0.00076195 -0.00053336 0.00054289 2.6184e+05 2024-05-08 08:17:14,877 INFO [main.py:798]
{rank 0/64} MD step = 160600 step time: 00:00:00.156668 Performance: 55.059 ns/day 0.436 hours/ns 3.186 steps/s 2024-05-08 08:17:18,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160600 32120 149.68 -1870.9 16405 -18276 -18276 -0.00053336 -0.00091434 0.00077147 2.6204e+05 2024-05-08 08:17:35,785 INFO [main.py:798]
{rank 0/64} MD step = 160700 step time: 00:00:00.153946 Performance: 55.070 ns/day 0.436 hours/ns 3.187 steps/s 2024-05-08 08:17:42,786 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 151.46 -1766.1 16600 -18366 -18366 -0.00038097 -0.00053336 0.00041907 2.6216e+05 2024-05-08 08:17:58,953 INFO [main.py:798]
{rank 0/64} MD step = 160800 step time: 00:00:00.153430 Performance: 55.079 ns/day 0.436 hours/ns 3.187 steps/s 2024-05-08 08:18:04,785 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 147.62 -2214 16179 -18393 -18393 -0.00099053 -0.00099053 0.00013334 2.6232e+05 2024-05-08 08:18:19,298 INFO [main.py:798]
{rank 0/64} MD step = 160900 step time: 00:00:00.151081 Performance: 55.091 ns/day 0.436 hours/ns 3.188 steps/s 2024-05-08 08:18:24,538 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 150.22 -1948.3 16464 -18413 -18413 -0.00085719 -0.00030478 0.00082862 2.6245e+05 2024-05-08 08:18:40,801 INFO [main.py:798]
{rank 0/64} MD step = 161000 step time: 00:00:00.158175 Performance: 55.102 ns/day 0.436 hours/ns 3.189 steps/s 2024-05-08 08:18:46,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161000 32200 147.72 -2329.6 16190 -18520 -18520 -0.00068575 -0.00087624 0.00080005 2.6257e+05 2024-05-08 08:19:02,652 INFO [main.py:798]
{rank 0/64} MD step = 161100 step time: 00:00:00.151868 Performance: 55.112 ns/day 0.435 hours/ns 3.189 steps/s 2024-05-08 08:19:07,869 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 150.66 -1959.6 16513 -18472 -18472 -0.00045717 -0.00045717 0.00019049 2.6271e+05 2024-05-08 08:19:24,170 INFO [main.py:798]
{rank 0/64} MD step = 161200 step time: 00:00:00.155740 Performance: 55.123 ns/day 0.435 hours/ns 3.190 steps/s 2024-05-08 08:19:30,297 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 148.62 -2299.3 16289 -18589 -18589 -0.00041907 -0.00093339 0.00053336 2.6283e+05 2024-05-08 08:19:46,428 INFO [main.py:798]
{rank 0/64} MD step = 161300 step time: 00:00:00.156708 Performance: 55.133 ns/day 0.435 hours/ns 3.191 steps/s 2024-05-08 08:19:51,824 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 151.08 -1960.6 16558 -18519 -18519 -0.00060956 -0.00044764 0.00038097 2.6303e+05 2024-05-08 08:20:08,124 INFO [main.py:798]
{rank 0/64} MD step = 161400 step time: 00:00:00.146885 Performance: 55.143 ns/day 0.435 hours/ns 3.191 steps/s 2024-05-08 08:20:13,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161400 32280 150.19 -1917 16461 -18378 -18378 -0.00083814 -0.00053336 0.0007048 2.6319e+05 2024-05-08 08:20:30,401 INFO [main.py:798]
{rank 0/64} MD step = 161500 step time: 00:00:00.162336 Performance: 55.153 ns/day 0.435 hours/ns 3.192 steps/s 2024-05-08 08:20:35,431 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 149.98 -2197.7 16438 -18635 -18635 -0.00076195 -0.00089529 0.0010286 2.6333e+05 2024-05-08 08:20:51,958 INFO [main.py:798]
{rank 0/64} MD step = 161600 step time: 00:00:00.159980 Performance: 55.164 ns/day 0.435 hours/ns 3.192 steps/s 2024-05-08 08:20:56,962 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 152.84 -1958.8 16752 -18710 -18710 -0.00046669 -0.00060956 0.00034288 2.635e+05 2024-05-08 08:21:13,106 INFO [main.py:798]
{rank 0/64} MD step = 161700 step time: 00:00:00.157907 Performance: 55.175 ns/day 0.435 hours/ns 3.193 steps/s 2024-05-08 08:21:18,130 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 149.54 -2462.7 16390 -18853 -18853 -0.00093339 -0.00087624 0.00062861 2.6371e+05 2024-05-08 08:21:34,179 INFO [main.py:798]
{rank 0/64} MD step = 161800 step time: 00:00:00.158049 Performance: 55.186 ns/day 0.435 hours/ns 3.194 steps/s 2024-05-08 08:21:40,177 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 150.54 -1955.2 16499 -18454 -18454 -0.00068575 -0.00058575 0.00030478 2.6393e+05 2024-05-08 08:21:55,904 INFO [main.py:798]
{rank 0/64} MD step = 161900 step time: 00:00:00.154651 Performance: 55.197 ns/day 0.435 hours/ns 3.194 steps/s 2024-05-08 08:22:01,538 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 150.95 -2179.6 16544 -18724 -18724 -0.00091434 -0.00060956 0.00056194 2.6408e+05 2024-05-08 08:22:16,543 INFO [main.py:798]
{rank 0/64} MD step = 162000 step time: 00:00:00.170933 Performance: 55.208 ns/day 0.435 hours/ns 3.195 steps/s 2024-05-08 08:22:23,197 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 150.72 -2307.4 16519 -18827 -18827 -0.00062861 -0.00050479 0.00030478 2.6425e+05 2024-05-08 08:22:37,686 INFO [main.py:798]
{rank 0/64} MD step = 162100 step time: 00:00:00.153479 Performance: 55.219 ns/day 0.435 hours/ns 3.196 steps/s 2024-05-08 08:22:45,295 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 147.6 -2231.9 16177 -18409 -18409 -0.00026668 -0.00076195 0.00091434 2.6444e+05 2024-05-08 08:23:01,164 INFO [main.py:798]
{rank 0/64} MD step = 162200 step time: 00:00:00.154908 Performance: 55.228 ns/day 0.435 hours/ns 3.196 steps/s 2024-05-08 08:23:06,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162200 32440 149.73 -2086.4 16410 -18497 -18497 -0.00083814 -0.00030478 0.0006667 2.6461e+05 2024-05-08 08:23:23,007 INFO [main.py:798]
{rank 0/64} MD step = 162300 step time: 00:00:00.149077 Performance: 55.238 ns/day 0.434 hours/ns 3.197 steps/s 2024-05-08 08:23:28,026 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 152.29 -1618.4 16691 -18310 -18310 -0.00053336 -0.00080005 0.0006667 2.648e+05 2024-05-08 08:23:44,265 INFO [main.py:798]
{rank 0/64} MD step = 162400 step time: 00:00:00.152415 Performance: 55.249 ns/day 0.434 hours/ns 3.197 steps/s 2024-05-08 08:23:49,531 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 148.46 -2220.6 16271 -18492 -18492 -0.00059051 -0.00051431 0.00037145 2.6496e+05 2024-05-08 08:24:05,721 INFO [main.py:798]
{rank 0/64} MD step = 162500 step time: 00:00:00.154286 Performance: 55.260 ns/day 0.434 hours/ns 3.198 steps/s 2024-05-08 08:24:09,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162500 32500 149.39 -1961.1 16373 -18334 -18334 -0.00038097 -0.00099053 0.00055241 2.6514e+05 2024-05-08 08:24:28,073 INFO [main.py:798]
{rank 0/64} MD step = 162600 step time: 00:00:00.149472 Performance: 55.269 ns/day 0.434 hours/ns 3.198 steps/s 2024-05-08 08:24:34,364 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 149.97 -1992.3 16437 -18430 -18430 -0.00059051 -0.00053336 0.00062861 2.6527e+05 2024-05-08 08:24:50,807 INFO [main.py:798]
{rank 0/64} MD step = 162700 step time: 00:00:00.151690 Performance: 55.279 ns/day 0.434 hours/ns 3.199 steps/s 2024-05-08 08:24:58,583 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 148.89 -2075.8 16318 -18394 -18394 -0.00060956 -0.00095243 0.00057146 2.6543e+05 2024-05-08 08:25:14,556 INFO [main.py:798]
{rank 0/64} MD step = 162800 step time: 00:00:00.150777 Performance: 55.287 ns/day 0.434 hours/ns 3.199 steps/s 2024-05-08 08:25:19,214 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 148.78 -1941.9 16307 -18249 -18249 -0.00085719 -0.00068575 0.00036193 2.6559e+05 2024-05-08 08:25:35,762 INFO [main.py:798]
{rank 0/64} MD step = 162900 step time: 00:00:00.145275 Performance: 55.298 ns/day 0.434 hours/ns 3.200 steps/s 2024-05-08 08:25:41,890 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 150.03 -1921.1 16443 -18364 -18364 -0.00051431 -0.00030478 0.00072385 2.6571e+05 2024-05-08 08:25:57,817 INFO [main.py:798]
{rank 0/64} MD step = 163000 step time: 00:00:00.156488 Performance: 55.308 ns/day 0.434 hours/ns 3.201 steps/s 2024-05-08 08:26:01,841 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 150.07 -1665.6 16448 -18114 -18114 -0.00022858 -0.00059051 0.00053336 2.6594e+05 2024-05-08 08:26:19,472 INFO [main.py:798]
{rank 0/64} MD step = 163100 step time: 00:00:00.141937 Performance: 55.318 ns/day 0.434 hours/ns 3.201 steps/s 2024-05-08 08:26:25,470 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 149.78 -1855 16416 -18271 -18271 -0.00091434 -0.00038097 0.00046669 2.6608e+05 2024-05-08 08:26:40,755 INFO [main.py:798]
{rank 0/64} MD step = 163200 step time: 00:00:00.152287 Performance: 55.329 ns/day 0.434 hours/ns 3.202 steps/s 2024-05-08 08:26:45,900 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 148.83 -1880.6 16312 -18193 -18193 -0.0010667 -0.00080005 0.00050479 2.6625e+05 2024-05-08 08:27:03,128 INFO [main.py:798]
{rank 0/64} MD step = 163300 step time: 00:00:00.141113 Performance: 55.338 ns/day 0.434 hours/ns 3.202 steps/s 2024-05-08 08:27:09,538 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 147.73 -2045 16192 -18237 -18237 -0.0007048 -0.00087624 0.00071433 2.6637e+05 2024-05-08 08:27:25,309 INFO [main.py:798]
{rank 0/64} MD step = 163400 step time: 00:00:00.155519 Performance: 55.348 ns/day 0.434 hours/ns 3.203 steps/s 2024-05-08 08:27:29,401 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 151.87 -1954.6 16646 -18600 -18600 -0.00041907 -0.00055241 0.00057146 2.6652e+05 2024-05-08 08:27:47,527 INFO [main.py:798]
{rank 0/64} MD step = 163500 step time: 00:00:00.162298 Performance: 55.358 ns/day 0.434 hours/ns 3.204 steps/s 2024-05-08 08:27:55,146 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 153.16 -1490.4 16786 -18276 -18276 -0.00045717 -0.00068575 -0.00024763 2.6671e+05 2024-05-08 08:28:11,140 INFO [main.py:798]
{rank 0/64} MD step = 163600 step time: 00:00:00.158358 Performance: 55.366 ns/day 0.433 hours/ns 3.204 steps/s 2024-05-08 08:28:26,303 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 149.28 -1867.3 16361 -18229 -18229 -0.0010096 -0.00069528 0.00026668 2.6684e+05 2024-05-08 08:28:42,517 INFO [main.py:798]
{rank 0/64} MD step = 163700 step time: 00:00:00.148696 Performance: 55.366 ns/day 0.433 hours/ns 3.204 steps/s 2024-05-08 08:28:47,081 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 148.5 -2251.5 16276 -18527 -18527 -0.00026668 -0.00072385 5.7146e-05 2.6701e+05 2024-05-08 08:29:04,780 INFO [main.py:798]
{rank 0/64} MD step = 163800 step time: 00:00:00.145747 Performance: 55.376 ns/day 0.433 hours/ns 3.205 steps/s 2024-05-08 08:29:14,328 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 151.08 -1960.9 16559 -18520 -18520 -0.00040002 -0.00080957 0.00076195 2.6717e+05 2024-05-08 08:29:30,052 INFO [main.py:798]
{rank 0/64} MD step = 163900 step time: 00:00:00.147802 Performance: 55.382 ns/day 0.433 hours/ns 3.205 steps/s 2024-05-08 08:29:38,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163900 32780 148.84 -2277.1 16313 -18590 -18590 -0.00057146 -0.00049527 0.00049527 2.6733e+05 2024-05-08 08:29:53,954 INFO [main.py:798]
{rank 0/64} MD step = 164000 step time: 00:00:00.164543 Performance: 55.390 ns/day 0.433 hours/ns 3.205 steps/s 2024-05-08 08:30:01,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164000 32800 149.62 -2204 16398 -18602 -18602 -0.0007048 -0.0006667 0.00081433 2.6747e+05 2024-05-08 08:30:17,069 INFO [main.py:798]
{rank 0/64} MD step = 164100 step time: 00:00:00.158568 Performance: 55.399 ns/day 0.433 hours/ns 3.206 steps/s 2024-05-08 08:30:23,261 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 149.74 -2231.3 16412 -18643 -18643 -0.00055241 -0.00065242 0.00095243 2.6761e+05 2024-05-08 08:30:38,550 INFO [main.py:798]
{rank 0/64} MD step = 164200 step time: 00:00:00.154759 Performance: 55.409 ns/day 0.433 hours/ns 3.207 steps/s 2024-05-08 08:30:47,518 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 150.48 -1824.4 16493 -18317 -18317 -0.00076195 -0.00038097 0.0007429 2.6778e+05 2024-05-08 08:31:02,709 INFO [main.py:798]
{rank 0/64} MD step = 164300 step time: 00:00:00.148073 Performance: 55.417 ns/day 0.433 hours/ns 3.207 steps/s 2024-05-08 08:31:07,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164300 32860 150.36 -2070 16480 -18550 -18550 -0.00057146 -0.00051431 0.00049527 2.6789e+05 2024-05-08 08:31:22,742 INFO [main.py:798]
{rank 0/64} MD step = 164400 step time: 00:00:00.152506 Performance: 55.429 ns/day 0.433 hours/ns 3.208 steps/s 2024-05-08 08:31:29,512 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 150.69 -2032.8 16516 -18549 -18549 -0.00043812 -0.00080005 0.00068575 2.6806e+05 2024-05-08 08:31:44,656 INFO [main.py:798]
{rank 0/64} MD step = 164500 step time: 00:00:00.152703 Performance: 55.439 ns/day 0.433 hours/ns 3.208 steps/s 2024-05-08 08:32:00,309 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 150.25 -1838.9 16467 -18306 -18306 -0.00047622 -0.00030478 0.00032383 2.6829e+05 2024-05-08 08:32:14,536 INFO [main.py:798]
{rank 0/64} MD step = 164600 step time: 00:00:00.140536 Performance: 55.440 ns/day 0.433 hours/ns 3.208 steps/s 2024-05-08 08:32:21,087 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 150.36 -1936.9 16480 -18417 -18417 -0.00072385 -0.00038097 0.00051431 2.6843e+05 2024-05-08 08:32:36,866 INFO [main.py:798]
{rank 0/64} MD step = 164700 step time: 00:00:00.159693 Performance: 55.450 ns/day 0.433 hours/ns 3.209 steps/s 2024-05-08 08:32:44,742 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 149.86 -2102.8 16424 -18527 -18527 -0.00051431 -0.00038097 0.00051431 2.6856e+05 2024-05-08 08:33:02,406 INFO [main.py:798]
{rank 0/64} MD step = 164800 step time: 00:00:00.158235 Performance: 55.456 ns/day 0.433 hours/ns 3.209 steps/s 2024-05-08 08:33:08,772 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 152.04 -1868.2 16663 -18532 -18532 -0.00068575 -0.00080005 0.00053336 2.6872e+05 2024-05-08 08:33:25,350 INFO [main.py:798]
{rank 0/64} MD step = 164900 step time: 00:00:00.144541 Performance: 55.465 ns/day 0.433 hours/ns 3.210 steps/s 2024-05-08 08:33:36,927 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 146.42 -2298.4 16048 -18346 -18346 -0.00076195 -0.00043812 0.00032383 2.6895e+05 2024-05-08 08:33:52,731 INFO [main.py:798]
{rank 0/64} MD step = 165000 step time: 00:00:00.138796 Performance: 55.469 ns/day 0.433 hours/ns 3.210 steps/s 2024-05-08 08:34:01,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165000 33000 149.48 -2110.6 16384 -18494 -18494 -0.00053336 -0.00034288 0.00053813 2.6911e+05 2024-05-08 08:34:16,815 INFO [main.py:798]
{rank 0/64} MD step = 165100 step time: 00:00:00.144353 Performance: 55.477 ns/day 0.433 hours/ns 3.210 steps/s 2024-05-08 08:34:25,920 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 150.31 -2027.2 16474 -18501 -18501 -0.00093339 -0.00060956 0.00049527 2.6928e+05 2024-05-08 08:34:41,745 INFO [main.py:798]
{rank 0/64} MD step = 165200 step time: 00:00:00.156612 Performance: 55.483 ns/day 0.433 hours/ns 3.211 steps/s 2024-05-08 08:34:50,408 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 150.06 -1786.4 16447 -18233 -18233 -0.00068575 -0.00060956 0.00059051 2.6946e+05 2024-05-08 08:35:05,983 INFO [main.py:798]
{rank 0/64} MD step = 165300 step time: 00:00:00.157626 Performance: 55.491 ns/day 0.433 hours/ns 3.211 steps/s 2024-05-08 08:35:12,152 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 149.19 -2030.8 16351 -18382 -18382 -0.00053336 -0.00038097 0.00057146 2.6962e+05 2024-05-08 08:35:28,199 INFO [main.py:798]
{rank 0/64} MD step = 165400 step time: 00:00:00.158483 Performance: 55.500 ns/day 0.432 hours/ns 3.212 steps/s 2024-05-08 08:35:33,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165400 33080 150.02 -1904 16442 -18346 -18346 -0.00030478 -0.00053336 0.0010096 2.6975e+05 2024-05-08 08:35:48,828 INFO [main.py:798]
{rank 0/64} MD step = 165500 step time: 00:00:00.161913 Performance: 55.512 ns/day 0.432 hours/ns 3.212 steps/s 2024-05-08 08:35:54,172 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 151.87 -1799.4 16645 -18444 -18444 -0.00083814 -0.00053336 0.00080005 2.6992e+05 2024-05-08 08:36:09,213 INFO [main.py:798]
{rank 0/64} MD step = 165600 step time: 00:00:00.133819 Performance: 55.523 ns/day 0.432 hours/ns 3.213 steps/s 2024-05-08 08:36:14,740 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 151.6 -1904.8 16615 -18520 -18520 -0.00068575 -0.00089529 0.00045717 2.7006e+05 2024-05-08 08:36:30,604 INFO [main.py:798]
{rank 0/64} MD step = 165700 step time: 00:00:00.157478 Performance: 55.534 ns/day 0.432 hours/ns 3.214 steps/s 2024-05-08 08:36:35,903 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 150.85 -1966.1 16534 -18500 -18500 -0.00016191 -0.00062861 0.00041907 2.7022e+05 2024-05-08 08:36:51,026 INFO [main.py:798]
{rank 0/64} MD step = 165800 step time: 00:00:00.145248 Performance: 55.545 ns/day 0.432 hours/ns 3.214 steps/s 2024-05-08 08:36:57,365 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 150.72 -1892.1 16519 -18411 -18411 -0.00083814 -0.0007429 0.00075242 2.7039e+05 2024-05-08 08:37:13,568 INFO [main.py:798]
{rank 0/64} MD step = 165900 step time: 00:00:00.152703 Performance: 55.554 ns/day 0.432 hours/ns 3.215 steps/s 2024-05-08 08:37:18,919 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 149.94 -1826.5 16434 -18261 -18261 -0.00068575 -0.00064766 0.00054289 2.7054e+05 2024-05-08 08:37:35,282 INFO [main.py:798]
{rank 0/64} MD step = 166000 step time: 00:00:00.156633 Performance: 55.565 ns/day 0.432 hours/ns 3.216 steps/s 2024-05-08 08:37:41,626 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 149.78 -1934.6 16416 -18351 -18351 -0.00053336 -0.000781 0.00034288 2.7078e+05 2024-05-08 08:37:57,911 INFO [main.py:798]
{rank 0/64} MD step = 166100 step time: 00:00:00.162203 Performance: 55.574 ns/day 0.432 hours/ns 3.216 steps/s 2024-05-08 08:38:02,766 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 149.23 -2137.5 16356 -18493 -18493 -0.00087624 -0.00080005 0.00059051 2.7093e+05 2024-05-08 08:38:19,178 INFO [main.py:798]
{rank 0/64} MD step = 166200 step time: 00:00:00.162773 Performance: 55.584 ns/day 0.432 hours/ns 3.217 steps/s 2024-05-08 08:38:25,162 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 149.48 -2051.9 16383 -18435 -18435 -0.00045717 -0.00072385 0.00091434 2.7106e+05 2024-05-08 08:38:39,488 INFO [main.py:798]
{rank 0/64} MD step = 166300 step time: 00:00:00.145940 Performance: 55.596 ns/day 0.432 hours/ns 3.217 steps/s 2024-05-08 08:38:46,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166300 33260 148.45 -2240 16270 -18510 -18510 -0.00049527 -0.00068575 0.00080005 2.7126e+05 2024-05-08 08:39:02,037 INFO [main.py:798]
{rank 0/64} MD step = 166400 step time: 00:00:00.163363 Performance: 55.605 ns/day 0.432 hours/ns 3.218 steps/s 2024-05-08 08:39:07,938 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 151.5 -1791.4 16605 -18396 -18396 -0.00095243 -0.00055241 0.00045717 2.7139e+05 2024-05-08 08:39:24,254 INFO [main.py:798]
{rank 0/64} MD step = 166500 step time: 00:00:00.158441 Performance: 55.614 ns/day 0.432 hours/ns 3.218 steps/s 2024-05-08 08:39:28,994 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 148.65 -2037.9 16292 -18330 -18330 -0.00064766 -0.00057146 0.00040955 2.7154e+05 2024-05-08 08:39:46,176 INFO [main.py:798]
{rank 0/64} MD step = 166600 step time: 00:00:00.184950 Performance: 55.624 ns/day 0.431 hours/ns 3.219 steps/s 2024-05-08 08:39:51,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166600 33320 148.5 -2290 16276 -18566 -18566 -0.00055241 -0.00080005 0.00057146 2.7171e+05 2024-05-08 08:40:07,294 INFO [main.py:798]
{rank 0/64} MD step = 166700 step time: 00:00:00.157999 Performance: 55.635 ns/day 0.431 hours/ns 3.220 steps/s 2024-05-08 08:40:12,707 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 149.19 -2244.3 16352 -18596 -18596 -0.00057146 -0.00049527 0.00057146 2.7185e+05 2024-05-08 08:40:27,852 INFO [main.py:798]
{rank 0/64} MD step = 166800 step time: 00:00:00.149525 Performance: 55.646 ns/day 0.431 hours/ns 3.220 steps/s 2024-05-08 08:40:34,259 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 152.67 -1889.8 16733 -18623 -18623 -0.0007048 -0.0006667 0.00062861 2.7207e+05 2024-05-08 08:40:49,771 INFO [main.py:798]
{rank 0/64} MD step = 166900 step time: 00:00:00.152818 Performance: 55.656 ns/day 0.431 hours/ns 3.221 steps/s 2024-05-08 08:40:57,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166900 33380 150.8 -2057 16528 -18585 -18585 -0.00053336 -0.00047622 0.00040002 2.7225e+05 2024-05-08 08:41:11,624 INFO [main.py:798]
{rank 0/64} MD step = 167000 step time: 00:00:00.155838 Performance: 55.666 ns/day 0.431 hours/ns 3.221 steps/s 2024-05-08 08:41:17,139 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 151.99 -1683.8 16659 -18343 -18343 -0.00083814 -0.00085719 0.00091434 2.7242e+05 2024-05-08 08:41:33,038 INFO [main.py:798]
{rank 0/64} MD step = 167100 step time: 00:00:00.154618 Performance: 55.676 ns/day 0.431 hours/ns 3.222 steps/s 2024-05-08 08:41:39,036 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 148.66 -1919.3 16293 -18212 -18212 -0.00091434 -0.00060956 0.00064766 2.7261e+05 2024-05-08 08:41:54,801 INFO [main.py:798]
{rank 0/64} MD step = 167200 step time: 00:00:00.157417 Performance: 55.686 ns/day 0.431 hours/ns 3.223 steps/s 2024-05-08 08:42:01,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167200 33440 150.58 -1744.2 16504 -18248 -18248 -0.00053336 -0.00038097 0.0006667 2.7276e+05 2024-05-08 08:42:17,763 INFO [main.py:798]
{rank 0/64} MD step = 167300 step time: 00:00:00.153487 Performance: 55.695 ns/day 0.431 hours/ns 3.223 steps/s 2024-05-08 08:42:23,918 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 151.25 -1823.6 16577 -18401 -18401 -0.0006667 -0.00064766 0.00034288 2.7288e+05 2024-05-08 08:42:39,839 INFO [main.py:798]
{rank 0/64} MD step = 167400 step time: 00:00:00.150639 Performance: 55.704 ns/day 0.431 hours/ns 3.224 steps/s 2024-05-08 08:42:45,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167400 33480 151.06 -1681.3 16557 -18238 -18238 -0.0007429 -0.00087624 0.00086672 2.7309e+05 2024-05-08 08:43:01,552 INFO [main.py:798]
{rank 0/64} MD step = 167500 step time: 00:00:00.157236 Performance: 55.714 ns/day 0.431 hours/ns 3.224 steps/s 2024-05-08 08:43:07,842 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 151 -1685.7 16550 -18235 -18235 -0.00034288 -0.00041907 0.00057146 2.7321e+05 2024-05-08 08:43:23,950 INFO [main.py:798]
{rank 0/64} MD step = 167600 step time: 00:00:00.152740 Performance: 55.724 ns/day 0.431 hours/ns 3.225 steps/s 2024-05-08 08:43:30,705 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 148.41 -2047.4 16266 -18313 -18313 -0.00072385 -0.00094291 0.00049527 2.7335e+05 2024-05-08 08:43:47,140 INFO [main.py:798]
{rank 0/64} MD step = 167700 step time: 00:00:00.158174 Performance: 55.732 ns/day 0.431 hours/ns 3.225 steps/s 2024-05-08 08:43:53,174 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 147.31 -2393.1 16145 -18538 -18538 -0.00060956 -0.00083814 0.00049527 2.7357e+05 2024-05-08 08:44:08,950 INFO [main.py:798]
{rank 0/64} MD step = 167800 step time: 00:00:00.159464 Performance: 55.742 ns/day 0.431 hours/ns 3.226 steps/s 2024-05-08 08:44:13,958 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 149.44 -2154.2 16378 -18533 -18533 -0.00045717 -0.00054289 0.00069528 2.737e+05 2024-05-08 08:44:30,222 INFO [main.py:798]
{rank 0/64} MD step = 167900 step time: 00:00:00.150941 Performance: 55.752 ns/day 0.430 hours/ns 3.226 steps/s 2024-05-08 08:44:35,657 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 150.13 -1974.1 16455 -18429 -18429 -0.00059051 -0.0006667 0.00082386 2.7388e+05 2024-05-08 08:44:52,272 INFO [main.py:798]
{rank 0/64} MD step = 168000 step time: 00:00:00.157466 Performance: 55.762 ns/day 0.430 hours/ns 3.227 steps/s 2024-05-08 08:44:58,429 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 152.26 -1703 16688 -18391 -18391 -0.00068575 -0.00053336 0.00062861 2.7403e+05 2024-05-08 08:45:14,179 INFO [main.py:798]
{rank 0/64} MD step = 168100 step time: 00:00:00.153858 Performance: 55.772 ns/day 0.430 hours/ns 3.228 steps/s 2024-05-08 08:45:20,865 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 149.99 -1902.5 16439 -18342 -18342 -0.00032383 -0.00076195 0.0007429 2.7417e+05 2024-05-08 08:45:36,996 INFO [main.py:798]
{rank 0/64} MD step = 168200 step time: 00:00:00.162760 Performance: 55.780 ns/day 0.430 hours/ns 3.228 steps/s 2024-05-08 08:45:42,198 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 148.92 -2085 16322 -18407 -18407 -0.00092386 -0.00020954 0.00091434 2.7434e+05 2024-05-08 08:45:58,263 INFO [main.py:798]
{rank 0/64} MD step = 168300 step time: 00:00:00.163398 Performance: 55.791 ns/day 0.430 hours/ns 3.229 steps/s 2024-05-08 08:46:04,153 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 151.63 -1841.5 16619 -18460 -18460 -0.00041907 -0.000781 0.00072385 2.7445e+05 2024-05-08 08:46:20,168 INFO [main.py:798]
{rank 0/64} MD step = 168400 step time: 00:00:00.167344 Performance: 55.801 ns/day 0.430 hours/ns 3.229 steps/s 2024-05-08 08:46:35,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168400 33680 148.86 -2157.9 16315 -18473 -18473 -0.00055241 -0.00053336 0.00038574 2.7457e+05 2024-05-08 08:46:51,683 INFO [main.py:798]
{rank 0/64} MD step = 168500 step time: 00:00:00.155460 Performance: 55.800 ns/day 0.430 hours/ns 3.229 steps/s 2024-05-08 08:46:57,393 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 151.81 -1969.3 16639 -18608 -18608 -0.00076195 -0.00089529 -0.00038097 2.7475e+05 2024-05-08 08:47:12,734 INFO [main.py:798]
{rank 0/64} MD step = 168600 step time: 00:00:00.148921 Performance: 55.811 ns/day 0.430 hours/ns 3.230 steps/s 2024-05-08 08:47:18,714 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 150.22 -1940.9 16465 -18405 -18405 -0.00045717 -0.00072385 0.00065718 2.7497e+05 2024-05-08 08:47:34,404 INFO [main.py:798]
{rank 0/64} MD step = 168700 step time: 00:00:00.153215 Performance: 55.820 ns/day 0.430 hours/ns 3.230 steps/s 2024-05-08 08:47:38,371 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 151.63 -1935.9 16619 -18555 -18555 -0.00072385 -0.0007429 0.00045717 2.7513e+05 2024-05-08 08:47:55,487 INFO [main.py:798]
{rank 0/64} MD step = 168800 step time: 00:00:00.156432 Performance: 55.831 ns/day 0.430 hours/ns 3.231 steps/s 2024-05-08 08:48:01,839 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 150.33 -2084.3 16477 -18561 -18561 -0.00041907 -0.00080957 0.00060956 2.7524e+05 2024-05-08 08:48:17,804 INFO [main.py:798]
{rank 0/64} MD step = 168900 step time: 00:00:00.177468 Performance: 55.840 ns/day 0.430 hours/ns 3.231 steps/s 2024-05-08 08:48:22,958 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 149 -2047.9 16331 -18378 -18378 -0.00053336 -0.00051431 0.00076195 2.7541e+05 2024-05-08 08:48:38,428 INFO [main.py:798]
{rank 0/64} MD step = 169000 step time: 00:00:00.170392 Performance: 55.851 ns/day 0.430 hours/ns 3.232 steps/s 2024-05-08 08:48:46,914 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 148.21 -2111.7 16245 -18356 -18356 -0.00080005 -0.00095243 0.00057146 2.7558e+05 2024-05-08 08:49:02,049 INFO [main.py:798]
{rank 0/64} MD step = 169100 step time: 00:00:00.163724 Performance: 55.859 ns/day 0.430 hours/ns 3.233 steps/s 2024-05-08 08:49:07,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169100 33820 150.97 -1759.6 16546 -18306 -18306 -0.00067623 -0.00045717 0.00068575 2.7575e+05 2024-05-08 08:49:23,366 INFO [main.py:798]
{rank 0/64} MD step = 169200 step time: 00:00:00.158374 Performance: 55.869 ns/day 0.430 hours/ns 3.233 steps/s 2024-05-08 08:49:27,634 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 149.47 -2051.7 16383 -18434 -18434 -0.0006667 -0.00091434 0.00017144 2.759e+05 2024-05-08 08:49:44,428 INFO [main.py:798]
{rank 0/64} MD step = 169300 step time: 00:00:00.153511 Performance: 55.880 ns/day 0.429 hours/ns 3.234 steps/s 2024-05-08 08:49:49,749 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 151.88 -1710.1 16647 -18357 -18357 -0.00083814 -0.00083814 0.00060956 2.7608e+05 2024-05-08 08:50:04,648 INFO [main.py:798]
{rank 0/64} MD step = 169400 step time: 00:00:00.155828 Performance: 55.891 ns/day 0.429 hours/ns 3.234 steps/s 2024-05-08 08:50:08,445 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 148.88 -2199.8 16317 -18517 -18517 -0.0006667 -0.00053336 0.00022858 2.7622e+05 2024-05-08 08:50:25,549 INFO [main.py:798]
{rank 0/64} MD step = 169500 step time: 00:00:00.159293 Performance: 55.902 ns/day 0.429 hours/ns 3.235 steps/s 2024-05-08 08:50:31,000 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 152.93 -1782.7 16761 -18544 -18544 -0.00034288 -0.00016191 0.00076195 2.7639e+05 2024-05-08 08:50:46,744 INFO [main.py:798]
{rank 0/64} MD step = 169600 step time: 00:00:00.146834 Performance: 55.912 ns/day 0.429 hours/ns 3.236 steps/s 2024-05-08 08:50:52,859 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 152.17 -1659 16678 -18337 -18337 -0.00076195 -0.00049527 0.00062861 2.7655e+05 2024-05-08 08:51:08,982 INFO [main.py:798]
{rank 0/64} MD step = 169700 step time: 00:00:00.146106 Performance: 55.922 ns/day 0.429 hours/ns 3.236 steps/s 2024-05-08 08:51:15,072 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 149.48 -2008.3 16384 -18392 -18392 -0.00024763 -0.00040955 0.00060956 2.7671e+05 2024-05-08 08:51:30,731 INFO [main.py:798]
{rank 0/64} MD step = 169800 step time: 00:00:00.155885 Performance: 55.931 ns/day 0.429 hours/ns 3.237 steps/s 2024-05-08 08:51:36,212 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 149.81 -2001.7 16419 -18421 -18421 -0.00072385 -0.00076195 0.00099053 2.7688e+05 2024-05-08 08:51:51,555 INFO [main.py:798]
{rank 0/64} MD step = 169900 step time: 00:00:00.140038 Performance: 55.942 ns/day 0.429 hours/ns 3.237 steps/s 2024-05-08 08:52:02,202 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 147.58 -2484.3 16175 -18660 -18660 -0.00050479 -0.00089529 0.00030478 2.7701e+05 2024-05-08 08:52:18,133 INFO [main.py:798]
{rank 0/64} MD step = 170000 step time: 00:00:00.154516 Performance: 55.947 ns/day 0.429 hours/ns 3.238 steps/s 2024-05-08 08:52:24,485 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 149.04 -2297.3 16335 -18632 -18632 -0.0007429 -0.00076195 0.00041907 2.7718e+05 2024-05-08 08:52:40,548 INFO [main.py:798]
{rank 0/64} MD step = 170100 step time: 00:00:00.164364 Performance: 55.956 ns/day 0.429 hours/ns 3.238 steps/s 2024-05-08 08:52:46,548 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 148.43 -2440 16268 -18708 -18708 -0.00060003 -0.00076195 0.00045717 2.7731e+05 2024-05-08 08:53:03,753 INFO [main.py:798]
{rank 0/64} MD step = 170200 step time: 00:00:00.161005 Performance: 55.964 ns/day 0.429 hours/ns 3.239 steps/s 2024-05-08 08:53:10,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170200 34040 149.86 -2177.6 16424 -18602 -18602 -0.00076195 -0.00041907 0.00057146 2.7754e+05 2024-05-08 08:53:26,412 INFO [main.py:798]
{rank 0/64} MD step = 170300 step time: 00:00:00.163996 Performance: 55.973 ns/day 0.429 hours/ns 3.239 steps/s 2024-05-08 08:53:32,507 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 148.59 -2409.1 16285 -18695 -18695 -0.00068575 -0.00045717 0.0007048 2.7774e+05 2024-05-08 08:53:48,298 INFO [main.py:798]
{rank 0/64} MD step = 170400 step time: 00:00:00.157328 Performance: 55.982 ns/day 0.429 hours/ns 3.240 steps/s 2024-05-08 08:53:54,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170400 34080 149.78 -2545.1 16416 -18961 -18961 -0.00057146 -0.00053336 0.00043812 2.7783e+05 2024-05-08 08:54:10,241 INFO [main.py:798]
{rank 0/64} MD step = 170500 step time: 00:00:00.166167 Performance: 55.992 ns/day 0.429 hours/ns 3.240 steps/s 2024-05-08 08:54:16,172 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 150.89 -1923.3 16538 -18461 -18461 -0.00068575 -0.00045717 0.00038097 2.7805e+05 2024-05-08 08:54:31,710 INFO [main.py:798]
{rank 0/64} MD step = 170600 step time: 00:00:00.159368 Performance: 56.002 ns/day 0.429 hours/ns 3.241 steps/s 2024-05-08 08:54:37,803 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 147.82 -2492.8 16202 -18694 -18694 -0.00034288 -0.000781 -0.00045717 2.7821e+05 2024-05-08 08:54:53,616 INFO [main.py:798]
{rank 0/64} MD step = 170700 step time: 00:00:00.151438 Performance: 56.011 ns/day 0.428 hours/ns 3.241 steps/s 2024-05-08 08:55:00,783 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 149.81 -1852 16420 -18272 -18272 -0.00081909 -0.00049527 0.00038097 2.7839e+05 2024-05-08 08:55:16,734 INFO [main.py:798]
{rank 0/64} MD step = 170800 step time: 00:00:00.151873 Performance: 56.019 ns/day 0.428 hours/ns 3.242 steps/s 2024-05-08 08:55:22,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170800 34160 149.74 -1888 16411 -18299 -18299 -0.00095243 -0.00076195 0.00072385 2.7849e+05 2024-05-08 08:55:38,997 INFO [main.py:798]
{rank 0/64} MD step = 170900 step time: 00:00:00.157558 Performance: 56.028 ns/day 0.428 hours/ns 3.242 steps/s 2024-05-08 08:55:46,420 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 148 -2200.8 16220 -18421 -18421 -0.00076195 -0.0007429 0.00068575 2.7865e+05 2024-05-08 08:56:02,164 INFO [main.py:798]
{rank 0/64} MD step = 171000 step time: 00:00:00.164008 Performance: 56.037 ns/day 0.428 hours/ns 3.243 steps/s 2024-05-08 08:56:06,911 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 151.33 -2007.1 16586 -18594 -18594 -0.00064766 -0.00076195 0.000781 2.788e+05 2024-05-08 08:56:22,304 INFO [main.py:798]
{rank 0/64} MD step = 171100 step time: 00:00:00.148870 Performance: 56.048 ns/day 0.428 hours/ns 3.244 steps/s 2024-05-08 08:56:27,009 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 150.26 -2017.8 16469 -18487 -18487 -0.00083814 -0.00060956 0.00063813 2.7898e+05 2024-05-08 08:56:44,301 INFO [main.py:798]
{rank 0/64} MD step = 171200 step time: 00:00:00.144561 Performance: 56.057 ns/day 0.428 hours/ns 3.244 steps/s 2024-05-08 08:56:53,520 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 149.21 -1852.6 16353 -18206 -18206 -0.0007429 -0.00083814 0.00055241 2.7919e+05 2024-05-08 08:57:09,425 INFO [main.py:798]
{rank 0/64} MD step = 171300 step time: 00:00:00.166444 Performance: 56.063 ns/day 0.428 hours/ns 3.244 steps/s 2024-05-08 08:57:16,518 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 146.83 -2332.2 16093 -18425 -18425 -0.00062861 -0.00036193 0.00041907 2.7931e+05 2024-05-08 08:57:34,850 INFO [main.py:798]
{rank 0/64} MD step = 171400 step time: 00:00:00.169391 Performance: 56.069 ns/day 0.428 hours/ns 3.245 steps/s 2024-05-08 08:57:40,803 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 147.97 -2322 16217 -18539 -18539 -0.00036193 -0.00036193 0.00076195 2.7944e+05 2024-05-08 08:57:56,876 INFO [main.py:798]
{rank 0/64} MD step = 171500 step time: 00:00:00.159453 Performance: 56.079 ns/day 0.428 hours/ns 3.245 steps/s 2024-05-08 08:58:03,150 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 150.59 -2075.2 16505 -18580 -18580 -0.00051431 -0.00085719 0.00049527 2.7966e+05 2024-05-08 08:58:19,862 INFO [main.py:798]
{rank 0/64} MD step = 171600 step time: 00:00:00.159182 Performance: 56.087 ns/day 0.428 hours/ns 3.246 steps/s 2024-05-08 08:58:25,827 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 148.82 -2080.3 16311 -18392 -18392 -0.00072385 -0.00022858 0.00047622 2.7985e+05 2024-05-08 08:58:41,836 INFO [main.py:798]
{rank 0/64} MD step = 171700 step time: 00:00:00.160737 Performance: 56.096 ns/day 0.428 hours/ns 3.246 steps/s 2024-05-08 08:58:47,593 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 148.52 -2055.8 16278 -18334 -18334 -0.00068575 -0.00057146 0.00062861 2.7997e+05 2024-05-08 08:59:03,483 INFO [main.py:798]
{rank 0/64} MD step = 171800 step time: 00:00:00.171097 Performance: 56.106 ns/day 0.428 hours/ns 3.247 steps/s 2024-05-08 08:59:08,833 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 150.32 -1943.8 16475 -18419 -18419 -0.00080005 -0.00085719 0.00026668 2.8012e+05 2024-05-08 08:59:24,133 INFO [main.py:798]
{rank 0/64} MD step = 171900 step time: 00:00:00.159642 Performance: 56.117 ns/day 0.428 hours/ns 3.247 steps/s 2024-05-08 08:59:29,179 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 152.99 -1543.7 16768 -18312 -18312 -0.00086672 -0.00053336 0.00028573 2.803e+05 2024-05-08 08:59:44,771 INFO [main.py:798]
{rank 0/64} MD step = 172000 step time: 00:00:00.156131 Performance: 56.127 ns/day 0.428 hours/ns 3.248 steps/s 2024-05-08 08:59:51,173 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 151.93 -1912.2 16652 -18564 -18564 -0.000781 -0.00048574 0.00043812 2.8047e+05 2024-05-08 09:00:06,962 INFO [main.py:798]
{rank 0/64} MD step = 172100 step time: 00:00:00.159696 Performance: 56.137 ns/day 0.428 hours/ns 3.249 steps/s 2024-05-08 09:00:13,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172100 34420 150.6 -1842.6 16506 -18349 -18349 -0.00026668 -0.00068575 0.00022858 2.8062e+05 2024-05-08 09:00:28,009 INFO [main.py:798]
{rank 0/64} MD step = 172200 step time: 00:00:00.153763 Performance: 56.147 ns/day 0.427 hours/ns 3.249 steps/s 2024-05-08 09:00:35,105 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 148.9 -1959.3 16320 -18279 -18279 -0.00077147 -0.00076195 0.00045717 2.8076e+05 2024-05-08 09:00:51,003 INFO [main.py:798]
{rank 0/64} MD step = 172300 step time: 00:00:00.164885 Performance: 56.155 ns/day 0.427 hours/ns 3.250 steps/s 2024-05-08 09:00:58,299 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 152.35 -1577.9 16698 -18276 -18276 -0.00051431 -0.00034288 0.00059051 2.8093e+05 2024-05-08 09:01:13,221 INFO [main.py:798]
{rank 0/64} MD step = 172400 step time: 00:00:00.173804 Performance: 56.164 ns/day 0.427 hours/ns 3.250 steps/s 2024-05-08 09:01:20,654 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 150.76 -2038.8 16523 -18562 -18562 -0.00083814 -0.00068575 0.00076195 2.8107e+05 2024-05-08 09:01:36,280 INFO [main.py:798]
{rank 0/64} MD step = 172500 step time: 00:00:00.184560 Performance: 56.172 ns/day 0.427 hours/ns 3.251 steps/s 2024-05-08 09:01:45,377 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 147.51 -2413.4 16168 -18581 -18581 -0.00067147 -0.00059051 0.00040002 2.8125e+05 2024-05-08 09:02:00,806 INFO [main.py:798]
{rank 0/64} MD step = 172600 step time: 00:00:00.154856 Performance: 56.179 ns/day 0.427 hours/ns 3.251 steps/s 2024-05-08 09:02:06,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172600 34520 147.56 -2177 16173 -18350 -18350 -0.00032383 -0.00068575 0.00060956 2.8144e+05 2024-05-08 09:02:22,647 INFO [main.py:798]
{rank 0/64} MD step = 172700 step time: 00:00:00.157823 Performance: 56.188 ns/day 0.427 hours/ns 3.252 steps/s 2024-05-08 09:02:29,258 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 150.17 -2035.5 16459 -18495 -18495 -0.00023811 -0.00051431 0.00030478 2.8156e+05 2024-05-08 09:02:45,024 INFO [main.py:798]
{rank 0/64} MD step = 172800 step time: 00:00:00.149068 Performance: 56.197 ns/day 0.427 hours/ns 3.252 steps/s 2024-05-08 09:02:51,440 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 150.51 -2057.1 16496 -18553 -18553 -0.00053336 -0.00057146 0.00034288 2.8172e+05 2024-05-08 09:03:05,732 INFO [main.py:798]
{rank 0/64} MD step = 172900 step time: 00:00:00.147187 Performance: 56.208 ns/day 0.427 hours/ns 3.253 steps/s 2024-05-08 09:03:13,407 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 147.78 -2156 16197 -18353 -18353 -0.000781 -0.00048574 0.00083814 2.8192e+05 2024-05-08 09:03:29,365 INFO [main.py:798]
{rank 0/64} MD step = 173000 step time: 00:00:00.153523 Performance: 56.215 ns/day 0.427 hours/ns 3.253 steps/s 2024-05-08 09:03:35,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173000 34600 150.43 -2137.3 16487 -18625 -18625 -0.00045717 -0.00040002 0.00045717 2.8209e+05 2024-05-08 09:03:51,143 INFO [main.py:798]
{rank 0/64} MD step = 173100 step time: 00:00:00.160234 Performance: 56.225 ns/day 0.427 hours/ns 3.254 steps/s 2024-05-08 09:03:57,610 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 151.12 -1913 16563 -18476 -18476 -0.00072385 -0.00080005 0.00076195 2.8222e+05 2024-05-08 09:04:13,426 INFO [main.py:798]
{rank 0/64} MD step = 173200 step time: 00:00:00.159360 Performance: 56.234 ns/day 0.427 hours/ns 3.254 steps/s 2024-05-08 09:04:19,107 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 150.43 -1937.3 16487 -18424 -18424 -0.00059051 -0.00083814 1.9049e-05 2.8242e+05 2024-05-08 09:04:34,893 INFO [main.py:798]
{rank 0/64} MD step = 173300 step time: 00:00:00.148417 Performance: 56.243 ns/day 0.427 hours/ns 3.255 steps/s 2024-05-08 09:04:42,301 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 151.61 -1811.6 16616 -18428 -18428 -0.00032383 -0.00076195 0.00053336 2.8259e+05 2024-05-08 09:04:57,810 INFO [main.py:798]
{rank 0/64} MD step = 173400 step time: 00:00:00.145757 Performance: 56.252 ns/day 0.427 hours/ns 3.255 steps/s 2024-05-08 09:05:03,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173400 34680 149.21 -1893.9 16354 -18247 -18247 -0.00084767 -0.00049527 0.00045717 2.8277e+05 2024-05-08 09:05:19,437 INFO [main.py:798]
{rank 0/64} MD step = 173500 step time: 00:00:00.151036 Performance: 56.261 ns/day 0.427 hours/ns 3.256 steps/s 2024-05-08 09:05:34,118 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 151.05 -2012.5 16556 -18568 -18568 -0.00099053 -0.00045717 0.0004286 2.829e+05 2024-05-08 09:05:49,024 INFO [main.py:798]
{rank 0/64} MD step = 173600 step time: 00:00:00.154389 Performance: 56.263 ns/day 0.427 hours/ns 3.256 steps/s 2024-05-08 09:05:54,693 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 149.44 -1934.2 16379 -18313 -18313 -0.00058099 -0.00041907 0.00055241 2.8306e+05 2024-05-08 09:06:10,439 INFO [main.py:798]
{rank 0/64} MD step = 173700 step time: 00:00:00.158663 Performance: 56.272 ns/day 0.426 hours/ns 3.256 steps/s 2024-05-08 09:06:17,453 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 150.39 -1864.3 16483 -18348 -18348 -0.0007048 -0.00091434 0.000781 2.832e+05 2024-05-08 09:06:33,591 INFO [main.py:798]
{rank 0/64} MD step = 173800 step time: 00:00:00.154509 Performance: 56.280 ns/day 0.426 hours/ns 3.257 steps/s 2024-05-08 09:06:40,073 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 150.57 -1926.9 16503 -18430 -18430 -0.00064766 -0.00053336 0.00068575 2.8336e+05 2024-05-08 09:06:55,566 INFO [main.py:798]
{rank 0/64} MD step = 173900 step time: 00:00:00.171188 Performance: 56.289 ns/day 0.426 hours/ns 3.257 steps/s 2024-05-08 09:07:00,828 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 149.46 -2024.8 16381 -18406 -18406 -0.00050479 -0.00080005 0.00064766 2.8349e+05 2024-05-08 09:07:18,324 INFO [main.py:798]
{rank 0/64} MD step = 174000 step time: 00:00:00.170622 Performance: 56.298 ns/day 0.426 hours/ns 3.258 steps/s 2024-05-08 09:07:24,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174000 34800 151.16 -1876.2 16568 -18444 -18444 -0.00080005 -0.00049527 0.00053336 2.8365e+05 2024-05-08 09:07:40,567 INFO [main.py:798]
{rank 0/64} MD step = 174100 step time: 00:00:00.167279 Performance: 56.307 ns/day 0.426 hours/ns 3.258 steps/s 2024-05-08 09:07:45,505 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 150.86 -1841.2 16534 -18376 -18376 -0.00043812 -0.00051431 0.00076195 2.8379e+05 2024-05-08 09:08:03,653 INFO [main.py:798]
{rank 0/64} MD step = 174200 step time: 00:00:00.162052 Performance: 56.315 ns/day 0.426 hours/ns 3.259 steps/s 2024-05-08 09:08:11,345 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 150.91 -1800.9 16540 -18341 -18341 -0.00011429 -0.00064766 0.00079052 2.8396e+05 2024-05-08 09:08:27,250 INFO [main.py:798]
{rank 0/64} MD step = 174300 step time: 00:00:00.166968 Performance: 56.322 ns/day 0.426 hours/ns 3.259 steps/s 2024-05-08 09:08:33,157 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 149.47 -2056.9 16382 -18439 -18439 -0.00041907 -0.00083814 0.00047146 2.8416e+05 2024-05-08 09:08:48,751 INFO [main.py:798]
{rank 0/64} MD step = 174400 step time: 00:00:00.175361 Performance: 56.332 ns/day 0.426 hours/ns 3.260 steps/s 2024-05-08 09:08:54,612 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 151.3 -1889.5 16583 -18472 -18472 -0.0012191 -0.00076195 0.00030478 2.8429e+05 2024-05-08 09:09:10,282 INFO [main.py:798]
{rank 0/64} MD step = 174500 step time: 00:00:00.171063 Performance: 56.342 ns/day 0.426 hours/ns 3.261 steps/s 2024-05-08 09:09:15,968 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 149.55 -2123.5 16391 -18515 -18515 -0.00036193 -0.00072385 0.00064766 2.8451e+05 2024-05-08 09:09:31,038 INFO [main.py:798]
{rank 0/64} MD step = 174600 step time: 00:00:00.158390 Performance: 56.352 ns/day 0.426 hours/ns 3.261 steps/s 2024-05-08 09:09:37,623 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 149.69 -2398.2 16406 -18805 -18805 -0.00064766 -0.00041907 0.00015239 2.846e+05 2024-05-08 09:09:52,902 INFO [main.py:798]
{rank 0/64} MD step = 174700 step time: 00:00:00.148566 Performance: 56.361 ns/day 0.426 hours/ns 3.262 steps/s 2024-05-08 09:09:58,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174700 34940 147.42 -2332.1 16158 -18490 -18490 -0.00043812 -0.00048574 0.00032383 2.8482e+05 2024-05-08 09:10:14,832 INFO [main.py:798]
{rank 0/64} MD step = 174800 step time: 00:00:00.153069 Performance: 56.370 ns/day 0.426 hours/ns 3.262 steps/s 2024-05-08 09:10:21,191 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 149.74 -2190.2 16412 -18602 -18602 -0.00034288 -0.00038097 0.00020954 2.8493e+05 2024-05-08 09:10:36,251 INFO [main.py:798]
{rank 0/64} MD step = 174900 step time: 00:00:00.177487 Performance: 56.380 ns/day 0.426 hours/ns 3.263 steps/s 2024-05-08 09:10:42,480 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 149.95 -1838.6 16435 -18274 -18274 -0.00045717 -0.00073337 -0.00064766 2.8511e+05 2024-05-08 09:10:58,499 INFO [main.py:798]
{rank 0/64} MD step = 175000 step time: 00:00:00.143147 Performance: 56.389 ns/day 0.426 hours/ns 3.263 steps/s 2024-05-08 09:11:04,221 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 147.9 -2097.1 16210 -18307 -18307 -0.00060956 -0.00056194 0.00060956 2.8526e+05 2024-05-08 09:11:20,557 INFO [main.py:798]
{rank 0/64} MD step = 175100 step time: 00:00:00.140356 Performance: 56.398 ns/day 0.426 hours/ns 3.264 steps/s 2024-05-08 09:11:26,882 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 149.75 -2028.6 16413 -18442 -18442 -0.00088576 -0.00060956 -0.00036193 2.8546e+05 2024-05-08 09:11:42,907 INFO [main.py:798]
{rank 0/64} MD step = 175200 step time: 00:00:00.155580 Performance: 56.407 ns/day 0.425 hours/ns 3.264 steps/s 2024-05-08 09:11:50,626 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 152.52 -1963.8 16716 -18680 -18680 -0.00076195 -0.00068575 0.00036193 2.8559e+05 2024-05-08 09:12:06,471 INFO [main.py:798]
{rank 0/64} MD step = 175300 step time: 00:00:00.157280 Performance: 56.414 ns/day 0.425 hours/ns 3.265 steps/s 2024-05-08 09:12:12,916 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 149.52 -1933.6 16387 -18321 -18321 -0.00045717 -0.00087624 0.00091434 2.8578e+05 2024-05-08 09:12:28,468 INFO [main.py:798]
{rank 0/64} MD step = 175400 step time: 00:00:00.151924 Performance: 56.423 ns/day 0.425 hours/ns 3.265 steps/s 2024-05-08 09:12:34,417 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 151.27 -1916.3 16579 -18496 -18496 -0.00060003 -0.00091434 0.00093339 2.8592e+05 2024-05-08 09:12:50,452 INFO [main.py:798]
{rank 0/64} MD step = 175500 step time: 00:00:00.144470 Performance: 56.432 ns/day 0.425 hours/ns 3.266 steps/s 2024-05-08 09:12:55,689 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 148.77 -1976.2 16305 -18282 -18282 -0.00048574 -0.00060956 0.00068575 2.8608e+05 2024-05-08 09:13:11,613 INFO [main.py:798]
{rank 0/64} MD step = 175600 step time: 00:00:00.141170 Performance: 56.442 ns/day 0.425 hours/ns 3.266 steps/s 2024-05-08 09:13:18,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175600 35120 150.02 -2227.9 16443 -18671 -18671 -0.00086672 -0.00081909 0.00038097 2.8619e+05 2024-05-08 09:13:34,581 INFO [main.py:798]
{rank 0/64} MD step = 175700 step time: 00:00:00.142844 Performance: 56.450 ns/day 0.425 hours/ns 3.267 steps/s 2024-05-08 09:13:40,972 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 149.64 -2096.5 16401 -18497 -18497 -0.00086672 -0.00087624 0.00080005 2.8638e+05 2024-05-08 09:13:57,412 INFO [main.py:798]
{rank 0/64} MD step = 175800 step time: 00:00:00.146619 Performance: 56.458 ns/day 0.425 hours/ns 3.267 steps/s 2024-05-08 09:14:03,915 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 149.38 -2152.3 16372 -18525 -18525 -0.00072385 -0.00053336 0.00068575 2.8657e+05 2024-05-08 09:14:20,088 INFO [main.py:798]
{rank 0/64} MD step = 175900 step time: 00:00:00.146289 Performance: 56.467 ns/day 0.425 hours/ns 3.268 steps/s 2024-05-08 09:14:25,409 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 150.5 -2067.3 16495 -18562 -18562 -0.00049527 -0.00097148 0.00047622 2.8673e+05 2024-05-08 09:14:41,212 INFO [main.py:798]
{rank 0/64} MD step = 176000 step time: 00:00:00.156723 Performance: 56.477 ns/day 0.425 hours/ns 3.268 steps/s 2024-05-08 09:14:47,104 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 150.35 -1854.5 16479 -18334 -18334 -0.0006667 -0.00064766 0.00053336 2.8686e+05 2024-05-08 09:15:02,538 INFO [main.py:798]
{rank 0/64} MD step = 176100 step time: 00:00:00.144719 Performance: 56.486 ns/day 0.425 hours/ns 3.269 steps/s 2024-05-08 09:15:10,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176100 35220 150.96 -1788.8 16545 -18334 -18334 -0.00068575 -0.00026668 0.00045717 2.8703e+05 2024-05-08 09:15:26,568 INFO [main.py:798]
{rank 0/64} MD step = 176200 step time: 00:00:00.163704 Performance: 56.493 ns/day 0.425 hours/ns 3.269 steps/s 2024-05-08 09:15:31,803 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 149.93 -1911.4 16433 -18344 -18344 -0.00091434 -0.00062861 0.00087624 2.8714e+05 2024-05-08 09:15:48,095 INFO [main.py:798]
{rank 0/64} MD step = 176300 step time: 00:00:00.156541 Performance: 56.503 ns/day 0.425 hours/ns 3.270 steps/s 2024-05-08 09:15:55,570 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 151.33 -1714.9 16586 -18301 -18301 -0.00064766 -0.00072385 0.00076195 2.8732e+05 2024-05-08 09:16:11,613 INFO [main.py:798]
{rank 0/64} MD step = 176400 step time: 00:00:00.153183 Performance: 56.510 ns/day 0.425 hours/ns 3.270 steps/s 2024-05-08 09:16:15,812 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 152.1 -1675 16671 -18346 -18346 -0.00083814 -0.00038097 -0.00015239 2.8746e+05 2024-05-08 09:16:34,024 INFO [main.py:798]
{rank 0/64} MD step = 176500 step time: 00:00:00.158291 Performance: 56.519 ns/day 0.425 hours/ns 3.271 steps/s 2024-05-08 09:16:39,752 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 149.98 -1909.9 16438 -18348 -18348 -0.00050955 -0.00046669 0.00058099 2.8758e+05 2024-05-08 09:16:55,935 INFO [main.py:798]
{rank 0/64} MD step = 176600 step time: 00:00:00.167794 Performance: 56.528 ns/day 0.425 hours/ns 3.271 steps/s 2024-05-08 09:17:00,227 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 148.98 -2025.5 16329 -18354 -18354 -0.0010667 -0.00068575 0.00046669 2.8772e+05 2024-05-08 09:17:17,861 INFO [main.py:798]
{rank 0/64} MD step = 176700 step time: 00:00:00.159652 Performance: 56.537 ns/day 0.425 hours/ns 3.272 steps/s 2024-05-08 09:17:24,074 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 150.54 -1881.1 16499 -18380 -18380 -0.00040955 -0.00085719 0.00038097 2.8793e+05 2024-05-08 09:17:39,751 INFO [main.py:798]
{rank 0/64} MD step = 176800 step time: 00:00:00.166131 Performance: 56.546 ns/day 0.424 hours/ns 3.272 steps/s 2024-05-08 09:17:44,591 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 152.72 -1657.9 16738 -18396 -18396 -0.00089529 -0.00083814 0.00022858 2.8803e+05 2024-05-08 09:18:01,736 INFO [main.py:798]
{rank 0/64} MD step = 176900 step time: 00:00:00.155680 Performance: 56.555 ns/day 0.424 hours/ns 3.273 steps/s 2024-05-08 09:18:07,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176900 35380 149.87 -2187 16426 -18613 -18613 -0.00055241 -0.00049527 0.00022858 2.8825e+05 2024-05-08 09:18:23,046 INFO [main.py:798]
{rank 0/64} MD step = 177000 step time: 00:00:00.163461 Performance: 56.564 ns/day 0.424 hours/ns 3.273 steps/s 2024-05-08 09:18:28,295 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 151.08 -1768 16558 -18326 -18326 -0.00080005 -0.00038097 0.00030478 2.8847e+05 2024-05-08 09:18:43,776 INFO [main.py:798]
{rank 0/64} MD step = 177100 step time: 00:00:00.162928 Performance: 56.575 ns/day 0.424 hours/ns 3.274 steps/s 2024-05-08 09:18:51,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177100 35420 150.69 -1905.6 16516 -18422 -18422 -0.0004286 -0.00080005 0.00036193 2.8859e+05 2024-05-08 09:19:06,005 INFO [main.py:798]
{rank 0/64} MD step = 177200 step time: 00:00:00.157806 Performance: 56.583 ns/day 0.424 hours/ns 3.275 steps/s 2024-05-08 09:19:11,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177200 35440 150.75 -1869.2 16522 -18392 -18392 -0.00095243 -0.00095243 0.00060956 2.8886e+05 2024-05-08 09:19:28,126 INFO [main.py:798]
{rank 0/64} MD step = 177300 step time: 00:00:00.149737 Performance: 56.592 ns/day 0.424 hours/ns 3.275 steps/s 2024-05-08 09:19:34,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177300 35460 150.08 -1888.2 16449 -18337 -18337 -0.00091434 -0.00038097 -9.5243e-05 2.8902e+05 2024-05-08 09:19:49,687 INFO [main.py:798]
{rank 0/64} MD step = 177400 step time: 00:00:00.160044 Performance: 56.602 ns/day 0.424 hours/ns 3.276 steps/s 2024-05-08 09:19:55,400 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 150.89 -2074.1 16538 -18612 -18612 -0.00060956 -0.00095243 0.00030478 2.8917e+05 2024-05-08 09:20:11,181 INFO [main.py:798]
{rank 0/64} MD step = 177500 step time: 00:00:00.158548 Performance: 56.611 ns/day 0.424 hours/ns 3.276 steps/s 2024-05-08 09:20:16,783 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 149.24 -2123.9 16357 -18481 -18481 -0.00083814 -0.00091434 0.00068575 2.8937e+05 2024-05-08 09:20:32,810 INFO [main.py:798]
{rank 0/64} MD step = 177600 step time: 00:00:00.158040 Performance: 56.620 ns/day 0.424 hours/ns 3.277 steps/s 2024-05-08 09:20:47,349 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 149.73 -1989.6 16410 -18400 -18400 -0.00043812 -0.00041907 0.00068575 2.8951e+05 2024-05-08 09:21:01,719 INFO [main.py:798]
{rank 0/64} MD step = 177700 step time: 00:00:00.179416 Performance: 56.622 ns/day 0.424 hours/ns 3.277 steps/s 2024-05-08 09:21:07,498 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 149.92 -1939 16431 -18370 -18370 -0.00030478 -0.00091434 0.00019049 2.8968e+05 2024-05-08 09:21:23,635 INFO [main.py:798]
{rank 0/64} MD step = 177800 step time: 00:00:00.171367 Performance: 56.631 ns/day 0.424 hours/ns 3.277 steps/s 2024-05-08 09:21:29,216 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 150.38 -2080.3 16481 -18562 -18562 -0.00040002 -0.00045717 0.00064766 2.8981e+05 2024-05-08 09:21:44,892 INFO [main.py:798]
{rank 0/64} MD step = 177900 step time: 00:00:00.165040 Performance: 56.641 ns/day 0.424 hours/ns 3.278 steps/s 2024-05-08 09:21:51,378 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 149.46 -2067.5 16381 -18448 -18448 -0.00044764 -0.00060956 0.00068575 2.8998e+05 2024-05-08 09:22:06,858 INFO [main.py:798]
{rank 0/64} MD step = 178000 step time: 00:00:00.156813 Performance: 56.650 ns/day 0.424 hours/ns 3.278 steps/s 2024-05-08 09:22:12,172 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 148.93 -2087.5 16323 -18411 -18411 -0.00078576 -0.00083814 0.0008429 2.9018e+05 2024-05-08 09:22:28,331 INFO [main.py:798]
{rank 0/64} MD step = 178100 step time: 00:00:00.152117 Performance: 56.659 ns/day 0.424 hours/ns 3.279 steps/s 2024-05-08 09:22:33,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178100 35620 150.02 -1991.9 16443 -18435 -18435 -0.00083814 -0.00060956 0.00064766 2.9035e+05 2024-05-08 09:22:49,989 INFO [main.py:798]
{rank 0/64} MD step = 178200 step time: 00:00:00.154900 Performance: 56.668 ns/day 0.424 hours/ns 3.279 steps/s 2024-05-08 09:22:56,317 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 149.23 -1956.9 16355 -18312 -18312 -0.00057146 -0.00030478 0.00057146 2.9052e+05 2024-05-08 09:23:11,744 INFO [main.py:798]
{rank 0/64} MD step = 178300 step time: 00:00:00.142913 Performance: 56.677 ns/day 0.423 hours/ns 3.280 steps/s 2024-05-08 09:23:17,067 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 151.92 -1882.4 16651 -18533 -18533 -0.00049527 -0.00045717 0.00068575 2.9064e+05 2024-05-08 09:23:31,526 INFO [main.py:798]
{rank 0/64} MD step = 178400 step time: 00:00:00.135985 Performance: 56.688 ns/day 0.423 hours/ns 3.281 steps/s 2024-05-08 09:23:45,862 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 149.3 -2164.9 16364 -18529 -18529 -0.00034288 -0.000781 0.00040002 2.9079e+05 2024-05-08 09:24:05,936 INFO [main.py:798]
{rank 0/64} MD step = 178500 step time: 00:00:00.154201 Performance: 56.684 ns/day 0.423 hours/ns 3.280 steps/s 2024-05-08 09:24:12,757 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 149.04 -2193.5 16335 -18528 -18528 -0.00060956 -0.00072385 0.00087624 2.9092e+05 2024-05-08 09:24:26,759 INFO [main.py:798]
{rank 0/64} MD step = 178600 step time: 00:00:00.144409 Performance: 56.694 ns/day 0.423 hours/ns 3.281 steps/s 2024-05-08 09:24:33,178 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 148.9 -1934.2 16320 -18254 -18254 -0.00081909 -0.00046669 0.00057146 2.911e+05 2024-05-08 09:24:47,740 INFO [main.py:798]
{rank 0/64} MD step = 178700 step time: 00:00:00.142429 Performance: 56.704 ns/day 0.423 hours/ns 3.282 steps/s 2024-05-08 09:24:53,378 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 151.03 -1846.8 16554 -18400 -18400 -0.00095243 -0.00061908 0.00080005 2.9124e+05 2024-05-08 09:25:08,139 INFO [main.py:798]
{rank 0/64} MD step = 178800 step time: 00:00:00.152514 Performance: 56.715 ns/day 0.423 hours/ns 3.282 steps/s 2024-05-08 09:25:13,509 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 152.97 -1606.3 16765 -18372 -18372 -0.00080005 -0.00051431 0.00080957 2.9144e+05 2024-05-08 09:25:28,463 INFO [main.py:798]
{rank 0/64} MD step = 178900 step time: 00:00:00.153251 Performance: 56.725 ns/day 0.423 hours/ns 3.283 steps/s 2024-05-08 09:25:34,281 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 151.95 -1573.9 16654 -18228 -18228 -0.0006667 -0.00040002 0.00060956 2.916e+05 2024-05-08 09:25:48,481 INFO [main.py:798]
{rank 0/64} MD step = 179000 step time: 00:00:00.147039 Performance: 56.736 ns/day 0.423 hours/ns 3.283 steps/s 2024-05-08 09:25:54,671 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 149.7 -2093.8 16407 -18501 -18501 -0.00083814 -0.00040002 0.00068575 2.9174e+05 2024-05-08 09:26:09,139 INFO [main.py:798]
{rank 0/64} MD step = 179100 step time: 00:00:00.151776 Performance: 56.746 ns/day 0.423 hours/ns 3.284 steps/s 2024-05-08 09:26:14,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179100 35820 151.36 -1912.3 16589 -18501 -18501 -0.0011429 -0.00094291 0.00013334 2.9187e+05 2024-05-08 09:26:30,287 INFO [main.py:798]
{rank 0/64} MD step = 179200 step time: 00:00:00.155212 Performance: 56.756 ns/day 0.423 hours/ns 3.284 steps/s 2024-05-08 09:26:36,056 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 149.99 -2063.1 16439 -18502 -18502 -0.00060956 -0.00045717 0.00080005 2.92e+05 2024-05-08 09:26:50,946 INFO [main.py:798]
{rank 0/64} MD step = 179300 step time: 00:00:00.160801 Performance: 56.766 ns/day 0.423 hours/ns 3.285 steps/s 2024-05-08 09:26:57,172 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 149.93 -2164.3 16433 -18597 -18597 -0.00085719 -0.00093339 0.00024763 2.9215e+05 2024-05-08 09:27:12,298 INFO [main.py:798]
{rank 0/64} MD step = 179400 step time: 00:00:00.146930 Performance: 56.776 ns/day 0.423 hours/ns 3.286 steps/s 2024-05-08 09:27:16,194 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 150.47 -2013.1 16492 -18505 -18505 -0.000781 -0.00060956 0.00040002 2.9238e+05 2024-05-08 09:27:32,227 INFO [main.py:798]
{rank 0/64} MD step = 179500 step time: 00:00:00.153808 Performance: 56.787 ns/day 0.423 hours/ns 3.286 steps/s 2024-05-08 09:27:38,803 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 149.19 -2089.6 16351 -18441 -18441 -0.0010286 -0.00075242 0.00053336 2.9256e+05 2024-05-08 09:27:53,247 INFO [main.py:798]
{rank 0/64} MD step = 179600 step time: 00:00:00.146796 Performance: 56.796 ns/day 0.423 hours/ns 3.287 steps/s 2024-05-08 09:28:00,286 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 150.38 -1837.8 16482 -18320 -18320 -0.00053336 -0.00083814 0.00051431 2.927e+05 2024-05-08 09:28:15,092 INFO [main.py:798]
{rank 0/64} MD step = 179700 step time: 00:00:00.143059 Performance: 56.805 ns/day 0.422 hours/ns 3.287 steps/s 2024-05-08 09:28:21,051 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 150.6 -1728.2 16506 -18234 -18234 -0.00060956 -0.00068575 0.00064766 2.9287e+05 2024-05-08 09:28:36,092 INFO [main.py:798]
{rank 0/64} MD step = 179800 step time: 00:00:00.152893 Performance: 56.815 ns/day 0.422 hours/ns 3.288 steps/s 2024-05-08 09:28:42,354 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 150.53 -1835.7 16498 -18334 -18334 -0.00087624 -0.00040002 0.0004905 2.9303e+05 2024-05-08 09:28:57,412 INFO [main.py:798]
{rank 0/64} MD step = 179900 step time: 00:00:00.160391 Performance: 56.825 ns/day 0.422 hours/ns 3.288 steps/s 2024-05-08 09:29:04,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179900 35980 149.74 -2169.8 16412 -18581 -18581 -0.00041907 -0.00067623 0.00049527 2.9319e+05 2024-05-08 09:29:19,099 INFO [main.py:798]
{rank 0/64} MD step = 180000 step time: 00:00:00.139575 Performance: 56.834 ns/day 0.422 hours/ns 3.289 steps/s 2024-05-08 09:29:26,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180000 36000 149.83 -2116.4 16421 -18537 -18537 -0.00060956 -0.00060956 0.00034288 2.9332e+05 2024-05-08 09:29:40,664 INFO [main.py:798]
{rank 0/64} MD step = 180100 step time: 00:00:00.152539 Performance: 56.843 ns/day 0.422 hours/ns 3.290 steps/s 2024-05-08 09:29:47,834 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 147.88 -2330 16208 -18538 -18538 -0.00045717 -0.00057146 0.00068575 2.9352e+05 2024-05-08 09:30:02,349 INFO [main.py:798]
{rank 0/64} MD step = 180200 step time: 00:00:00.152518 Performance: 56.852 ns/day 0.422 hours/ns 3.290 steps/s 2024-05-08 09:30:07,009 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 151.94 -1721.5 16653 -18375 -18375 -0.00064766 -0.00068575 0.00041907 2.9367e+05 2024-05-08 09:30:24,702 INFO [main.py:798]
{rank 0/64} MD step = 180300 step time: 00:00:00.158597 Performance: 56.860 ns/day 0.422 hours/ns 3.291 steps/s 2024-05-08 09:30:31,234 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 152.5 -1799.4 16715 -18514 -18514 -0.00072385 -0.00053336 0.00045717 2.9383e+05 2024-05-08 09:30:45,495 INFO [main.py:798]
{rank 0/64} MD step = 180400 step time: 00:00:00.148298 Performance: 56.870 ns/day 0.422 hours/ns 3.291 steps/s 2024-05-08 09:30:53,387 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 149.53 -2137.9 16388 -18526 -18526 -0.00092386 -0.00049527 0.00030478 2.9395e+05 2024-05-08 09:31:07,861 INFO [main.py:798]
{rank 0/64} MD step = 180500 step time: 00:00:00.150670 Performance: 56.878 ns/day 0.422 hours/ns 3.292 steps/s 2024-05-08 09:31:13,142 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 148.89 -2195.8 16319 -18514 -18514 -0.00089529 -0.00057146 0.00041907 2.9418e+05 2024-05-08 09:31:29,484 INFO [main.py:798]
{rank 0/64} MD step = 180600 step time: 00:00:00.151378 Performance: 56.888 ns/day 0.422 hours/ns 3.292 steps/s 2024-05-08 09:31:35,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180600 36120 151.48 -2015.6 16603 -18618 -18618 -0.00045717 -0.00040002 0.00051431 2.9434e+05 2024-05-08 09:31:50,881 INFO [main.py:798]
{rank 0/64} MD step = 180700 step time: 00:00:00.150915 Performance: 56.897 ns/day 0.422 hours/ns 3.293 steps/s 2024-05-08 09:31:56,417 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 149.73 -1941 16411 -18352 -18352 -0.00053336 -0.00043812 0.00053336 2.9448e+05 2024-05-08 09:32:14,624 INFO [main.py:798]
{rank 0/64} MD step = 180800 step time: 00:00:00.162237 Performance: 56.904 ns/day 0.422 hours/ns 3.293 steps/s 2024-05-08 09:32:19,426 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 151.79 -1558.9 16637 -18196 -18196 -0.00045717 -0.00099053 0.00068575 2.9464e+05 2024-05-08 09:32:34,667 INFO [main.py:798]
{rank 0/64} MD step = 180900 step time: 00:00:00.154048 Performance: 56.914 ns/day 0.422 hours/ns 3.294 steps/s 2024-05-08 09:32:40,988 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 150.24 -1713 16466 -18179 -18179 -0.00037145 -0.00064766 0.00051431 2.9483e+05 2024-05-08 09:32:55,149 INFO [main.py:798]
{rank 0/64} MD step = 181000 step time: 00:00:00.145112 Performance: 56.925 ns/day 0.422 hours/ns 3.294 steps/s 2024-05-08 09:33:02,068 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 148.61 -2166.3 16288 -18454 -18454 -0.00053336 -0.0006667 0.00064766 2.9496e+05 2024-05-08 09:33:17,263 INFO [main.py:798]
{rank 0/64} MD step = 181100 step time: 00:00:00.161487 Performance: 56.933 ns/day 0.422 hours/ns 3.295 steps/s 2024-05-08 09:33:24,167 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 149.76 -1874.5 16414 -18288 -18288 -0.00047622 -0.00045717 0.00041907 2.9515e+05 2024-05-08 09:33:39,405 INFO [main.py:798]
{rank 0/64} MD step = 181200 step time: 00:00:00.163126 Performance: 56.942 ns/day 0.421 hours/ns 3.295 steps/s 2024-05-08 09:33:47,173 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 150.52 -1676.2 16498 -18174 -18174 -0.000781 -0.00055241 0.00064766 2.9529e+05 2024-05-08 09:34:01,750 INFO [main.py:798]
{rank 0/64} MD step = 181300 step time: 00:00:00.144287 Performance: 56.950 ns/day 0.421 hours/ns 3.296 steps/s 2024-05-08 09:34:13,502 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 149 -2067.7 16331 -18399 -18399 -0.00095243 -0.00038097 0.00068575 2.9548e+05 2024-05-08 09:34:28,775 INFO [main.py:798]
{rank 0/64} MD step = 181400 step time: 00:00:00.137070 Performance: 56.953 ns/day 0.421 hours/ns 3.296 steps/s 2024-05-08 09:34:34,786 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 150.38 -1701.2 16481 -18183 -18183 -0.0007048 -0.00085719 0.00057146 2.9563e+05 2024-05-08 09:34:50,341 INFO [main.py:798]
{rank 0/64} MD step = 181500 step time: 00:00:00.143675 Performance: 56.962 ns/day 0.421 hours/ns 3.296 steps/s 2024-05-08 09:34:58,668 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 147.03 -2345.1 16115 -18460 -18460 -0.00023811 -0.0011429 0.00049527 2.9578e+05 2024-05-08 09:35:13,924 INFO [main.py:798]
{rank 0/64} MD step = 181600 step time: 00:00:00.152956 Performance: 56.969 ns/day 0.421 hours/ns 3.297 steps/s 2024-05-08 09:35:23,199 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 149.01 -2020.8 16332 -18352 -18352 -0.00076195 -0.00041907 0.00087624 2.9596e+05 2024-05-08 09:35:37,860 INFO [main.py:798]
{rank 0/64} MD step = 181700 step time: 00:00:00.140390 Performance: 56.976 ns/day 0.421 hours/ns 3.297 steps/s 2024-05-08 09:35:44,964 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 148.98 -1902.6 16328 -18231 -18231 -0.00087624 -0.00030478 0.00034288 2.9615e+05 2024-05-08 09:36:00,080 INFO [main.py:798]
{rank 0/64} MD step = 181800 step time: 00:00:00.157543 Performance: 56.984 ns/day 0.421 hours/ns 3.298 steps/s 2024-05-08 09:36:05,566 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 150.54 -1719 16500 -18219 -18219 -0.00044764 -0.000781 0.00047622 2.9632e+05 2024-05-08 09:36:21,076 INFO [main.py:798]
{rank 0/64} MD step = 181900 step time: 00:00:00.145119 Performance: 56.994 ns/day 0.421 hours/ns 3.298 steps/s 2024-05-08 09:36:29,192 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 149.14 -2123.9 16346 -18470 -18470 -0.0010477 -0.00075242 0.00076195 2.9648e+05 2024-05-08 09:36:44,032 INFO [main.py:798]
{rank 0/64} MD step = 182000 step time: 00:00:00.152212 Performance: 57.002 ns/day 0.421 hours/ns 3.299 steps/s 2024-05-08 09:36:51,496 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 149.12 -2094 16343 -18437 -18437 -0.00046669 -0.00076195 0.00026668 2.9665e+05 2024-05-08 09:37:07,086 INFO [main.py:798]
{rank 0/64} MD step = 182100 step time: 00:00:00.162780 Performance: 57.009 ns/day 0.421 hours/ns 3.299 steps/s 2024-05-08 09:37:11,532 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 152.6 -1721.1 16725 -18446 -18446 -0.00072385 -0.00019049 0.00083814 2.9682e+05 2024-05-08 09:37:26,902 INFO [main.py:798]
{rank 0/64} MD step = 182200 step time: 00:00:00.138275 Performance: 57.020 ns/day 0.421 hours/ns 3.300 steps/s 2024-05-08 09:37:33,373 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 151.94 -1634 16653 -18287 -18287 -0.00080005 -0.00087624 0.00080005 2.9697e+05 2024-05-08 09:37:48,590 INFO [main.py:798]
{rank 0/64} MD step = 182300 step time: 00:00:00.156109 Performance: 57.029 ns/day 0.421 hours/ns 3.300 steps/s 2024-05-08 09:37:53,815 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 151.11 -1793.5 16561 -18355 -18355 -0.00064766 -0.00068575 0.00055241 2.9714e+05 2024-05-08 09:38:09,063 INFO [main.py:798]
{rank 0/64} MD step = 182400 step time: 00:00:00.155738 Performance: 57.039 ns/day 0.421 hours/ns 3.301 steps/s 2024-05-08 09:38:15,203 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 151.21 -1663.7 16572 -18236 -18236 -0.00051431 -0.00080005 0.00051431 2.9735e+05 2024-05-08 09:38:29,488 INFO [main.py:798]
{rank 0/64} MD step = 182500 step time: 00:00:00.148276 Performance: 57.049 ns/day 0.421 hours/ns 3.301 steps/s 2024-05-08 09:38:35,561 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 149.04 -1794.9 16335 -18130 -18130 -0.00030478 -0.00087624 0.00038097 2.9756e+05 2024-05-08 09:38:50,779 INFO [main.py:798]
{rank 0/64} MD step = 182600 step time: 00:00:00.162050 Performance: 57.059 ns/day 0.421 hours/ns 3.302 steps/s 2024-05-08 09:38:55,878 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 148.75 -1864.9 16303 -18168 -18168 -0.00087624 -0.00036193 0.00049527 2.9769e+05 2024-05-08 09:39:11,070 INFO [main.py:798]
{rank 0/64} MD step = 182700 step time: 00:00:00.155212 Performance: 57.069 ns/day 0.421 hours/ns 3.303 steps/s 2024-05-08 09:39:14,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182700 36540 149.64 -2030 16401 -18431 -18431 -0.00091434 -0.00089529 0.00085719 2.9786e+05 2024-05-08 09:39:31,728 INFO [main.py:798]
{rank 0/64} MD step = 182800 step time: 00:00:00.159701 Performance: 57.079 ns/day 0.420 hours/ns 3.303 steps/s 2024-05-08 09:39:37,567 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 151.39 -2169.1 16593 -18762 -18762 -0.00080005 -0.00087624 0.00076195 2.9802e+05 2024-05-08 09:39:52,216 INFO [main.py:798]
{rank 0/64} MD step = 182900 step time: 00:00:00.146860 Performance: 57.089 ns/day 0.420 hours/ns 3.304 steps/s 2024-05-08 09:39:55,965 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 150.46 -1867.3 16491 -18358 -18358 -0.00081909 -0.00088576 0.00072385 2.9821e+05 2024-05-08 09:40:11,721 INFO [main.py:798]
{rank 0/64} MD step = 183000 step time: 00:00:00.136876 Performance: 57.100 ns/day 0.420 hours/ns 3.304 steps/s 2024-05-08 09:40:18,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183000 36600 149.47 -1930.3 16382 -18313 -18313 -0.00076195 -0.00080957 0.00026668 2.9837e+05 2024-05-08 09:40:33,969 INFO [main.py:798]
{rank 0/64} MD step = 183100 step time: 00:00:00.146244 Performance: 57.108 ns/day 0.420 hours/ns 3.305 steps/s 2024-05-08 09:40:40,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183100 36620 151.31 -1709.7 16584 -18294 -18294 -0.00053336 -0.00075242 0.00068575 2.9852e+05 2024-05-08 09:40:55,263 INFO [main.py:798]
{rank 0/64} MD step = 183200 step time: 00:00:00.160025 Performance: 57.117 ns/day 0.420 hours/ns 3.305 steps/s 2024-05-08 09:41:00,503 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 150.16 -1910.9 16457 -18368 -18368 -0.00038097 -0.00069528 0.00060956 2.9871e+05 2024-05-08 09:41:15,855 INFO [main.py:798]
{rank 0/64} MD step = 183300 step time: 00:00:00.140303 Performance: 57.127 ns/day 0.420 hours/ns 3.306 steps/s 2024-05-08 09:41:21,177 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 146.8 -2432.6 16089 -18522 -18522 -0.00080005 -0.00028573 0.00080005 2.9882e+05 2024-05-08 09:41:36,033 INFO [main.py:798]
{rank 0/64} MD step = 183400 step time: 00:00:00.137035 Performance: 57.138 ns/day 0.420 hours/ns 3.307 steps/s 2024-05-08 09:41:41,419 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 151.13 -1826.4 16564 -18391 -18391 -0.000781 -0.00033335 3.8097e-05 2.99e+05 2024-05-08 09:41:56,270 INFO [main.py:798]
{rank 0/64} MD step = 183500 step time: 00:00:00.160398 Performance: 57.148 ns/day 0.420 hours/ns 3.307 steps/s 2024-05-08 09:42:00,754 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 149.67 -1925.1 16404 -18329 -18329 -0.00080005 -0.00087624 0.00058099 2.9914e+05 2024-05-08 09:42:18,797 INFO [main.py:798]
{rank 0/64} MD step = 183600 step time: 00:00:00.140688 Performance: 57.156 ns/day 0.420 hours/ns 3.308 steps/s 2024-05-08 09:42:24,511 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 152.02 -1684.6 16662 -18346 -18346 -0.0010667 -0.00053336 0.00099053 2.993e+05 2024-05-08 09:42:39,156 INFO [main.py:798]
{rank 0/64} MD step = 183700 step time: 00:00:00.143551 Performance: 57.166 ns/day 0.420 hours/ns 3.308 steps/s 2024-05-08 09:42:44,336 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 150.88 -2085.7 16536 -18622 -18622 -0.00015239 -0.00027621 0.00091434 2.9949e+05 2024-05-08 09:42:59,896 INFO [main.py:798]
{rank 0/64} MD step = 183800 step time: 00:00:00.146447 Performance: 57.176 ns/day 0.420 hours/ns 3.309 steps/s 2024-05-08 09:43:05,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183800 36760 149.64 -2213.2 16401 -18614 -18614 -0.00072385 -0.00057146 0.00041907 2.9957e+05 2024-05-08 09:43:20,569 INFO [main.py:798]
{rank 0/64} MD step = 183900 step time: 00:00:00.157626 Performance: 57.186 ns/day 0.420 hours/ns 3.309 steps/s 2024-05-08 09:43:26,823 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 150.31 -1895.9 16475 -18370 -18370 -0.00026668 -0.00093339 -0.00015239 2.9982e+05 2024-05-08 09:43:41,889 INFO [main.py:798]
{rank 0/64} MD step = 184000 step time: 00:00:00.145611 Performance: 57.195 ns/day 0.420 hours/ns 3.310 steps/s 2024-05-08 09:43:48,629 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 152.43 -1585.5 16706 -18291 -18291 -0.00024763 -0.00076195 0.00055241 2.9992e+05 2024-05-08 09:44:03,898 INFO [main.py:798]
{rank 0/64} MD step = 184100 step time: 00:00:00.150732 Performance: 57.203 ns/day 0.420 hours/ns 3.310 steps/s 2024-05-08 09:44:09,467 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 149.77 -2133.3 16415 -18548 -18548 -0.0010858 -0.00076195 0.00045717 3.0007e+05 2024-05-08 09:44:26,162 INFO [main.py:798]
{rank 0/64} MD step = 184200 step time: 00:00:00.177928 Performance: 57.212 ns/day 0.419 hours/ns 3.311 steps/s 2024-05-08 09:44:33,300 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 147.87 -2346.9 16206 -18553 -18553 -0.00045717 -0.00075242 0 3.0022e+05 2024-05-08 09:44:47,686 INFO [main.py:798]
{rank 0/64} MD step = 184300 step time: 00:00:00.159868 Performance: 57.220 ns/day 0.419 hours/ns 3.311 steps/s 2024-05-08 09:44:51,745 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 153.11 -1736.1 16781 -18517 -18517 -0.0006667 -0.00041907 0.00029525 3.0041e+05 2024-05-08 09:45:08,074 INFO [main.py:798]
{rank 0/64} MD step = 184400 step time: 00:00:00.148396 Performance: 57.231 ns/day 0.419 hours/ns 3.312 steps/s 2024-05-08 09:45:14,228 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 149.13 -1958.8 16345 -18304 -18304 -0.00075242 -0.00060956 0.00080005 3.0057e+05 2024-05-08 09:45:29,829 INFO [main.py:798]
{rank 0/64} MD step = 184500 step time: 00:00:00.157586 Performance: 57.239 ns/day 0.419 hours/ns 3.312 steps/s 2024-05-08 09:45:35,472 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 149.76 -2171.1 16414 -18585 -18585 -0.00091434 -0.00055241 0.00091434 3.0071e+05 2024-05-08 09:45:51,491 INFO [main.py:798]
{rank 0/64} MD step = 184600 step time: 00:00:00.151149 Performance: 57.248 ns/day 0.419 hours/ns 3.313 steps/s 2024-05-08 09:45:57,638 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 147.33 -2167.7 16147 -18315 -18315 -0.00068575 -0.00060956 0.00059051 3.0091e+05 2024-05-08 09:46:12,714 INFO [main.py:798]
{rank 0/64} MD step = 184700 step time: 00:00:00.149161 Performance: 57.257 ns/day 0.419 hours/ns 3.313 steps/s 2024-05-08 09:46:18,516 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 148.72 -2182.3 16300 -18482 -18482 -0.00068575 -0.00053336 0.00095243 3.0103e+05 2024-05-08 09:46:33,690 INFO [main.py:798]
{rank 0/64} MD step = 184800 step time: 00:00:00.145377 Performance: 57.267 ns/day 0.419 hours/ns 3.314 steps/s 2024-05-08 09:46:40,574 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 149.74 -1792 16411 -18203 -18203 -0.00068575 -0.00087624 0.00060956 3.0123e+05 2024-05-08 09:46:55,416 INFO [main.py:798]
{rank 0/64} MD step = 184900 step time: 00:00:00.139577 Performance: 57.275 ns/day 0.419 hours/ns 3.315 steps/s 2024-05-08 09:47:00,276 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 150.51 -1833.8 16496 -18330 -18330 -0.00081909 -0.00062861 0.00060956 3.0136e+05 2024-05-08 09:47:18,023 INFO [main.py:798]
{rank 0/64} MD step = 185000 step time: 00:00:00.168147 Performance: 57.283 ns/day 0.419 hours/ns 3.315 steps/s 2024-05-08 09:47:26,589 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 152.02 -1631.3 16662 -18293 -18293 -0.00083814 -0.00038097 0.00045717 3.015e+05 2024-05-08 09:47:41,109 INFO [main.py:798]
{rank 0/64} MD step = 185100 step time: 00:00:00.138524 Performance: 57.290 ns/day 0.419 hours/ns 3.315 steps/s 2024-05-08 09:47:46,290 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 151.22 -1566.9 16574 -18141 -18141 -0.00045717 -0.00060956 0.00045717 3.0167e+05 2024-05-08 09:48:01,712 INFO [main.py:798]
{rank 0/64} MD step = 185200 step time: 00:00:00.159436 Performance: 57.300 ns/day 0.419 hours/ns 3.316 steps/s 2024-05-08 09:48:06,801 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 150.89 -1663.8 16538 -18202 -18202 -0.00055241 -0.00045717 0.00055241 3.0181e+05 2024-05-08 09:48:22,280 INFO [main.py:798]
{rank 0/64} MD step = 185300 step time: 00:00:00.133449 Performance: 57.310 ns/day 0.419 hours/ns 3.317 steps/s 2024-05-08 09:48:27,998 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 149.49 -1813 16385 -18198 -18198 -0.00080005 -0.00052384 0.00041907 3.0194e+05 2024-05-08 09:48:43,931 INFO [main.py:798]
{rank 0/64} MD step = 185400 step time: 00:00:00.149883 Performance: 57.319 ns/day 0.419 hours/ns 3.317 steps/s 2024-05-08 09:48:49,534 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 149.05 -2037.3 16336 -18373 -18373 -0.00057146 -0.00080005 0.00073337 3.0208e+05 2024-05-08 09:49:03,760 INFO [main.py:798]
{rank 0/64} MD step = 185500 step time: 00:00:00.152721 Performance: 57.329 ns/day 0.419 hours/ns 3.318 steps/s 2024-05-08 09:49:10,916 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 151.48 -2141.6 16602 -18744 -18744 -0.00089529 -0.00051431 0.00034288 3.0222e+05 2024-05-08 09:49:25,392 INFO [main.py:798]
{rank 0/64} MD step = 185600 step time: 00:00:00.143677 Performance: 57.338 ns/day 0.419 hours/ns 3.318 steps/s 2024-05-08 09:49:29,159 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 148.37 -2155.9 16262 -18418 -18418 -0.00061908 -0.00081909 0.00081909 3.024e+05 2024-05-08 09:49:46,230 INFO [main.py:798]
{rank 0/64} MD step = 185700 step time: 00:00:00.182067 Performance: 57.348 ns/day 0.419 hours/ns 3.319 steps/s 2024-05-08 09:49:52,190 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 149.94 -2040.3 16434 -18474 -18474 -0.00064766 -0.00040002 0.00041907 3.0254e+05 2024-05-08 09:50:07,164 INFO [main.py:798]
{rank 0/64} MD step = 185800 step time: 00:00:00.147199 Performance: 57.357 ns/day 0.418 hours/ns 3.319 steps/s 2024-05-08 09:50:13,717 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 147.83 -2040.2 16202 -18242 -18242 -0.00041907 -0.00059051 0.00049527 3.0272e+05 2024-05-08 09:50:27,973 INFO [main.py:798]
{rank 0/64} MD step = 185900 step time: 00:00:00.142492 Performance: 57.366 ns/day 0.418 hours/ns 3.320 steps/s 2024-05-08 09:50:34,036 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 150.45 -2093.4 16490 -18583 -18583 -0.00083814 -0.00026668 0.00045717 3.0291e+05 2024-05-08 09:50:48,329 INFO [main.py:798]
{rank 0/64} MD step = 186000 step time: 00:00:00.136642 Performance: 57.376 ns/day 0.418 hours/ns 3.320 steps/s 2024-05-08 09:50:54,396 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 150.69 -1938.4 16516 -18454 -18454 -0.00040002 -0.0007429 0.0007429 3.031e+05 2024-05-08 09:51:09,336 INFO [main.py:798]
{rank 0/64} MD step = 186100 step time: 00:00:00.146729 Performance: 57.386 ns/day 0.418 hours/ns 3.321 steps/s 2024-05-08 09:51:15,242 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 147.9 -2218.3 16210 -18429 -18429 -0.00036669 -0.00083814 0.00021906 3.0324e+05 2024-05-08 09:51:31,175 INFO [main.py:798]
{rank 0/64} MD step = 186200 step time: 00:00:00.161603 Performance: 57.394 ns/day 0.418 hours/ns 3.321 steps/s 2024-05-08 09:51:36,476 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 151.63 -1818.9 16619 -18438 -18438 -0.00045717 -0.00085719 0.00015239 3.034e+05 2024-05-08 09:51:50,867 INFO [main.py:798]
{rank 0/64} MD step = 186300 step time: 00:00:00.141258 Performance: 57.405 ns/day 0.418 hours/ns 3.322 steps/s 2024-05-08 09:51:58,270 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 149.5 -1853.8 16385 -18239 -18239 -0.00088576 -0.00057146 0.00053336 3.0358e+05 2024-05-08 09:52:12,800 INFO [main.py:798]
{rank 0/64} MD step = 186400 step time: 00:00:00.148956 Performance: 57.413 ns/day 0.418 hours/ns 3.323 steps/s 2024-05-08 09:52:18,056 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 151.61 -1723.4 16616 -18340 -18340 -0.00045717 -0.00083814 0.00060956 3.0371e+05 2024-05-08 09:52:34,496 INFO [main.py:798]
{rank 0/64} MD step = 186500 step time: 00:00:00.144614 Performance: 57.422 ns/day 0.418 hours/ns 3.323 steps/s 2024-05-08 09:52:48,712 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 149.5 -1829.2 16386 -18215 -18215 -0.0007048 -0.00053336 0.00043812 3.0389e+05 2024-05-08 09:53:05,722 INFO [main.py:798]
{rank 0/64} MD step = 186600 step time: 00:00:00.160863 Performance: 57.421 ns/day 0.418 hours/ns 3.323 steps/s 2024-05-08 09:53:09,653 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 150.74 -1824.6 16521 -18346 -18346 -0.00041907 -0.00032383 0.00062861 3.0398e+05 2024-05-08 09:53:26,468 INFO [main.py:798]
{rank 0/64} MD step = 186700 step time: 00:00:00.158688 Performance: 57.430 ns/day 0.418 hours/ns 3.324 steps/s 2024-05-08 09:53:32,597 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 147.17 -2244.3 16130 -18375 -18375 -0.00045717 -0.00083814 0.00049527 3.0416e+05 2024-05-08 09:53:47,814 INFO [main.py:798]
{rank 0/64} MD step = 186800 step time: 00:00:00.160368 Performance: 57.439 ns/day 0.418 hours/ns 3.324 steps/s 2024-05-08 09:53:53,376 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 150.39 -1899.6 16483 -18383 -18383 -0.0003143 -0.00068575 0.00030478 3.0432e+05 2024-05-08 09:54:07,664 INFO [main.py:798]
{rank 0/64} MD step = 186900 step time: 00:00:00.142280 Performance: 57.450 ns/day 0.418 hours/ns 3.325 steps/s 2024-05-08 09:54:12,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186900 37380 150.02 -1876.1 16442 -18318 -18318 -0.00060956 -0.00085719 0.00041907 3.0449e+05 2024-05-08 09:54:29,611 INFO [main.py:798]
{rank 0/64} MD step = 187000 step time: 00:00:00.143153 Performance: 57.458 ns/day 0.418 hours/ns 3.325 steps/s 2024-05-08 09:54:35,689 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 148.95 -2038.7 16325 -18363 -18363 -0.00055241 -0.00080005 0.0004286 3.0465e+05 2024-05-08 09:54:49,147 INFO [main.py:798]
{rank 0/64} MD step = 187100 step time: 00:00:00.136507 Performance: 57.469 ns/day 0.418 hours/ns 3.326 steps/s 2024-05-08 09:54:55,573 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 151.45 -1921 16599 -18520 -18520 -0.00057146 -0.00047622 0.00041907 3.0477e+05 2024-05-08 09:55:10,234 INFO [main.py:798]
{rank 0/64} MD step = 187200 step time: 00:00:00.142635 Performance: 57.478 ns/day 0.418 hours/ns 3.326 steps/s 2024-05-08 09:55:15,880 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 149.96 -1957.5 16435 -18393 -18393 -0.00057146 -0.0007048 0.00087624 3.0493e+05 2024-05-08 09:55:30,373 INFO [main.py:798]
{rank 0/64} MD step = 187300 step time: 00:00:00.148976 Performance: 57.488 ns/day 0.417 hours/ns 3.327 steps/s 2024-05-08 09:55:35,581 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 151.42 -1511.3 16596 -18107 -18107 -0.00060956 -0.00060956 0.00050479 3.0511e+05 2024-05-08 09:55:52,430 INFO [main.py:798]
{rank 0/64} MD step = 187400 step time: 00:00:00.153336 Performance: 57.496 ns/day 0.417 hours/ns 3.327 steps/s 2024-05-08 09:55:57,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187400 37480 149.7 -1853.3 16407 -18260 -18260 -0.00045717 -0.00060956 0.00053336 3.0526e+05 2024-05-08 09:56:12,862 INFO [main.py:798]
{rank 0/64} MD step = 187500 step time: 00:00:00.145412 Performance: 57.506 ns/day 0.417 hours/ns 3.328 steps/s 2024-05-08 09:56:18,220 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 151.83 -1704.1 16641 -18345 -18345 -0.00040002 -0.00081909 0.00080005 3.054e+05 2024-05-08 09:56:36,938 INFO [main.py:798]
{rank 0/64} MD step = 187600 step time: 00:00:00.149140 Performance: 57.512 ns/day 0.417 hours/ns 3.328 steps/s 2024-05-08 09:56:43,053 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 150.84 -1935.9 16532 -18468 -18468 -0.0004286 -0.000781 0.00081909 3.0553e+05 2024-05-08 09:56:57,674 INFO [main.py:798]
{rank 0/64} MD step = 187700 step time: 00:00:00.144520 Performance: 57.522 ns/day 0.417 hours/ns 3.329 steps/s 2024-05-08 09:57:03,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187700 37540 150.15 -1936.9 16456 -18393 -18393 -0.00097148 -0.00027621 0.00038097 3.0571e+05 2024-05-08 09:57:20,354 INFO [main.py:798]
{rank 0/64} MD step = 187800 step time: 00:00:00.157987 Performance: 57.529 ns/day 0.417 hours/ns 3.329 steps/s 2024-05-08 09:57:26,067 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 151.78 -1757.3 16636 -18393 -18393 -0.00076195 -0.00083814 0.00076195 3.0586e+05 2024-05-08 09:57:40,386 INFO [main.py:798]
{rank 0/64} MD step = 187900 step time: 00:00:00.147447 Performance: 57.539 ns/day 0.417 hours/ns 3.330 steps/s 2024-05-08 09:57:46,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187900 37580 150.21 -1783.9 16464 -18248 -18248 -0.00038097 -0.00045717 0.00053336 3.0603e+05 2024-05-08 09:58:00,576 INFO [main.py:798]
{rank 0/64} MD step = 188000 step time: 00:00:00.139743 Performance: 57.549 ns/day 0.417 hours/ns 3.330 steps/s 2024-05-08 09:58:05,422 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 149.59 -1988.4 16395 -18384 -18384 -0.00045717 -0.00053336 0.00053336 3.062e+05 2024-05-08 09:58:21,038 INFO [main.py:798]
{rank 0/64} MD step = 188100 step time: 00:00:00.142178 Performance: 57.559 ns/day 0.417 hours/ns 3.331 steps/s 2024-05-08 09:58:27,151 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 149.1 -2165.3 16341 -18506 -18506 -0.00020954 -0.00060956 0.00060956 3.0632e+05 2024-05-08 09:58:41,625 INFO [main.py:798]
{rank 0/64} MD step = 188200 step time: 00:00:00.144503 Performance: 57.569 ns/day 0.417 hours/ns 3.332 steps/s 2024-05-08 09:58:46,737 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 150.9 -1883.9 16539 -18423 -18423 -0.00067623 -0.00068575 0.00091434 3.0647e+05 2024-05-08 09:59:05,607 INFO [main.py:798]
{rank 0/64} MD step = 188300 step time: 00:00:00.140771 Performance: 57.575 ns/day 0.417 hours/ns 3.332 steps/s 2024-05-08 09:59:11,156 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 150.46 -2005.1 16491 -18496 -18496 -0.00038097 -0.00034288 0.00011429 3.0665e+05 2024-05-08 09:59:27,680 INFO [main.py:798]
{rank 0/64} MD step = 188400 step time: 00:00:00.139314 Performance: 57.583 ns/day 0.417 hours/ns 3.332 steps/s 2024-05-08 09:59:34,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188400 37680 149.13 -2047.5 16345 -18392 -18392 -0.00045717 -0.00083814 0.00057146 3.0681e+05 2024-05-08 09:59:49,192 INFO [main.py:798]
{rank 0/64} MD step = 188500 step time: 00:00:00.137920 Performance: 57.592 ns/day 0.417 hours/ns 3.333 steps/s 2024-05-08 09:59:55,919 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 150.93 -1693.6 16542 -18236 -18236 -0.00034288 -0.00060956 0.00068575 3.0701e+05 2024-05-08 10:00:10,875 INFO [main.py:798]
{rank 0/64} MD step = 188600 step time: 00:00:00.150998 Performance: 57.600 ns/day 0.417 hours/ns 3.333 steps/s 2024-05-08 10:00:16,275 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 148.89 -2069.4 16318 -18387 -18387 -0.00013334 -0.00064766 0.00038097 3.0718e+05 2024-05-08 10:00:31,274 INFO [main.py:798]
{rank 0/64} MD step = 188700 step time: 00:00:00.146372 Performance: 57.610 ns/day 0.417 hours/ns 3.334 steps/s 2024-05-08 10:00:37,538 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 151.32 -1676.8 16585 -18262 -18262 -0.00057146 -0.00060956 0.00030478 3.0735e+05 2024-05-08 10:00:53,236 INFO [main.py:798]
{rank 0/64} MD step = 188800 step time: 00:00:00.156767 Performance: 57.618 ns/day 0.417 hours/ns 3.334 steps/s 2024-05-08 10:00:59,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188800 37760 148.79 -2020.2 16308 -18328 -18328 -0.00045717 -0.00040002 0.00028573 3.075e+05 2024-05-08 10:01:13,966 INFO [main.py:798]
{rank 0/64} MD step = 188900 step time: 00:00:00.151020 Performance: 57.627 ns/day 0.416 hours/ns 3.335 steps/s 2024-05-08 10:01:20,171 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 149.07 -1955.2 16338 -18293 -18293 -0.00080005 -0.00043812 0.000781 3.0766e+05 2024-05-08 10:01:34,497 INFO [main.py:798]
{rank 0/64} MD step = 189000 step time: 00:00:00.144902 Performance: 57.637 ns/day 0.416 hours/ns 3.335 steps/s 2024-05-08 10:01:40,726 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 151.8 -1617.2 16638 -18255 -18255 -0.00053336 -0.00041907 0.00068575 3.0781e+05 2024-05-08 10:01:55,595 INFO [main.py:798]
{rank 0/64} MD step = 189100 step time: 00:00:00.135547 Performance: 57.646 ns/day 0.416 hours/ns 3.336 steps/s 2024-05-08 10:02:01,624 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 149.59 -1917 16396 -18313 -18313 -0.00057146 -0.00083814 0.00037145 3.0798e+05 2024-05-08 10:02:16,958 INFO [main.py:798]
{rank 0/64} MD step = 189200 step time: 00:00:00.139720 Performance: 57.655 ns/day 0.416 hours/ns 3.337 steps/s 2024-05-08 10:02:23,454 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 150.9 -1696.9 16538 -18235 -18235 -0.00043812 -0.00057146 0.00080005 3.0815e+05 2024-05-08 10:02:38,498 INFO [main.py:798]
{rank 0/64} MD step = 189300 step time: 00:00:00.149528 Performance: 57.663 ns/day 0.416 hours/ns 3.337 steps/s 2024-05-08 10:02:44,891 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 151.21 -1937.6 16573 -18510 -18510 -0.00051431 -0.00030478 0.00053336 3.083e+05 2024-05-08 10:03:00,101 INFO [main.py:798]
{rank 0/64} MD step = 189400 step time: 00:00:00.145705 Performance: 57.672 ns/day 0.416 hours/ns 3.337 steps/s 2024-05-08 10:03:05,763 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 149.3 -2004.4 16364 -18368 -18368 -0.00057146 -0.00022858 0.00044764 3.0844e+05 2024-05-08 10:03:21,436 INFO [main.py:798]
{rank 0/64} MD step = 189500 step time: 00:00:00.152414 Performance: 57.681 ns/day 0.416 hours/ns 3.338 steps/s 2024-05-08 10:03:26,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189500 37900 149.44 -1976.4 16378 -18355 -18355 -0.00076195 -0.00055241 0.00043812 3.0858e+05 2024-05-08 10:03:40,763 INFO [main.py:798]
{rank 0/64} MD step = 189600 step time: 00:00:00.145010 Performance: 57.691 ns/day 0.416 hours/ns 3.339 steps/s 2024-05-08 10:03:46,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189600 37920 150.7 -1849.6 16517 -18367 -18367 -0.00045717 -0.00064766 0.00057146 3.087e+05 2024-05-08 10:04:01,262 INFO [main.py:798]
{rank 0/64} MD step = 189700 step time: 00:00:00.144870 Performance: 57.701 ns/day 0.416 hours/ns 3.339 steps/s 2024-05-08 10:04:06,887 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 147.59 -2137 16176 -18313 -18313 -0.00091434 -0.00072385 0.00091434 3.0887e+05 2024-05-08 10:04:25,182 INFO [main.py:798]
{rank 0/64} MD step = 189800 step time: 00:00:00.146093 Performance: 57.707 ns/day 0.416 hours/ns 3.340 steps/s 2024-05-08 10:04:29,909 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 150.78 -2007.3 16526 -18533 -18533 -0.00049527 -0.00051431 0.00046193 3.0905e+05 2024-05-08 10:04:47,765 INFO [main.py:798]
{rank 0/64} MD step = 189900 step time: 00:00:00.147589 Performance: 57.715 ns/day 0.416 hours/ns 3.340 steps/s 2024-05-08 10:04:53,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189900 37980 148.37 -2255.3 16262 -18517 -18517 -0.00047622 -0.00083814 0.00059051 3.0923e+05 2024-05-08 10:05:07,985 INFO [main.py:798]
{rank 0/64} MD step = 190000 step time: 00:00:00.146549 Performance: 57.725 ns/day 0.416 hours/ns 3.341 steps/s 2024-05-08 10:05:16,079 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 149.21 -2258.2 16354 -18612 -18612 -0.00033335 -0.00064766 0.00047622 3.0936e+05 2024-05-08 10:05:30,894 INFO [main.py:798]
{rank 0/64} MD step = 190100 step time: 00:00:00.153166 Performance: 57.732 ns/day 0.416 hours/ns 3.341 steps/s 2024-05-08 10:05:39,210 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 149.79 -2087.4 16417 -18504 -18504 -0.00045717 -0.00083814 0.00041907 3.0958e+05 2024-05-08 10:05:53,465 INFO [main.py:798]
{rank 0/64} MD step = 190200 step time: 00:00:00.147875 Performance: 57.739 ns/day 0.416 hours/ns 3.341 steps/s 2024-05-08 10:05:58,909 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 149.58 -1926.2 16394 -18320 -18320 -0.00097148 -0.00055241 0.00049527 3.0975e+05 2024-05-08 10:06:14,074 INFO [main.py:798]
{rank 0/64} MD step = 190300 step time: 00:00:00.147540 Performance: 57.749 ns/day 0.416 hours/ns 3.342 steps/s 2024-05-08 10:06:24,472 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 151.87 -1985.7 16645 -18631 -18631 -0.00060956 0.00011429 0.00053336 3.0995e+05 2024-05-08 10:06:39,113 INFO [main.py:798]
{rank 0/64} MD step = 190400 step time: 00:00:00.139168 Performance: 57.754 ns/day 0.416 hours/ns 3.342 steps/s 2024-05-08 10:06:48,074 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 150.66 -2008.8 16513 -18522 -18522 -0.0006667 -0.00083814 0.0010096 3.101e+05 2024-05-08 10:07:03,150 INFO [main.py:798]
{rank 0/64} MD step = 190500 step time: 00:00:00.149505 Performance: 57.759 ns/day 0.416 hours/ns 3.343 steps/s 2024-05-08 10:07:06,468 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 149.27 -2141.3 16360 -18501 -18501 -0.00076195 -0.00085719 0.00049527 3.102e+05 2024-05-08 10:07:21,990 INFO [main.py:798]
{rank 0/64} MD step = 190600 step time: 00:00:00.146291 Performance: 57.771 ns/day 0.415 hours/ns 3.343 steps/s 2024-05-08 10:07:28,398 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 151.58 -1909.6 16613 -18523 -18523 -0.0007048 -0.00064766 0.00060956 3.104e+05 2024-05-08 10:07:42,486 INFO [main.py:798]
{rank 0/64} MD step = 190700 step time: 00:00:00.135741 Performance: 57.780 ns/day 0.415 hours/ns 3.344 steps/s 2024-05-08 10:07:49,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190700 38140 149.75 -2127.2 16413 -18541 -18541 -0.00041907 -0.00047622 0.00030478 3.1055e+05 2024-05-08 10:08:04,382 INFO [main.py:798]
{rank 0/64} MD step = 190800 step time: 00:00:00.149832 Performance: 57.788 ns/day 0.415 hours/ns 3.344 steps/s 2024-05-08 10:08:10,714 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 151.25 -1855.4 16577 -18432 -18432 -0.00099053 -0.00085719 0.00049527 3.1073e+05 2024-05-08 10:08:25,484 INFO [main.py:798]
{rank 0/64} MD step = 190900 step time: 00:00:00.158228 Performance: 57.797 ns/day 0.415 hours/ns 3.345 steps/s 2024-05-08 10:08:37,463 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 150.41 -1860 16486 -18346 -18346 -0.00083814 -0.00053336 0.00049527 3.109e+05 2024-05-08 10:08:52,048 INFO [main.py:798]
{rank 0/64} MD step = 191000 step time: 00:00:00.150327 Performance: 57.801 ns/day 0.415 hours/ns 3.345 steps/s 2024-05-08 10:08:58,726 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 149.2 -2025.6 16353 -18378 -18378 -0.00059051 -0.000781 0.00053336 3.1101e+05 2024-05-08 10:09:13,754 INFO [main.py:798]
{rank 0/64} MD step = 191100 step time: 00:00:00.151387 Performance: 57.809 ns/day 0.415 hours/ns 3.345 steps/s 2024-05-08 10:09:20,546 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 150.29 -2082.2 16472 -18554 -18554 -0.00082862 -0.00091434 0.0006048 3.1116e+05 2024-05-08 10:09:35,349 INFO [main.py:798]
{rank 0/64} MD step = 191200 step time: 00:00:00.149929 Performance: 57.817 ns/day 0.415 hours/ns 3.346 steps/s 2024-05-08 10:09:41,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191200 38240 148.05 -2273.4 16226 -18500 -18500 -0.00049527 -0.00060956 0.00038097 3.1135e+05 2024-05-08 10:09:56,890 INFO [main.py:798]
{rank 0/64} MD step = 191300 step time: 00:00:00.155315 Performance: 57.826 ns/day 0.415 hours/ns 3.346 steps/s 2024-05-08 10:10:06,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191300 38260 151.46 -1860.9 16600 -18461 -18461 -0.00068575 -0.00045717 0.00049527 3.115e+05 2024-05-08 10:10:20,981 INFO [main.py:798]
{rank 0/64} MD step = 191400 step time: 00:00:00.143681 Performance: 57.832 ns/day 0.415 hours/ns 3.347 steps/s 2024-05-08 10:10:28,412 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 149.86 -2049 16425 -18474 -18474 -0.00068575 -0.00068575 0.00028573 3.1165e+05 2024-05-08 10:10:44,228 INFO [main.py:798]
{rank 0/64} MD step = 191500 step time: 00:00:00.152374 Performance: 57.838 ns/day 0.415 hours/ns 3.347 steps/s 2024-05-08 10:10:49,126 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 150.16 -1796.7 16458 -18254 -18254 -0.00087624 -0.0007048 0.00036193 3.1184e+05 2024-05-08 10:11:03,770 INFO [main.py:798]
{rank 0/64} MD step = 191600 step time: 00:00:00.161728 Performance: 57.849 ns/day 0.415 hours/ns 3.348 steps/s 2024-05-08 10:11:09,785 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 149.41 -2034.8 16376 -18410 -18410 -0.00095243 -0.00045717 0.00083814 3.12e+05 2024-05-08 10:11:24,040 INFO [main.py:798]
{rank 0/64} MD step = 191700 step time: 00:00:00.142258 Performance: 57.858 ns/day 0.415 hours/ns 3.348 steps/s 2024-05-08 10:11:28,927 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 148.83 -2399.5 16312 -18712 -18712 -0.00076195 -0.00060956 0.00080481 3.1212e+05 2024-05-08 10:11:44,284 INFO [main.py:798]
{rank 0/64} MD step = 191800 step time: 00:00:00.140357 Performance: 57.868 ns/day 0.415 hours/ns 3.349 steps/s 2024-05-08 10:11:49,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191800 38360 150.71 -2214.7 16518 -18733 -18733 -0.00068575 -0.0007429 0.00063813 3.1225e+05 2024-05-08 10:12:04,606 INFO [main.py:798]
{rank 0/64} MD step = 191900 step time: 00:00:00.146043 Performance: 57.878 ns/day 0.415 hours/ns 3.349 steps/s 2024-05-08 10:12:13,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191900 38380 150.53 -2116.9 16498 -18615 -18615 -0.00083814 -0.00071433 0.00062861 3.124e+05 2024-05-08 10:12:28,021 INFO [main.py:798]
{rank 0/64} MD step = 192000 step time: 00:00:00.156750 Performance: 57.884 ns/day 0.415 hours/ns 3.350 steps/s 2024-05-08 10:12:33,362 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 151.43 -2083.8 16597 -18681 -18681 -0.00047622 -0.00053336 0.00080957 3.1256e+05 2024-05-08 10:12:47,844 INFO [main.py:798]
{rank 0/64} MD step = 192100 step time: 00:00:00.155636 Performance: 57.894 ns/day 0.415 hours/ns 3.350 steps/s 2024-05-08 10:12:53,279 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 149.98 -2041.2 16438 -18480 -18480 -0.00038097 -0.0007048 0.00019049 3.1274e+05 2024-05-08 10:13:08,818 INFO [main.py:798]
{rank 0/64} MD step = 192200 step time: 00:00:00.147284 Performance: 57.903 ns/day 0.414 hours/ns 3.351 steps/s 2024-05-08 10:13:16,200 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 149.72 -2096.5 16409 -18506 -18506 -0.00041431 -0.00087624 0.00060956 3.1292e+05 2024-05-08 10:13:30,909 INFO [main.py:798]
{rank 0/64} MD step = 192300 step time: 00:00:00.150909 Performance: 57.911 ns/day 0.414 hours/ns 3.351 steps/s 2024-05-08 10:13:37,766 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 148.98 -2064.6 16328 -18393 -18393 -0.00091434 -0.00090481 0.00080005 3.1308e+05 2024-05-08 10:13:51,820 INFO [main.py:798]
{rank 0/64} MD step = 192400 step time: 00:00:00.152871 Performance: 57.920 ns/day 0.414 hours/ns 3.352 steps/s 2024-05-08 10:13:57,174 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 149.63 -2141 16399 -18540 -18540 -0.0006667 -0.00015239 0.00068575 3.1321e+05 2024-05-08 10:14:11,488 INFO [main.py:798]
{rank 0/64} MD step = 192500 step time: 00:00:00.151811 Performance: 57.930 ns/day 0.414 hours/ns 3.352 steps/s 2024-05-08 10:14:20,577 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 149.12 -2094.4 16344 -18439 -18439 -0.00051431 -0.00093339 0.00068575 3.1345e+05 2024-05-08 10:14:35,841 INFO [main.py:798]
{rank 0/64} MD step = 192600 step time: 00:00:00.144934 Performance: 57.936 ns/day 0.414 hours/ns 3.353 steps/s 2024-05-08 10:14:41,341 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 151.71 -1662 16627 -18289 -18289 -0.00057146 -0.00076195 0.00059051 3.1363e+05 2024-05-08 10:14:56,644 INFO [main.py:798]
{rank 0/64} MD step = 192700 step time: 00:00:00.143404 Performance: 57.945 ns/day 0.414 hours/ns 3.353 steps/s 2024-05-08 10:15:02,366 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 151.05 -1785.1 16555 -18340 -18340 -0.00056194 -0.00064766 0.00076195 3.1377e+05 2024-05-08 10:15:16,937 INFO [main.py:798]
{rank 0/64} MD step = 192800 step time: 00:00:00.138012 Performance: 57.955 ns/day 0.414 hours/ns 3.354 steps/s 2024-05-08 10:15:22,929 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 150.58 -1966.4 16503 -18470 -18470 -0.00060956 -0.00034288 0.00034288 3.1391e+05 2024-05-08 10:15:38,145 INFO [main.py:798]
{rank 0/64} MD step = 192900 step time: 00:00:00.144231 Performance: 57.963 ns/day 0.414 hours/ns 3.354 steps/s 2024-05-08 10:15:44,237 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 149.8 -1902.3 16419 -18321 -18321 -0.0006667 -0.00076195 0.00065718 3.1408e+05 2024-05-08 10:15:58,857 INFO [main.py:798]
{rank 0/64} MD step = 193000 step time: 00:00:00.153836 Performance: 57.973 ns/day 0.414 hours/ns 3.355 steps/s 2024-05-08 10:16:04,207 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 148.94 -2195.3 16324 -18519 -18519 -0.00060956 -0.000781 0.00068575 3.1422e+05 2024-05-08 10:16:19,972 INFO [main.py:798]
{rank 0/64} MD step = 193100 step time: 00:00:00.151187 Performance: 57.981 ns/day 0.414 hours/ns 3.355 steps/s 2024-05-08 10:16:25,762 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 148.45 -2139.8 16270 -18410 -18410 -0.00085719 -0.00082862 0.00050003 3.1441e+05 2024-05-08 10:16:39,910 INFO [main.py:798]
{rank 0/64} MD step = 193200 step time: 00:00:00.145405 Performance: 57.991 ns/day 0.414 hours/ns 3.356 steps/s 2024-05-08 10:16:45,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193200 38640 149.46 -2301.4 16381 -18682 -18682 -0.00040002 -0.00057146 0.00053336 3.1451e+05 2024-05-08 10:17:00,543 INFO [main.py:798]
{rank 0/64} MD step = 193300 step time: 00:00:00.154083 Performance: 58.000 ns/day 0.414 hours/ns 3.357 steps/s 2024-05-08 10:17:06,069 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 150.83 -1997.3 16531 -18529 -18529 -0.00084767 -0.00050479 0.00064766 3.1465e+05 2024-05-08 10:17:20,305 INFO [main.py:798]
{rank 0/64} MD step = 193400 step time: 00:00:00.152253 Performance: 58.011 ns/day 0.414 hours/ns 3.357 steps/s 2024-05-08 10:17:26,628 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 149.29 -2373.1 16362 -18735 -18735 -0.00049527 -0.00053336 0.00087624 3.1478e+05 2024-05-08 10:17:41,934 INFO [main.py:798]
{rank 0/64} MD step = 193500 step time: 00:00:00.161830 Performance: 58.019 ns/day 0.414 hours/ns 3.358 steps/s 2024-05-08 10:17:48,064 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 147.59 -2173.3 16177 -18350 -18350 -0.00053336 -0.00068575 0.0006667 3.1497e+05 2024-05-08 10:18:02,561 INFO [main.py:798]
{rank 0/64} MD step = 193600 step time: 00:00:00.137849 Performance: 58.028 ns/day 0.414 hours/ns 3.358 steps/s 2024-05-08 10:18:09,033 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 149.56 -2049.2 16392 -18441 -18441 -0.00083814 -0.00038097 0.0007048 3.1506e+05 2024-05-08 10:18:23,459 INFO [main.py:798]
{rank 0/64} MD step = 193700 step time: 00:00:00.140021 Performance: 58.037 ns/day 0.414 hours/ns 3.359 steps/s 2024-05-08 10:18:28,520 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 150.03 -1973.7 16443 -18417 -18417 -0.0007048 -0.00064766 0.00030478 3.1523e+05 2024-05-08 10:18:42,595 INFO [main.py:798]
{rank 0/64} MD step = 193800 step time: 00:00:00.158923 Performance: 58.048 ns/day 0.413 hours/ns 3.359 steps/s 2024-05-08 10:18:48,460 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 151.96 -1958 16655 -18613 -18613 -0.00034288 -0.00053336 0.00060956 3.1538e+05 2024-05-08 10:19:02,623 INFO [main.py:798]
{rank 0/64} MD step = 193900 step time: 00:00:00.147714 Performance: 58.057 ns/day 0.413 hours/ns 3.360 steps/s 2024-05-08 10:19:08,874 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 149.46 -2599.8 16381 -18981 -18981 -0.00045717 -0.00064766 0.0007429 3.155e+05 2024-05-08 10:19:23,177 INFO [main.py:798]
{rank 0/64} MD step = 194000 step time: 00:00:00.137626 Performance: 58.067 ns/day 0.413 hours/ns 3.360 steps/s 2024-05-08 10:19:30,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194000 38800 151.24 -2180.5 16576 -18757 -18757 -0.00072385 -0.00022858 0.00053336 3.1567e+05 2024-05-08 10:19:46,131 INFO [main.py:798]
{rank 0/64} MD step = 194100 step time: 00:00:00.177065 Performance: 58.074 ns/day 0.413 hours/ns 3.361 steps/s 2024-05-08 10:19:52,414 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 150.66 -2115.2 16512 -18627 -18627 -0.00053336 -0.00081909 0.00062861 3.1588e+05 2024-05-08 10:20:07,398 INFO [main.py:798]
{rank 0/64} MD step = 194200 step time: 00:00:00.144979 Performance: 58.082 ns/day 0.413 hours/ns 3.361 steps/s 2024-05-08 10:20:13,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194200 38840 150.93 -2232.1 16542 -18774 -18774 -0.00058099 -0.00060956 0.00087624 3.1605e+05 2024-05-08 10:20:27,360 INFO [main.py:798]
{rank 0/64} MD step = 194300 step time: 00:00:00.143398 Performance: 58.092 ns/day 0.413 hours/ns 3.362 steps/s 2024-05-08 10:20:33,372 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 147.64 -2304.8 16182 -18486 -18486 -0.00049527 -0.00053336 0.0007048 3.1622e+05 2024-05-08 10:20:47,452 INFO [main.py:798]
{rank 0/64} MD step = 194400 step time: 00:00:00.148161 Performance: 58.102 ns/day 0.413 hours/ns 3.362 steps/s 2024-05-08 10:20:53,402 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 147.44 -2203.8 16160 -18364 -18364 -0.0007048 -0.00080005 0.00022858 3.1641e+05 2024-05-08 10:21:08,140 INFO [main.py:798]
{rank 0/64} MD step = 194500 step time: 00:00:00.156140 Performance: 58.111 ns/day 0.413 hours/ns 3.363 steps/s 2024-05-08 10:21:13,313 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 150.82 -2025.9 16531 -18556 -18556 -0.00083814 -0.0007429 0.00051908 3.1655e+05 2024-05-08 10:21:28,106 INFO [main.py:798]
{rank 0/64} MD step = 194600 step time: 00:00:00.146157 Performance: 58.121 ns/day 0.413 hours/ns 3.363 steps/s 2024-05-08 10:21:34,223 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 151.02 -1712 16552 -18264 -18264 -0.00080005 -0.00060956 0.00049527 3.1669e+05 2024-05-08 10:21:49,075 INFO [main.py:798]
{rank 0/64} MD step = 194700 step time: 00:00:00.162199 Performance: 58.129 ns/day 0.413 hours/ns 3.364 steps/s 2024-05-08 10:21:55,545 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 149.25 -2052.3 16358 -18410 -18410 -0.00068575 -0.00036193 0.00064766 3.1682e+05 2024-05-08 10:22:11,147 INFO [main.py:798]
{rank 0/64} MD step = 194800 step time: 00:00:00.147847 Performance: 58.137 ns/day 0.413 hours/ns 3.364 steps/s 2024-05-08 10:22:14,944 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 153.07 -1415 16776 -18191 -18191 -0.00068575 -0.00045717 0.00087624 3.1697e+05 2024-05-08 10:22:30,908 INFO [main.py:798]
{rank 0/64} MD step = 194900 step time: 00:00:00.144788 Performance: 58.147 ns/day 0.413 hours/ns 3.365 steps/s 2024-05-08 10:22:36,949 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 151.43 -1736.1 16597 -18333 -18333 -0.00064766 -0.0007048 0.00045717 3.1715e+05 2024-05-08 10:22:51,914 INFO [main.py:798]
{rank 0/64} MD step = 195000 step time: 00:00:00.154390 Performance: 58.156 ns/day 0.413 hours/ns 3.365 steps/s 2024-05-08 10:22:56,988 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 149.24 -1806 16357 -18163 -18163 -0.00087624 -0.00080005 0.00041907 3.1732e+05 2024-05-08 10:23:12,133 INFO [main.py:798]
{rank 0/64} MD step = 195100 step time: 00:00:00.142099 Performance: 58.165 ns/day 0.413 hours/ns 3.366 steps/s 2024-05-08 10:23:17,045 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 150.27 -1986.7 16469 -18456 -18456 -0.00062861 -0.00053336 0.00062861 3.1747e+05 2024-05-08 10:23:32,853 INFO [main.py:798]
{rank 0/64} MD step = 195200 step time: 00:00:00.159923 Performance: 58.174 ns/day 0.413 hours/ns 3.367 steps/s 2024-05-08 10:23:38,236 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 149.41 -1896.5 16375 -18272 -18272 -0.0011048 -0.00071433 0.0006667 3.177e+05 2024-05-08 10:23:53,625 INFO [main.py:798]
{rank 0/64} MD step = 195300 step time: 00:00:00.146904 Performance: 58.183 ns/day 0.412 hours/ns 3.367 steps/s 2024-05-08 10:23:58,467 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 148.85 -2128.9 16314 -18443 -18443 -0.00059051 -0.00030478 0.00076195 3.1783e+05 2024-05-08 10:24:12,930 INFO [main.py:798]
{rank 0/64} MD step = 195400 step time: 00:00:00.145195 Performance: 58.194 ns/day 0.412 hours/ns 3.368 steps/s 2024-05-08 10:24:17,958 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 149.3 -2039.1 16363 -18402 -18402 -0.00063813 -0.00080005 0.0006667 3.1801e+05 2024-05-08 10:24:31,922 INFO [main.py:798]
{rank 0/64} MD step = 195500 step time: 00:00:00.141275 Performance: 58.204 ns/day 0.412 hours/ns 3.368 steps/s 2024-05-08 10:24:38,593 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 151.59 -1699.5 16614 -18314 -18314 -0.00062861 -0.00064766 0.00057146 3.1819e+05 2024-05-08 10:24:53,130 INFO [main.py:798]
{rank 0/64} MD step = 195600 step time: 00:00:00.144191 Performance: 58.213 ns/day 0.412 hours/ns 3.369 steps/s 2024-05-08 10:24:58,649 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 149.83 -2066.7 16422 -18489 -18489 -0.00041907 -0.00087624 0.00075242 3.183e+05 2024-05-08 10:25:13,521 INFO [main.py:798]
{rank 0/64} MD step = 195700 step time: 00:00:00.150580 Performance: 58.222 ns/day 0.412 hours/ns 3.369 steps/s 2024-05-08 10:25:18,837 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 151.97 -1627.3 16656 -18284 -18284 -0.00068575 -0.00036193 0.00049527 3.1848e+05 2024-05-08 10:25:33,427 INFO [main.py:798]
{rank 0/64} MD step = 195800 step time: 00:00:00.152390 Performance: 58.232 ns/day 0.412 hours/ns 3.370 steps/s 2024-05-08 10:25:39,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195800 39160 151.03 -1898.2 16553 -18451 -18451 -0.00041907 -0.0007048 0.0006667 3.1863e+05 2024-05-08 10:25:55,354 INFO [main.py:798]
{rank 0/64} MD step = 195900 step time: 00:00:00.138240 Performance: 58.240 ns/day 0.412 hours/ns 3.370 steps/s 2024-05-08 10:26:04,158 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 150.47 -1932.4 16492 -18424 -18424 -0.00047622 -0.00038097 0.00036193 3.1878e+05 2024-05-08 10:26:19,270 INFO [main.py:798]
{rank 0/64} MD step = 196000 step time: 00:00:00.149460 Performance: 58.246 ns/day 0.412 hours/ns 3.371 steps/s 2024-05-08 10:26:25,028 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 151.05 -1722.8 16555 -18278 -18278 -0.00094291 -0.00087624 0.000781 3.1895e+05 2024-05-08 10:26:39,865 INFO [main.py:798]
{rank 0/64} MD step = 196100 step time: 00:00:00.160608 Performance: 58.255 ns/day 0.412 hours/ns 3.371 steps/s 2024-05-08 10:26:47,541 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 149.47 -2029.1 16382 -18411 -18411 -0.00065718 -0.00068575 0.00072385 3.1907e+05 2024-05-08 10:27:02,864 INFO [main.py:798]
{rank 0/64} MD step = 196200 step time: 00:00:00.148252 Performance: 58.261 ns/day 0.412 hours/ns 3.372 steps/s 2024-05-08 10:27:11,132 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 150.65 -1873 16512 -18385 -18385 -0.00068575 -0.00032383 0.00064766 3.192e+05 2024-05-08 10:27:26,356 INFO [main.py:798]
{rank 0/64} MD step = 196300 step time: 00:00:00.142151 Performance: 58.267 ns/day 0.412 hours/ns 3.372 steps/s 2024-05-08 10:27:34,665 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 147.48 -2266.8 16164 -18431 -18431 -0.00069528 -0.00053336 0.00043812 3.1936e+05 2024-05-08 10:27:49,593 INFO [main.py:798]
{rank 0/64} MD step = 196400 step time: 00:00:00.142528 Performance: 58.274 ns/day 0.412 hours/ns 3.372 steps/s 2024-05-08 10:27:55,781 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 149.71 -1896 16408 -18304 -18304 -0.00045717 -0.00099053 0.00051431 3.1961e+05 2024-05-08 10:28:10,477 INFO [main.py:798]
{rank 0/64} MD step = 196500 step time: 00:00:00.150359 Performance: 58.283 ns/day 0.412 hours/ns 3.373 steps/s 2024-05-08 10:28:15,696 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 149.37 -1911.5 16372 -18283 -18283 -0.00080005 -0.00047622 0.00076195 3.1974e+05 2024-05-08 10:28:30,898 INFO [main.py:798]
{rank 0/64} MD step = 196600 step time: 00:00:00.143700 Performance: 58.292 ns/day 0.412 hours/ns 3.373 steps/s 2024-05-08 10:28:37,777 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 149.7 -1920.2 16407 -18328 -18328 -0.0007429 -0.00030478 0.00087624 3.1987e+05 2024-05-08 10:28:52,409 INFO [main.py:798]
{rank 0/64} MD step = 196700 step time: 00:00:00.140606 Performance: 58.300 ns/day 0.412 hours/ns 3.374 steps/s 2024-05-08 10:29:01,962 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 150.25 -1805.1 16468 -18273 -18273 -0.0007429 -0.00053336 0.00015239 3.2007e+05 2024-05-08 10:29:17,233 INFO [main.py:798]
{rank 0/64} MD step = 196800 step time: 00:00:00.139788 Performance: 58.305 ns/day 0.412 hours/ns 3.374 steps/s 2024-05-08 10:29:32,463 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 151.08 -1764.3 16558 -18323 -18323 -0.00080005 -0.00087624 0.00083814 3.2024e+05 2024-05-08 10:29:47,656 INFO [main.py:798]
{rank 0/64} MD step = 196900 step time: 00:00:00.140308 Performance: 58.304 ns/day 0.412 hours/ns 3.374 steps/s 2024-05-08 10:29:55,637 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 153.55 -1529.5 16829 -18359 -18359 -0.00057146 -0.00045717 0.0007048 3.2046e+05 2024-05-08 10:30:10,519 INFO [main.py:798]
{rank 0/64} MD step = 197000 step time: 00:00:00.145162 Performance: 58.311 ns/day 0.412 hours/ns 3.374 steps/s 2024-05-08 10:30:17,390 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 149.55 -1918.4 16391 -18309 -18309 -0.00060956 -0.00072385 0.00057146 3.2058e+05 2024-05-08 10:30:32,187 INFO [main.py:798]
{rank 0/64} MD step = 197100 step time: 00:00:00.144169 Performance: 58.319 ns/day 0.412 hours/ns 3.375 steps/s 2024-05-08 10:30:40,451 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 149.1 -2114.5 16342 -18457 -18457 -0.0006667 -0.00076195 0.00045717 3.2074e+05 2024-05-08 10:30:54,954 INFO [main.py:798]
{rank 0/64} MD step = 197200 step time: 00:00:00.148816 Performance: 58.326 ns/day 0.411 hours/ns 3.375 steps/s 2024-05-08 10:31:01,455 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 150.35 -1762.4 16479 -18241 -18241 -0.00076195 -0.00043812 0.0006667 3.2093e+05 2024-05-08 10:31:16,239 INFO [main.py:798]
{rank 0/64} MD step = 197300 step time: 00:00:00.173268 Performance: 58.334 ns/day 0.411 hours/ns 3.376 steps/s 2024-05-08 10:31:22,959 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 154.59 -1491.5 16943 -18435 -18435 -0.00043812 -0.00024763 0.00045717 3.2109e+05 2024-05-08 10:31:37,737 INFO [main.py:798]
{rank 0/64} MD step = 197400 step time: 00:00:00.142741 Performance: 58.342 ns/day 0.411 hours/ns 3.376 steps/s 2024-05-08 10:31:44,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197400 39480 150.07 -1849.5 16447 -18297 -18297 -0.00059051 -0.00091434 0.00092386 3.2131e+05 2024-05-08 10:31:58,616 INFO [main.py:798]
{rank 0/64} MD step = 197500 step time: 00:00:00.145727 Performance: 58.351 ns/day 0.411 hours/ns 3.377 steps/s 2024-05-08 10:32:04,134 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 150.11 -1907.4 16452 -18360 -18360 -0.00083814 -0.00064766 0.00015239 3.2145e+05 2024-05-08 10:32:18,589 INFO [main.py:798]
{rank 0/64} MD step = 197600 step time: 00:00:00.142799 Performance: 58.360 ns/day 0.411 hours/ns 3.377 steps/s 2024-05-08 10:32:24,074 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 150.32 -2112 16476 -18588 -18588 -0.0010667 -0.00081909 0.00052384 3.2166e+05 2024-05-08 10:32:38,737 INFO [main.py:798]
{rank 0/64} MD step = 197700 step time: 00:00:00.155356 Performance: 58.370 ns/day 0.411 hours/ns 3.378 steps/s 2024-05-08 10:32:46,076 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 149.23 -2104.8 16356 -18461 -18461 -0.00047622 -0.00083814 0.00087624 3.218e+05 2024-05-08 10:33:01,142 INFO [main.py:798]
{rank 0/64} MD step = 197800 step time: 00:00:00.141879 Performance: 58.377 ns/day 0.411 hours/ns 3.378 steps/s 2024-05-08 10:33:07,046 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 151.02 -1895.8 16552 -18448 -18448 -0.00023811 -0.00076195 0.00045717 3.2202e+05 2024-05-08 10:33:21,839 INFO [main.py:798]
{rank 0/64} MD step = 197900 step time: 00:00:00.140097 Performance: 58.386 ns/day 0.411 hours/ns 3.379 steps/s 2024-05-08 10:33:28,441 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 149.78 -1878.1 16416 -18294 -18294 -0.00057146 -0.00072385 0.00036193 3.2214e+05 2024-05-08 10:33:43,613 INFO [main.py:798]
{rank 0/64} MD step = 198000 step time: 00:00:00.143938 Performance: 58.394 ns/day 0.411 hours/ns 3.379 steps/s 2024-05-08 10:33:49,383 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 149.08 -2181.7 16339 -18521 -18521 -0.00034288 -0.00041907 0.00038097 3.2226e+05 2024-05-08 10:34:04,379 INFO [main.py:798]
{rank 0/64} MD step = 198100 step time: 00:00:00.146106 Performance: 58.402 ns/day 0.411 hours/ns 3.380 steps/s 2024-05-08 10:34:12,020 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 150.33 -2253.8 16476 -18730 -18730 -0.00072385 -0.00030478 0.00083814 3.2241e+05 2024-05-08 10:34:26,550 INFO [main.py:798]
{rank 0/64} MD step = 198200 step time: 00:00:00.145271 Performance: 58.410 ns/day 0.411 hours/ns 3.380 steps/s 2024-05-08 10:34:32,689 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 149.53 -2052.8 16389 -18442 -18442 -0.00062861 -0.00041907 0.00064766 3.226e+05 2024-05-08 10:34:47,246 INFO [main.py:798]
{rank 0/64} MD step = 198300 step time: 00:00:00.142067 Performance: 58.419 ns/day 0.411 hours/ns 3.381 steps/s 2024-05-08 10:34:54,148 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 149.84 -2153.5 16422 -18576 -18576 -0.00040002 -0.00053336 0.00045717 3.2275e+05 2024-05-08 10:35:09,495 INFO [main.py:798]
{rank 0/64} MD step = 198400 step time: 00:00:00.138635 Performance: 58.426 ns/day 0.411 hours/ns 3.381 steps/s 2024-05-08 10:35:14,998 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 150.96 -2032.3 16545 -18578 -18578 -0.00051431 -0.00083814 0.00068575 3.2289e+05 2024-05-08 10:35:29,991 INFO [main.py:798]
{rank 0/64} MD step = 198500 step time: 00:00:00.147647 Performance: 58.435 ns/day 0.411 hours/ns 3.382 steps/s 2024-05-08 10:35:35,553 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 150.65 -1881.3 16512 -18393 -18393 -0.00053336 -0.00044764 0.00057146 3.2303e+05 2024-05-08 10:35:50,361 INFO [main.py:798]
{rank 0/64} MD step = 198600 step time: 00:00:00.153813 Performance: 58.444 ns/day 0.411 hours/ns 3.382 steps/s 2024-05-08 10:35:55,988 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 148.97 -2085.1 16327 -18412 -18412 -0.00072385 -0.00038097 0.00062861 3.2319e+05 2024-05-08 10:36:09,816 INFO [main.py:798]
{rank 0/64} MD step = 198700 step time: 00:00:00.137616 Performance: 58.454 ns/day 0.411 hours/ns 3.383 steps/s 2024-05-08 10:36:20,581 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 149.23 -2195.3 16355 -18551 -18551 -0.00043812 -0.00043812 0.00083814 3.2337e+05 2024-05-08 10:36:34,752 INFO [main.py:798]
{rank 0/64} MD step = 198800 step time: 00:00:00.141654 Performance: 58.459 ns/day 0.411 hours/ns 3.383 steps/s 2024-05-08 10:36:43,107 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 148.98 -1973.7 16328 -18302 -18302 -0.00041907 -0.0006667 0.00057146 3.2353e+05 2024-05-08 10:36:58,234 INFO [main.py:798]
{rank 0/64} MD step = 198900 step time: 00:00:00.145692 Performance: 58.465 ns/day 0.411 hours/ns 3.383 steps/s 2024-05-08 10:37:06,512 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 148.77 -2081.1 16306 -18387 -18387 -0.00080005 -0.00087624 0.00043812 3.2372e+05 2024-05-08 10:37:20,913 INFO [main.py:798]
{rank 0/64} MD step = 199000 step time: 00:00:00.151266 Performance: 58.472 ns/day 0.410 hours/ns 3.384 steps/s 2024-05-08 10:37:25,200 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 150.19 -2021.2 16461 -18482 -18482 -0.0006667 -0.00072385 0.00064766 3.2386e+05 2024-05-08 10:37:40,722 INFO [main.py:798]
{rank 0/64} MD step = 199100 step time: 00:00:00.155458 Performance: 58.481 ns/day 0.410 hours/ns 3.384 steps/s 2024-05-08 10:37:46,816 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 148.07 -2151.4 16228 -18380 -18380 -0.00045717 -0.00091434 0.00063813 3.2404e+05 2024-05-08 10:38:00,732 INFO [main.py:798]
{rank 0/64} MD step = 199200 step time: 00:00:00.146533 Performance: 58.491 ns/day 0.410 hours/ns 3.385 steps/s 2024-05-08 10:38:06,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199200 39840 149.7 -2089.3 16407 -18496 -18496 -0.00061908 -0.00064766 0.00076195 3.2417e+05 2024-05-08 10:38:21,659 INFO [main.py:798]
{rank 0/64} MD step = 199300 step time: 00:00:00.149662 Performance: 58.499 ns/day 0.410 hours/ns 3.385 steps/s 2024-05-08 10:38:28,200 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 150.76 -1932 16523 -18455 -18455 -0.00022858 -0.00068575 0.00091434 3.2435e+05 2024-05-08 10:38:43,215 INFO [main.py:798]
{rank 0/64} MD step = 199400 step time: 00:00:00.152248 Performance: 58.507 ns/day 0.410 hours/ns 3.386 steps/s 2024-05-08 10:38:49,218 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 149.71 -2056.8 16408 -18465 -18465 -0.00075242 -0.00038097 0.00044764 3.2454e+05 2024-05-08 10:39:04,474 INFO [main.py:798]
{rank 0/64} MD step = 199500 step time: 00:00:00.132092 Performance: 58.516 ns/day 0.410 hours/ns 3.386 steps/s 2024-05-08 10:39:16,615 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 149.5 -1951.5 16385 -18337 -18337 -0.00068575 -0.00028573 0.00087624 3.247e+05 2024-05-08 10:39:30,919 INFO [main.py:798]
{rank 0/64} MD step = 199600 step time: 00:00:00.150242 Performance: 58.519 ns/day 0.410 hours/ns 3.386 steps/s 2024-05-08 10:39:37,379 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 150.09 -2269.6 16450 -18719 -18719 -0.00038097 -0.00047622 0.00060956 3.2487e+05 2024-05-08 10:39:52,937 INFO [main.py:798]
{rank 0/64} MD step = 199700 step time: 00:00:00.140518 Performance: 58.526 ns/day 0.410 hours/ns 3.387 steps/s 2024-05-08 10:40:00,132 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 150.75 -1938.6 16522 -18461 -18461 -0.00057146 -0.00080005 0.00040002 3.2504e+05 2024-05-08 10:40:16,230 INFO [main.py:798]
{rank 0/64} MD step = 199800 step time: 00:00:00.180435 Performance: 58.532 ns/day 0.410 hours/ns 3.387 steps/s 2024-05-08 10:40:23,018 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 149.03 -2085 16333 -18418 -18418 -0.00081909 -0.00045717 0.0003905 3.2526e+05 2024-05-08 10:40:38,856 INFO [main.py:798]
{rank 0/64} MD step = 199900 step time: 00:00:00.151866 Performance: 58.539 ns/day 0.410 hours/ns 3.388 steps/s 2024-05-08 10:40:45,059 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 150.01 -1997.3 16441 -18438 -18438 -0.00049527 -0.00026668 0.0003905 3.254e+05 2024-05-08 10:41:00,832 INFO [main.py:798]
{rank 0/64} MD step = 200000 step time: 00:00:00.156876 Performance: 58.547 ns/day 0.410 hours/ns 3.388 steps/s 2024-05-08 10:41:07,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200000 40000 152.33 -1733.5 16695 -18429 -18429 -0.00097148 -0.00083814 0.00057146 3.2553e+05 2024-05-08 10:41:23,088 INFO [main.py:798]
{rank 0/64} MD step = 200100 step time: 00:00:00.161025 Performance: 58.554 ns/day 0.410 hours/ns 3.389 steps/s 2024-05-08 10:41:28,587 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 151.19 -1830.9 16571 -18402 -18402 -0.00064766 -0.00081909 0.00049527 3.257e+05 2024-05-08 10:41:43,877 INFO [main.py:798]
{rank 0/64} MD step = 200200 step time: 00:00:00.166099 Performance: 58.562 ns/day 0.410 hours/ns 3.389 steps/s 2024-05-08 10:41:47,595 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 147.6 -2243.9 16177 -18421 -18421 -0.00042383 -0.00064766 0.00053336 3.2586e+05 2024-05-08 10:42:04,256 INFO [main.py:798]
{rank 0/64} MD step = 200300 step time: 00:00:00.150499 Performance: 58.572 ns/day 0.410 hours/ns 3.390 steps/s 2024-05-08 10:42:09,495 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 150.2 -1987.3 16462 -18449 -18449 -0.00049527 -0.00053336 0.00045717 3.2599e+05 2024-05-08 10:42:25,053 INFO [main.py:798]
{rank 0/64} MD step = 200400 step time: 00:00:00.150924 Performance: 58.580 ns/day 0.410 hours/ns 3.390 steps/s 2024-05-08 10:42:32,859 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 151.94 -1973.2 16653 -18626 -18626 -0.00060956 -0.00057146 0.00049527 3.2618e+05 2024-05-08 10:42:48,278 INFO [main.py:798]
{rank 0/64} MD step = 200500 step time: 00:00:00.158847 Performance: 58.586 ns/day 0.410 hours/ns 3.390 steps/s 2024-05-08 10:42:53,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200500 40100 152.84 -1661.4 16751 -18412 -18412 -0.00026668 -0.00060956 0.00038097 3.2631e+05 2024-05-08 10:43:09,208 INFO [main.py:798]
{rank 0/64} MD step = 200600 step time: 00:00:00.164564 Performance: 58.595 ns/day 0.410 hours/ns 3.391 steps/s 2024-05-08 10:43:15,144 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 149.53 -2028.3 16389 -18417 -18417 -0.00030478 -0.00053336 0.00072385 3.2646e+05 2024-05-08 10:43:30,694 INFO [main.py:798]
{rank 0/64} MD step = 200700 step time: 00:00:00.155797 Performance: 58.603 ns/day 0.410 hours/ns 3.391 steps/s 2024-05-08 10:43:36,416 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 153.55 -1663.8 16830 -18493 -18493 -0.00068575 -0.000781 0.00053336 3.2667e+05 2024-05-08 10:43:51,773 INFO [main.py:798]
{rank 0/64} MD step = 200800 step time: 00:00:00.156989 Performance: 58.611 ns/day 0.409 hours/ns 3.392 steps/s 2024-05-08 10:43:58,492 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 147.86 -2400.5 16205 -18606 -18606 -0.00083814 -0.00057146 0.00046669 3.2678e+05 2024-05-08 10:44:14,656 INFO [main.py:798]
{rank 0/64} MD step = 200900 step time: 00:00:00.157954 Performance: 58.618 ns/day 0.409 hours/ns 3.392 steps/s 2024-05-08 10:44:22,541 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 148.26 -2107.6 16250 -18357 -18357 -0.00059051 -0.00083814 0.00068575 3.2697e+05 2024-05-08 10:44:38,024 INFO [main.py:798]
{rank 0/64} MD step = 201000 step time: 00:00:00.164904 Performance: 58.624 ns/day 0.409 hours/ns 3.393 steps/s 2024-05-08 10:44:43,734 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 149.33 -2170.8 16367 -18537 -18537 -0.00072385 -0.00087624 0.00081909 3.2708e+05 2024-05-08 10:44:58,945 INFO [main.py:798]
{rank 0/64} MD step = 201100 step time: 00:00:00.150588 Performance: 58.632 ns/day 0.409 hours/ns 3.393 steps/s 2024-05-08 10:45:04,684 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 149.41 -2081.8 16376 -18458 -18458 -0.00089529 -0.00099053 0.00085719 3.2727e+05 2024-05-08 10:45:20,923 INFO [main.py:798]
{rank 0/64} MD step = 201200 step time: 00:00:00.144782 Performance: 58.640 ns/day 0.409 hours/ns 3.393 steps/s 2024-05-08 10:45:27,438 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 152.39 -1714.2 16703 -18417 -18417 -0.00051431 -0.0006667 0.0010667 3.2743e+05 2024-05-08 10:45:43,405 INFO [main.py:798]
{rank 0/64} MD step = 201300 step time: 00:00:00.145147 Performance: 58.646 ns/day 0.409 hours/ns 3.394 steps/s 2024-05-08 10:45:49,639 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 150.35 -2041.4 16479 -18520 -18520 -0.0003905 -0.00038097 0.00091434 3.2763e+05 2024-05-08 10:46:06,119 INFO [main.py:798]
{rank 0/64} MD step = 201400 step time: 00:00:00.158424 Performance: 58.653 ns/day 0.409 hours/ns 3.394 steps/s 2024-05-08 10:46:12,753 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 149.8 -2003.1 16418 -18422 -18422 -0.00034288 -0.00022858 0.00030478 3.278e+05 2024-05-08 10:46:28,747 INFO [main.py:798]
{rank 0/64} MD step = 201500 step time: 00:00:00.144025 Performance: 58.660 ns/day 0.409 hours/ns 3.395 steps/s 2024-05-08 10:46:35,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201500 40300 150.34 -1792.2 16478 -18270 -18270 -0.0010667 -0.00080005 0.000781 3.2791e+05 2024-05-08 10:46:51,529 INFO [main.py:798]
{rank 0/64} MD step = 201600 step time: 00:00:00.143777 Performance: 58.666 ns/day 0.409 hours/ns 3.395 steps/s 2024-05-08 10:47:01,466 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 150.11 -2193.5 16452 -18646 -18646 -0.00088576 -0.00080005 0.00052384 3.2807e+05 2024-05-08 10:47:17,386 INFO [main.py:798]
{rank 0/64} MD step = 201700 step time: 00:00:00.145418 Performance: 58.670 ns/day 0.409 hours/ns 3.395 steps/s 2024-05-08 10:47:22,397 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 149.63 -1915 16399 -18314 -18314 -0.00038097 -0.00030478 0.0007429 3.2821e+05 2024-05-08 10:47:38,207 INFO [main.py:798]
{rank 0/64} MD step = 201800 step time: 00:00:00.150193 Performance: 58.679 ns/day 0.409 hours/ns 3.396 steps/s 2024-05-08 10:47:43,216 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 149.29 -1948.8 16362 -18311 -18311 -0.0006667 -0.00030478 0.00081909 3.2833e+05 2024-05-08 10:47:59,312 INFO [main.py:798]
{rank 0/64} MD step = 201900 step time: 00:00:00.164414 Performance: 58.687 ns/day 0.409 hours/ns 3.396 steps/s 2024-05-08 10:48:04,444 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 149.77 -2135.8 16415 -18551 -18551 -0.00045717 -0.0003905 0.00076195 3.2849e+05 2024-05-08 10:48:20,122 INFO [main.py:798]
{rank 0/64} MD step = 202000 step time: 00:00:00.154643 Performance: 58.695 ns/day 0.409 hours/ns 3.397 steps/s 2024-05-08 10:48:24,397 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 150.3 -2037 16473 -18510 -18510 -0.00076195 -0.00068575 0.00068575 3.2864e+05 2024-05-08 10:48:40,857 INFO [main.py:798]
{rank 0/64} MD step = 202100 step time: 00:00:00.154268 Performance: 58.704 ns/day 0.409 hours/ns 3.397 steps/s 2024-05-08 10:48:48,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202100 40420 147.97 -2180.8 16218 -18398 -18398 -0.00076195 -0.00047622 0.00068575 3.288e+05 2024-05-08 10:49:04,428 INFO [main.py:798]
{rank 0/64} MD step = 202200 step time: 00:00:00.154938 Performance: 58.710 ns/day 0.409 hours/ns 3.398 steps/s 2024-05-08 10:49:09,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202200 40440 149.31 -1987.6 16365 -18352 -18352 -0.00099053 -0.00060956 0.00060956 3.2895e+05 2024-05-08 10:49:25,252 INFO [main.py:798]
{rank 0/64} MD step = 202300 step time: 00:00:00.160856 Performance: 58.718 ns/day 0.409 hours/ns 3.398 steps/s 2024-05-08 10:49:30,522 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 151.49 -1776.1 16604 -18380 -18380 -0.00060956 -0.00062861 0.00068575 3.2908e+05 2024-05-08 10:49:46,030 INFO [main.py:798]
{rank 0/64} MD step = 202400 step time: 00:00:00.154372 Performance: 58.727 ns/day 0.409 hours/ns 3.399 steps/s 2024-05-08 10:49:50,914 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 149.9 -1774.9 16430 -18205 -18205 -0.00081909 -0.00053813 0.00049527 3.2927e+05 2024-05-08 10:50:07,056 INFO [main.py:798]
{rank 0/64} MD step = 202500 step time: 00:00:00.156806 Performance: 58.735 ns/day 0.409 hours/ns 3.399 steps/s 2024-05-08 10:50:13,385 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 148.61 -2081.1 16288 -18369 -18369 -0.00027621 -0.00076195 0.00068575 3.2936e+05 2024-05-08 10:50:33,616 INFO [main.py:798]
{rank 0/64} MD step = 202600 step time: 00:00:00.151671 Performance: 58.738 ns/day 0.409 hours/ns 3.399 steps/s 2024-05-08 10:50:40,819 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 149.83 -1847.3 16422 -18269 -18269 -0.0007048 -0.00043812 0.00087624 3.2952e+05 2024-05-08 10:50:56,495 INFO [main.py:798]
{rank 0/64} MD step = 202700 step time: 00:00:00.156956 Performance: 58.744 ns/day 0.409 hours/ns 3.400 steps/s 2024-05-08 10:51:02,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202700 40540 150.46 -1922.3 16490 -18413 -18413 -0.00067623 -0.00080005 0.00055241 3.2967e+05 2024-05-08 10:51:18,274 INFO [main.py:798]
{rank 0/64} MD step = 202800 step time: 00:00:00.151935 Performance: 58.752 ns/day 0.408 hours/ns 3.400 steps/s 2024-05-08 10:51:23,664 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 150.16 -1799.1 16458 -18257 -18257 -0.00072385 -0.00034288 0.00069052 3.2988e+05 2024-05-08 10:51:39,642 INFO [main.py:798]
{rank 0/64} MD step = 202900 step time: 00:00:00.161414 Performance: 58.760 ns/day 0.408 hours/ns 3.400 steps/s 2024-05-08 10:51:46,572 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 147.66 -2098.2 16184 -18282 -18282 -0.00053336 -0.00080005 0.00018096 3.3003e+05 2024-05-08 10:52:01,991 INFO [main.py:798]
{rank 0/64} MD step = 203000 step time: 00:00:00.152045 Performance: 58.767 ns/day 0.408 hours/ns 3.401 steps/s 2024-05-08 10:52:07,278 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 147.61 -2196.2 16178 -18375 -18375 -0.00053336 -0.00072385 0.00040002 3.3017e+05 2024-05-08 10:52:24,330 INFO [main.py:798]
{rank 0/64} MD step = 203100 step time: 00:00:00.157543 Performance: 58.774 ns/day 0.408 hours/ns 3.401 steps/s 2024-05-08 10:52:30,438 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 150.82 -1819.4 16530 -18349 -18349 -0.0005667 -0.00068575 0.00047622 3.3033e+05 2024-05-08 10:52:46,213 INFO [main.py:798]
{rank 0/64} MD step = 203200 step time: 00:00:00.191610 Performance: 58.781 ns/day 0.408 hours/ns 3.402 steps/s 2024-05-08 10:52:56,091 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 149.58 -2058.7 16394 -18453 -18453 -0.00071433 -0.00099053 0.00017144 3.3051e+05 2024-05-08 10:53:12,108 INFO [main.py:798]
{rank 0/64} MD step = 203300 step time: 00:00:00.163815 Performance: 58.784 ns/day 0.408 hours/ns 3.402 steps/s 2024-05-08 10:53:17,052 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 149.9 -1973.3 16429 -18402 -18402 -0.000781 -0.00083814 0.00043812 3.3064e+05 2024-05-08 10:53:32,551 INFO [main.py:798]
{rank 0/64} MD step = 203400 step time: 00:00:00.161406 Performance: 58.793 ns/day 0.408 hours/ns 3.402 steps/s 2024-05-08 10:53:38,488 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 149.2 -1891.2 16353 -18244 -18244 -0.00060003 -0.00051431 0.00041907 3.308e+05 2024-05-08 10:53:54,208 INFO [main.py:798]
{rank 0/64} MD step = 203500 step time: 00:00:00.146188 Performance: 58.801 ns/day 0.408 hours/ns 3.403 steps/s 2024-05-08 10:53:58,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203500 40700 151.76 -1746.2 16633 -18379 -18379 -0.00045717 -0.00083814 0.00059051 3.3097e+05 2024-05-08 10:54:15,404 INFO [main.py:798]
{rank 0/64} MD step = 203600 step time: 00:00:00.163928 Performance: 58.809 ns/day 0.408 hours/ns 3.403 steps/s 2024-05-08 10:54:21,726 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 150.69 -1907.2 16516 -18423 -18423 -0.0007048 -0.00076195 0.00044764 3.311e+05 2024-05-08 10:54:37,185 INFO [main.py:798]
{rank 0/64} MD step = 203700 step time: 00:00:00.157272 Performance: 58.816 ns/day 0.408 hours/ns 3.404 steps/s 2024-05-08 10:54:44,814 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 148.32 -2161 16257 -18418 -18418 -0.0007429 -0.00054289 0.00045717 3.3129e+05 2024-05-08 10:55:00,287 INFO [main.py:798]
{rank 0/64} MD step = 203800 step time: 00:00:00.148232 Performance: 58.822 ns/day 0.408 hours/ns 3.404 steps/s 2024-05-08 10:55:05,896 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 146.66 -2299.9 16074 -18374 -18374 -0.00043812 -0.00093339 0.00046669 3.3143e+05 2024-05-08 10:55:24,025 INFO [main.py:798]
{rank 0/64} MD step = 203900 step time: 00:00:00.156531 Performance: 58.828 ns/day 0.408 hours/ns 3.404 steps/s 2024-05-08 10:55:31,168 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 149.97 -1909.4 16437 -18346 -18346 -0.00057146 -0.00068575 0.00060956 3.3164e+05 2024-05-08 10:55:48,465 INFO [main.py:798]
{rank 0/64} MD step = 204000 step time: 00:00:00.155787 Performance: 58.833 ns/day 0.408 hours/ns 3.405 steps/s 2024-05-08 10:55:54,636 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 149.26 -1995.4 16359 -18354 -18354 -0.00053336 -0.00040002 0.00045717 3.3185e+05 2024-05-08 10:56:10,092 INFO [main.py:798]
{rank 0/64} MD step = 204100 step time: 00:00:00.150932 Performance: 58.840 ns/day 0.408 hours/ns 3.405 steps/s 2024-05-08 10:56:16,314 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 149.85 -2100.4 16423 -18524 -18524 -0.00093339 -0.00072385 0.00095243 3.3205e+05 2024-05-08 10:56:31,595 INFO [main.py:798]
{rank 0/64} MD step = 204200 step time: 00:00:00.158410 Performance: 58.848 ns/day 0.408 hours/ns 3.406 steps/s 2024-05-08 10:56:37,250 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 150.48 -1880.3 16492 -18373 -18373 -0.00081909 -0.00080005 0.00068575 3.3219e+05 2024-05-08 10:56:53,208 INFO [main.py:798]
{rank 0/64} MD step = 204300 step time: 00:00:00.160236 Performance: 58.856 ns/day 0.408 hours/ns 3.406 steps/s 2024-05-08 10:56:56,470 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 148.78 -2028 16307 -18335 -18335 -0.0007429 -0.00041907 0.00044764 3.3239e+05 2024-05-08 10:57:13,608 INFO [main.py:798]
{rank 0/64} MD step = 204400 step time: 00:00:00.160061 Performance: 58.865 ns/day 0.408 hours/ns 3.407 steps/s 2024-05-08 10:57:19,057 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 150.94 -1875.5 16543 -18418 -18418 -0.0006667 -0.00083814 0.00061908 3.3253e+05 2024-05-08 10:57:35,044 INFO [main.py:798]
{rank 0/64} MD step = 204500 step time: 00:00:00.162139 Performance: 58.872 ns/day 0.408 hours/ns 3.407 steps/s 2024-05-08 10:57:41,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204500 40900 148.12 -2093.3 16235 -18328 -18328 -0.00063337 -0.00064766 0.00085719 3.3269e+05 2024-05-08 10:57:57,058 INFO [main.py:798]
{rank 0/64} MD step = 204600 step time: 00:00:00.162329 Performance: 58.880 ns/day 0.408 hours/ns 3.407 steps/s 2024-05-08 10:58:02,323 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 151.83 -1625 16640 -18265 -18265 -0.00045717 -0.00057146 0.00060956 3.3289e+05 2024-05-08 10:58:18,158 INFO [main.py:798]
{rank 0/64} MD step = 204700 step time: 00:00:00.156665 Performance: 58.888 ns/day 0.408 hours/ns 3.408 steps/s 2024-05-08 10:58:24,418 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 152 -1687.7 16659 -18347 -18347 -0.0003905 -0.00053336 0.00080005 3.3297e+05 2024-05-08 10:58:40,123 INFO [main.py:798]
{rank 0/64} MD step = 204800 step time: 00:00:00.158490 Performance: 58.895 ns/day 0.408 hours/ns 3.408 steps/s 2024-05-08 10:58:45,505 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 152.05 -1749.3 16665 -18414 -18414 -0.00085719 -0.00091434 0.00060956 3.3315e+05 2024-05-08 10:59:01,158 INFO [main.py:798]
{rank 0/64} MD step = 204900 step time: 00:00:00.148933 Performance: 58.903 ns/day 0.407 hours/ns 3.409 steps/s 2024-05-08 10:59:09,881 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 149.59 -2112.5 16395 -18508 -18508 -0.00081909 -0.00049527 0.00061908 3.3324e+05 2024-05-08 10:59:25,743 INFO [main.py:798]
{rank 0/64} MD step = 205000 step time: 00:00:00.168809 Performance: 58.908 ns/day 0.407 hours/ns 3.409 steps/s 2024-05-08 10:59:32,681 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 151.66 -1825.9 16622 -18448 -18448 -0.00049527 -0.00084767 0.00060956 3.334e+05 2024-05-08 10:59:48,202 INFO [main.py:798]
{rank 0/64} MD step = 205100 step time: 00:00:00.160897 Performance: 58.914 ns/day 0.407 hours/ns 3.409 steps/s 2024-05-08 10:59:55,359 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 149.18 -2146.4 16350 -18496 -18496 -0.00064766 -0.00060956 0.00043812 3.3354e+05 2024-05-08 11:00:11,057 INFO [main.py:798]
{rank 0/64} MD step = 205200 step time: 00:00:00.155916 Performance: 58.921 ns/day 0.407 hours/ns 3.410 steps/s 2024-05-08 11:00:17,264 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 150.42 -1832.7 16486 -18319 -18319 -0.00076195 -0.00080005 0.00049527 3.3374e+05 2024-05-08 11:00:32,855 INFO [main.py:798]
{rank 0/64} MD step = 205300 step time: 00:00:00.150901 Performance: 58.928 ns/day 0.407 hours/ns 3.410 steps/s 2024-05-08 11:00:38,020 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 151.31 -1764.3 16583 -18348 -18348 -0.00099053 -0.00067623 0.00060956 3.3388e+05 2024-05-08 11:00:54,166 INFO [main.py:798]
{rank 0/64} MD step = 205400 step time: 00:00:00.159628 Performance: 58.936 ns/day 0.407 hours/ns 3.411 steps/s 2024-05-08 11:01:01,120 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 149.89 -1992.4 16428 -18420 -18420 -0.0007429 -0.00091434 0.00051431 3.3404e+05 2024-05-08 11:01:16,952 INFO [main.py:798]
{rank 0/64} MD step = 205500 step time: 00:00:00.159285 Performance: 58.942 ns/day 0.407 hours/ns 3.411 steps/s 2024-05-08 11:01:22,302 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 148.39 -2381.9 16263 -18645 -18645 3.8097e-05 -0.00058099 0.00047622 3.3421e+05 2024-05-08 11:01:38,662 INFO [main.py:798]
{rank 0/64} MD step = 205600 step time: 00:00:00.155126 Performance: 58.950 ns/day 0.407 hours/ns 3.411 steps/s 2024-05-08 11:01:44,921 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 150.14 -1919.5 16456 -18375 -18375 -0.00052384 -0.00095243 0.0007048 3.3441e+05 2024-05-08 11:02:00,872 INFO [main.py:798]
{rank 0/64} MD step = 205700 step time: 00:00:00.160431 Performance: 58.957 ns/day 0.407 hours/ns 3.412 steps/s 2024-05-08 11:02:07,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205700 41140 151.43 -1790.5 16597 -18388 -18388 -0.00038097 -0.00091434 0.00045717 3.3461e+05 2024-05-08 11:02:23,486 INFO [main.py:798]
{rank 0/64} MD step = 205800 step time: 00:00:00.164429 Performance: 58.963 ns/day 0.407 hours/ns 3.412 steps/s 2024-05-08 11:02:29,566 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 152.47 -1673.9 16711 -18385 -18385 -0.00091434 -0.00095243 0.00053336 3.3473e+05 2024-05-08 11:02:45,632 INFO [main.py:798]
{rank 0/64} MD step = 205900 step time: 00:00:00.169054 Performance: 58.970 ns/day 0.407 hours/ns 3.413 steps/s 2024-05-08 11:02:52,888 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 152.51 -1655.1 16715 -18370 -18370 -0.00060956 -0.00087624 0.00041907 3.3489e+05 2024-05-08 11:03:08,976 INFO [main.py:798]
{rank 0/64} MD step = 206000 step time: 00:00:00.157006 Performance: 58.976 ns/day 0.407 hours/ns 3.413 steps/s 2024-05-08 11:03:14,434 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 149.26 -2157 16360 -18517 -18517 -0.00080005 -0.00045717 0.00064766 3.3501e+05 2024-05-08 11:03:30,676 INFO [main.py:798]
{rank 0/64} MD step = 206100 step time: 00:00:00.160860 Performance: 58.984 ns/day 0.407 hours/ns 3.413 steps/s 2024-05-08 11:03:34,957 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 149.53 -2136.4 16388 -18525 -18525 -0.00064766 -0.00081909 0.00057146 3.3517e+05 2024-05-08 11:03:52,279 INFO [main.py:798]
{rank 0/64} MD step = 206200 step time: 00:00:00.157043 Performance: 58.991 ns/day 0.407 hours/ns 3.414 steps/s 2024-05-08 11:03:58,159 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 150.23 -1765.3 16466 -18231 -18231 -0.00068575 -0.00079052 0.00054289 3.3535e+05 2024-05-08 11:04:14,477 INFO [main.py:798]
{rank 0/64} MD step = 206300 step time: 00:00:00.160163 Performance: 58.998 ns/day 0.407 hours/ns 3.414 steps/s 2024-05-08 11:04:20,484 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 148.56 -2207.1 16283 -18490 -18490 -0.00077147 -0.00060956 0.00064766 3.3554e+05 2024-05-08 11:04:35,946 INFO [main.py:798]
{rank 0/64} MD step = 206400 step time: 00:00:00.158697 Performance: 59.006 ns/day 0.407 hours/ns 3.415 steps/s 2024-05-08 11:04:42,161 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 148.66 -2226 16293 -18519 -18519 -0.0007429 -0.00051431 0.00050479 3.3563e+05 2024-05-08 11:04:58,225 INFO [main.py:798]
{rank 0/64} MD step = 206500 step time: 00:00:00.153923 Performance: 59.012 ns/day 0.407 hours/ns 3.415 steps/s 2024-05-08 11:05:04,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206500 41300 149.44 -2192.5 16378 -18571 -18571 -0.00040002 -0.00083814 0.00055241 3.3583e+05 2024-05-08 11:05:22,216 INFO [main.py:798]
{rank 0/64} MD step = 206600 step time: 00:00:00.156991 Performance: 59.018 ns/day 0.407 hours/ns 3.415 steps/s 2024-05-08 11:05:30,632 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 149.49 -2167.3 16384 -18552 -18552 -0.00079052 -0.00087624 0.00050479 3.3598e+05 2024-05-08 11:05:46,051 INFO [main.py:798]
{rank 0/64} MD step = 206700 step time: 00:00:00.155053 Performance: 59.023 ns/day 0.407 hours/ns 3.416 steps/s 2024-05-08 11:05:52,835 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 151.42 -1827.6 16596 -18423 -18423 -0.00080005 -0.00028573 0.00076195 3.3623e+05 2024-05-08 11:06:08,343 INFO [main.py:798]
{rank 0/64} MD step = 206800 step time: 00:00:00.163253 Performance: 59.030 ns/day 0.407 hours/ns 3.416 steps/s 2024-05-08 11:06:14,526 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 149.73 -1864.6 16411 -18275 -18275 -0.00056194 -0.00057146 0.00026668 3.3635e+05 2024-05-08 11:06:30,599 INFO [main.py:798]
{rank 0/64} MD step = 206900 step time: 00:00:00.161808 Performance: 59.037 ns/day 0.407 hours/ns 3.416 steps/s 2024-05-08 11:06:36,484 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 149.38 -2091.4 16372 -18463 -18463 -0.00084767 -0.00057146 0.0006667 3.3654e+05 2024-05-08 11:06:51,857 INFO [main.py:798]
{rank 0/64} MD step = 207000 step time: 00:00:00.158168 Performance: 59.044 ns/day 0.406 hours/ns 3.417 steps/s 2024-05-08 11:06:58,606 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 148 -2185.6 16221 -18407 -18407 -0.00034288 -0.00034288 0.00026668 3.3669e+05 2024-05-08 11:07:13,542 INFO [main.py:798]
{rank 0/64} MD step = 207100 step time: 00:00:00.148685 Performance: 59.052 ns/day 0.406 hours/ns 3.417 steps/s 2024-05-08 11:07:21,830 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 149.17 -2144.3 16349 -18493 -18493 -0.00076195 -0.00059051 0.00036193 3.3689e+05 2024-05-08 11:07:37,749 INFO [main.py:798]
{rank 0/64} MD step = 207200 step time: 00:00:00.145211 Performance: 59.057 ns/day 0.406 hours/ns 3.418 steps/s 2024-05-08 11:07:45,848 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 148.88 -2059.3 16317 -18377 -18377 -0.00057146 -0.00028573 0.00099053 3.3705e+05 2024-05-08 11:08:02,057 INFO [main.py:798]
{rank 0/64} MD step = 207300 step time: 00:00:00.155565 Performance: 59.061 ns/day 0.406 hours/ns 3.418 steps/s 2024-05-08 11:08:08,672 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 150.76 -1859.8 16523 -18383 -18383 -0.00072385 -0.00060956 0.00019049 3.3721e+05 2024-05-08 11:08:27,793 INFO [main.py:798]
{rank 0/64} MD step = 207400 step time: 00:00:00.155457 Performance: 59.065 ns/day 0.406 hours/ns 3.418 steps/s 2024-05-08 11:08:34,775 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 150.64 -1951.9 16511 -18462 -18462 -0.00045717 -0.00072385 0.00049527 3.3736e+05 2024-05-08 11:08:50,241 INFO [main.py:798]
{rank 0/64} MD step = 207500 step time: 00:00:00.166866 Performance: 59.072 ns/day 0.406 hours/ns 3.418 steps/s 2024-05-08 11:08:55,525 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 148.84 -2123.6 16313 -18437 -18437 -0.00045717 -0.00065718 0.00064766 3.3754e+05 2024-05-08 11:09:13,285 INFO [main.py:798]
{rank 0/64} MD step = 207600 step time: 00:00:00.163253 Performance: 59.078 ns/day 0.406 hours/ns 3.419 steps/s 2024-05-08 11:09:23,247 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 148.28 -2388 16251 -18639 -18639 -0.00013334 -0.00047622 0.00073337 3.377e+05 2024-05-08 11:09:39,074 INFO [main.py:798]
{rank 0/64} MD step = 207700 step time: 00:00:00.164036 Performance: 59.081 ns/day 0.406 hours/ns 3.419 steps/s 2024-05-08 11:09:44,932 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 148.45 -2279 16270 -18549 -18549 -0.0006667 -0.00099053 0.00053336 3.379e+05 2024-05-08 11:10:00,581 INFO [main.py:798]
{rank 0/64} MD step = 207800 step time: 00:00:00.157035 Performance: 59.088 ns/day 0.406 hours/ns 3.419 steps/s 2024-05-08 11:10:06,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207800 41560 151.58 -1736.8 16613 -18350 -18350 -0.00075242 -0.00072385 0.00041907 3.381e+05 2024-05-08 11:10:22,138 INFO [main.py:798]
{rank 0/64} MD step = 207900 step time: 00:00:00.159179 Performance: 59.096 ns/day 0.406 hours/ns 3.420 steps/s 2024-05-08 11:10:26,612 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 149.42 -2078.8 16377 -18456 -18456 -0.00087624 -0.00062861 0.00072385 3.3821e+05 2024-05-08 11:10:42,825 INFO [main.py:798]
{rank 0/64} MD step = 208000 step time: 00:00:00.154541 Performance: 59.104 ns/day 0.406 hours/ns 3.420 steps/s 2024-05-08 11:10:48,102 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 151.47 -2009.5 16601 -18611 -18611 -0.00095243 -0.00053336 0.00034288 3.3838e+05 2024-05-08 11:11:03,776 INFO [main.py:798]
{rank 0/64} MD step = 208100 step time: 00:00:00.155546 Performance: 59.112 ns/day 0.406 hours/ns 3.421 steps/s 2024-05-08 11:11:10,517 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 151.32 -1826.4 16585 -18411 -18411 -0.00036193 -0.00079052 0.00069528 3.3855e+05 2024-05-08 11:11:25,989 INFO [main.py:798]
{rank 0/64} MD step = 208200 step time: 00:00:00.155317 Performance: 59.119 ns/day 0.406 hours/ns 3.421 steps/s 2024-05-08 11:11:31,334 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 150.96 -1631.3 16546 -18177 -18177 -0.00053336 -0.00019049 0.00060956 3.387e+05 2024-05-08 11:11:46,821 INFO [main.py:798]
{rank 0/64} MD step = 208300 step time: 00:00:00.133513 Performance: 59.127 ns/day 0.406 hours/ns 3.422 steps/s 2024-05-08 11:11:53,082 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 151.8 -1700.5 16637 -18338 -18338 -0.00099053 -0.0011048 0.00072385 3.3883e+05 2024-05-08 11:12:09,272 INFO [main.py:798]
{rank 0/64} MD step = 208400 step time: 00:00:00.142560 Performance: 59.134 ns/day 0.406 hours/ns 3.422 steps/s 2024-05-08 11:12:15,072 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 150.09 -2198.3 16450 -18649 -18649 -0.00038097 -0.00041907 0.00080005 3.3892e+05 2024-05-08 11:12:30,594 INFO [main.py:798]
{rank 0/64} MD step = 208500 step time: 00:00:00.149123 Performance: 59.142 ns/day 0.406 hours/ns 3.423 steps/s 2024-05-08 11:12:37,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208500 41700 151.63 -2053.5 16619 -18672 -18672 -0.00047622 -0.00068575 0.00064766 3.3909e+05 2024-05-08 11:12:52,997 INFO [main.py:798]
{rank 0/64} MD step = 208600 step time: 00:00:00.149585 Performance: 59.148 ns/day 0.406 hours/ns 3.423 steps/s 2024-05-08 11:13:02,034 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 152.32 -1814.9 16694 -18509 -18509 -0.00015239 -0.00064766 0.00091434 3.3929e+05 2024-05-08 11:13:17,382 INFO [main.py:798]
{rank 0/64} MD step = 208700 step time: 00:00:00.143654 Performance: 59.153 ns/day 0.406 hours/ns 3.423 steps/s 2024-05-08 11:13:21,827 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 151.28 -1860.5 16580 -18441 -18441 -0.00038097 -0.00045717 -7.6195e-05 3.3947e+05 2024-05-08 11:13:39,315 INFO [main.py:798]
{rank 0/64} MD step = 208800 step time: 00:00:00.134570 Performance: 59.160 ns/day 0.406 hours/ns 3.424 steps/s 2024-05-08 11:13:46,044 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 152.24 -1644 16685 -18329 -18329 -0.00047622 -0.00034288 0.00081909 3.3965e+05 2024-05-08 11:14:02,197 INFO [main.py:798]
{rank 0/64} MD step = 208900 step time: 00:00:00.146460 Performance: 59.166 ns/day 0.406 hours/ns 3.424 steps/s 2024-05-08 11:14:08,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208900 41780 150.98 -2046 16548 -18594 -18594 -0.00041907 -0.00060956 0.00034288 3.3982e+05 2024-05-08 11:14:24,169 INFO [main.py:798]
{rank 0/64} MD step = 209000 step time: 00:00:00.144250 Performance: 59.173 ns/day 0.406 hours/ns 3.424 steps/s 2024-05-08 11:14:29,162 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 149.13 -2074.9 16345 -18420 -18420 -0.00045717 -0.00045717 0.0007429 3.3995e+05 2024-05-08 11:14:45,434 INFO [main.py:798]
{rank 0/64} MD step = 209100 step time: 00:00:00.145493 Performance: 59.181 ns/day 0.406 hours/ns 3.425 steps/s 2024-05-08 11:14:49,840 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 149.85 -2016.8 16424 -18441 -18441 -0.00064766 -0.0007048 0.00053336 3.4012e+05 2024-05-08 11:15:07,359 INFO [main.py:798]
{rank 0/64} MD step = 209200 step time: 00:00:00.146587 Performance: 59.188 ns/day 0.405 hours/ns 3.425 steps/s 2024-05-08 11:15:12,504 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 148.74 -2274.9 16302 -18577 -18577 -0.00060956 -0.00092862 0.00060003 3.4026e+05 2024-05-08 11:15:29,476 INFO [main.py:798]
{rank 0/64} MD step = 209300 step time: 00:00:00.144610 Performance: 59.195 ns/day 0.405 hours/ns 3.426 steps/s 2024-05-08 11:15:34,664 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 148.55 -2208.9 16281 -18490 -18490 -0.00045717 -0.00064766 0.00080005 3.4042e+05 2024-05-08 11:15:52,102 INFO [main.py:798]
{rank 0/64} MD step = 209400 step time: 00:00:00.154900 Performance: 59.201 ns/day 0.405 hours/ns 3.426 steps/s 2024-05-08 11:15:58,889 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 150.02 -2118.9 16442 -18561 -18561 -0.00053336 -0.00045717 0.00068575 3.406e+05 2024-05-08 11:16:15,051 INFO [main.py:798]
{rank 0/64} MD step = 209500 step time: 00:00:00.156013 Performance: 59.207 ns/day 0.405 hours/ns 3.426 steps/s 2024-05-08 11:16:20,519 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 149.73 -1983.3 16411 -18394 -18394 -0.00072385 -0.00067623 0.00041907 3.4074e+05 2024-05-08 11:16:36,607 INFO [main.py:798]
{rank 0/64} MD step = 209600 step time: 00:00:00.158424 Performance: 59.214 ns/day 0.405 hours/ns 3.427 steps/s 2024-05-08 11:16:40,846 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 150.13 -2074.6 16454 -18529 -18529 -0.00040002 -0.00049527 0.00064766 3.409e+05 2024-05-08 11:16:58,261 INFO [main.py:798]
{rank 0/64} MD step = 209700 step time: 00:00:00.150289 Performance: 59.222 ns/day 0.405 hours/ns 3.427 steps/s 2024-05-08 11:17:04,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209700 41940 147.24 -2610.7 16137 -18748 -18748 -0.00083814 -0.00052384 0.00079052 3.411e+05 2024-05-08 11:17:19,927 INFO [main.py:798]
{rank 0/64} MD step = 209800 step time: 00:00:00.160600 Performance: 59.229 ns/day 0.405 hours/ns 3.428 steps/s 2024-05-08 11:17:27,075 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 149.53 -2173.8 16388 -18562 -18562 -0.00059051 -0.00076195 0.00057146 3.4125e+05 2024-05-08 11:17:43,031 INFO [main.py:798]
{rank 0/64} MD step = 209900 step time: 00:00:00.155262 Performance: 59.235 ns/day 0.405 hours/ns 3.428 steps/s 2024-05-08 11:17:49,228 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 148.49 -2523.8 16275 -18798 -18798 -0.00036669 -0.00053336 0.00082862 3.4145e+05 2024-05-08 11:18:05,384 INFO [main.py:798]
{rank 0/64} MD step = 210000 step time: 00:00:00.156317 Performance: 59.241 ns/day 0.405 hours/ns 3.428 steps/s 2024-05-08 11:18:12,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210000 42000 149.82 -2258.1 16420 -18678 -18678 -0.00094291 -0.0004905 0.00068575 3.4162e+05 2024-05-08 11:18:30,415 INFO [main.py:798]
{rank 0/64} MD step = 210100 step time: 00:00:00.153982 Performance: 59.245 ns/day 0.405 hours/ns 3.429 steps/s 2024-05-08 11:18:36,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210100 42020 149.66 -2074.2 16403 -18477 -18477 -0.00051431 -0.0007048 0.00057146 3.4183e+05 2024-05-08 11:18:52,230 INFO [main.py:798]
{rank 0/64} MD step = 210200 step time: 00:00:00.154078 Performance: 59.253 ns/day 0.405 hours/ns 3.429 steps/s 2024-05-08 11:18:57,665 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 147.61 -2223.7 16178 -18402 -18402 -0.00062861 -0.00041907 0.00076195 3.4193e+05 2024-05-08 11:19:13,407 INFO [main.py:798]
{rank 0/64} MD step = 210300 step time: 00:00:00.164891 Performance: 59.260 ns/day 0.405 hours/ns 3.429 steps/s 2024-05-08 11:19:18,772 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 149.25 -2010.9 16358 -18369 -18369 -0.00038097 -0.00053336 0.00030478 3.4208e+05 2024-05-08 11:19:34,508 INFO [main.py:798]
{rank 0/64} MD step = 210400 step time: 00:00:00.156776 Performance: 59.268 ns/day 0.405 hours/ns 3.430 steps/s 2024-05-08 11:19:39,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210400 42080 149.69 -1875.3 16406 -18281 -18281 -0.00087624 -0.00055241 0.0010667 3.4224e+05 2024-05-08 11:19:55,784 INFO [main.py:798]
{rank 0/64} MD step = 210500 step time: 00:00:00.159511 Performance: 59.276 ns/day 0.405 hours/ns 3.430 steps/s 2024-05-08 11:20:01,638 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 148.77 -2006.3 16305 -18311 -18311 -0.0010096 -0.00071433 0.00092386 3.4236e+05 2024-05-08 11:20:17,403 INFO [main.py:798]
{rank 0/64} MD step = 210600 step time: 00:00:00.153775 Performance: 59.283 ns/day 0.405 hours/ns 3.431 steps/s 2024-05-08 11:20:22,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210600 42120 150.68 -1791.3 16515 -18306 -18306 -0.00063813 -0.00052384 0.00099053 3.4252e+05 2024-05-08 11:20:38,396 INFO [main.py:798]
{rank 0/64} MD step = 210700 step time: 00:00:00.149922 Performance: 59.291 ns/day 0.405 hours/ns 3.431 steps/s 2024-05-08 11:20:44,477 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 151.73 -1665.3 16630 -18295 -18295 -0.00060956 -0.00053336 0.00059051 3.4267e+05 2024-05-08 11:21:00,342 INFO [main.py:798]
{rank 0/64} MD step = 210800 step time: 00:00:00.151799 Performance: 59.298 ns/day 0.405 hours/ns 3.432 steps/s 2024-05-08 11:21:05,872 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 148.6 -2161.6 16287 -18449 -18449 -0.00058099 -0.00041907 0.00080005 3.4282e+05 2024-05-08 11:21:24,010 INFO [main.py:798]
{rank 0/64} MD step = 210900 step time: 00:00:00.144253 Performance: 59.303 ns/day 0.405 hours/ns 3.432 steps/s 2024-05-08 11:21:33,945 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 148.89 -2135.2 16318 -18454 -18454 -0.00095243 -0.00045717 0.00083814 3.4296e+05 2024-05-08 11:21:48,921 INFO [main.py:798]
{rank 0/64} MD step = 211000 step time: 00:00:00.163216 Performance: 59.307 ns/day 0.405 hours/ns 3.432 steps/s 2024-05-08 11:21:54,821 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 148.51 -2192.8 16277 -18470 -18470 -0.00068575 -0.00089529 0.00072385 3.4313e+05 2024-05-08 11:22:10,212 INFO [main.py:798]
{rank 0/64} MD step = 211100 step time: 00:00:00.153010 Performance: 59.315 ns/day 0.405 hours/ns 3.433 steps/s 2024-05-08 11:22:18,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211100 42220 150.42 -2055.5 16486 -18542 -18542 -0.00062861 -0.00057146 0.00049527 3.4331e+05 2024-05-08 11:22:33,379 INFO [main.py:798]
{rank 0/64} MD step = 211200 step time: 00:00:00.142356 Performance: 59.320 ns/day 0.405 hours/ns 3.433 steps/s 2024-05-08 11:22:37,012 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 152.36 -1936.8 16698 -18635 -18635 -0.00049527 -0.00018096 0.00091434 3.4344e+05 2024-05-08 11:22:54,437 INFO [main.py:798]
{rank 0/64} MD step = 211300 step time: 00:00:00.154174 Performance: 59.328 ns/day 0.405 hours/ns 3.433 steps/s 2024-05-08 11:22:59,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211300 42260 150.5 -2136.7 16495 -18631 -18631 -0.00091434 -0.00047622 0.00068575 3.4364e+05 2024-05-08 11:23:15,737 INFO [main.py:798]
{rank 0/64} MD step = 211400 step time: 00:00:00.154087 Performance: 59.336 ns/day 0.404 hours/ns 3.434 steps/s 2024-05-08 11:23:21,821 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 149.94 -2067 16434 -18501 -18501 -0.00055241 -0.00053336 0.00057146 3.4376e+05 2024-05-08 11:23:37,590 INFO [main.py:798]
{rank 0/64} MD step = 211500 step time: 00:00:00.157318 Performance: 59.343 ns/day 0.404 hours/ns 3.434 steps/s 2024-05-08 11:23:42,733 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 150.22 -1902 16464 -18366 -18366 -0.00071433 -0.000781 0.00087624 3.4394e+05 2024-05-08 11:23:58,422 INFO [main.py:798]
{rank 0/64} MD step = 211600 step time: 00:00:00.150284 Performance: 59.351 ns/day 0.404 hours/ns 3.435 steps/s 2024-05-08 11:24:02,918 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 149.59 -2152 16395 -18547 -18547 -0.00059051 -0.00034288 0.00079052 3.4412e+05 2024-05-08 11:24:19,958 INFO [main.py:798]
{rank 0/64} MD step = 211700 step time: 00:00:00.149371 Performance: 59.358 ns/day 0.404 hours/ns 3.435 steps/s 2024-05-08 11:24:26,185 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 151.29 -1904.7 16582 -18487 -18487 -0.00081909 -0.00053336 0.00043812 3.4427e+05 2024-05-08 11:24:44,637 INFO [main.py:798]
{rank 0/64} MD step = 211800 step time: 00:00:00.170441 Performance: 59.362 ns/day 0.404 hours/ns 3.435 steps/s 2024-05-08 11:24:50,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211800 42360 148.52 -2222.4 16278 -18500 -18500 -0.00059051 -0.00047622 0.00057146 3.4441e+05 2024-05-08 11:25:09,763 INFO [main.py:798]
{rank 0/64} MD step = 211900 step time: 00:00:00.172311 Performance: 59.366 ns/day 0.404 hours/ns 3.436 steps/s 2024-05-08 11:25:16,088 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 149.9 -1989.5 16429 -18418 -18418 -0.00055241 -0.00031907 0.00064766 3.4458e+05 2024-05-08 11:25:32,322 INFO [main.py:798]
{rank 0/64} MD step = 212000 step time: 00:00:00.167902 Performance: 59.372 ns/day 0.404 hours/ns 3.436 steps/s 2024-05-08 11:25:37,923 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 150.4 -2061.5 16484 -18545 -18545 -0.00050479 -0.00080005 0.0007429 3.4471e+05 2024-05-08 11:25:55,812 INFO [main.py:798]
{rank 0/64} MD step = 212100 step time: 00:00:00.166549 Performance: 59.378 ns/day 0.404 hours/ns 3.436 steps/s 2024-05-08 11:26:05,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212100 42420 149.62 -2259.9 16398 -18658 -18658 -0.00064766 -0.00043812 0.00057146 3.4486e+05 2024-05-08 11:26:21,786 INFO [main.py:798]
{rank 0/64} MD step = 212200 step time: 00:00:00.149710 Performance: 59.381 ns/day 0.404 hours/ns 3.436 steps/s 2024-05-08 11:26:27,198 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 153.06 -1860.5 16775 -18636 -18636 -0.00051431 -0.0004286 0.00051431 3.4503e+05 2024-05-08 11:26:43,312 INFO [main.py:798]
{rank 0/64} MD step = 212300 step time: 00:00:00.157559 Performance: 59.388 ns/day 0.404 hours/ns 3.437 steps/s 2024-05-08 11:26:49,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212300 42460 150.2 -2056.4 16462 -18519 -18519 -0.00060956 -0.00064766 0.00026668 3.4516e+05 2024-05-08 11:27:05,246 INFO [main.py:798]
{rank 0/64} MD step = 212400 step time: 00:00:00.150539 Performance: 59.395 ns/day 0.404 hours/ns 3.437 steps/s 2024-05-08 11:27:10,768 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 148.33 -2143.9 16258 -18402 -18402 -0.00076195 -0.00059051 0.00026668 3.4537e+05 2024-05-08 11:27:27,034 INFO [main.py:798]
{rank 0/64} MD step = 212500 step time: 00:00:00.154126 Performance: 59.402 ns/day 0.404 hours/ns 3.438 steps/s 2024-05-08 11:27:32,230 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 149.07 -2294.8 16339 -18634 -18634 -0.00049527 -0.00053336 0.00083814 3.4552e+05 2024-05-08 11:27:47,564 INFO [main.py:798]
{rank 0/64} MD step = 212600 step time: 00:00:00.164939 Performance: 59.410 ns/day 0.404 hours/ns 3.438 steps/s 2024-05-08 11:27:51,841 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 148.22 -2288.6 16245 -18534 -18534 -0.00060956 -0.00091434 0.00091434 3.4564e+05 2024-05-08 11:28:07,495 INFO [main.py:798]
{rank 0/64} MD step = 212700 step time: 00:00:00.149854 Performance: 59.419 ns/day 0.404 hours/ns 3.439 steps/s 2024-05-08 11:28:14,724 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 150.23 -2076.8 16465 -18542 -18542 -0.00068575 -0.00019049 0.00041907 3.4581e+05 2024-05-08 11:28:30,635 INFO [main.py:798]
{rank 0/64} MD step = 212800 step time: 00:00:00.144484 Performance: 59.425 ns/day 0.404 hours/ns 3.439 steps/s 2024-05-08 11:28:36,088 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 148.73 -2128.1 16301 -18429 -18429 -0.00045717 -0.00060956 0.00038097 3.4598e+05 2024-05-08 11:28:52,200 INFO [main.py:798]
{rank 0/64} MD step = 212900 step time: 00:00:00.151857 Performance: 59.432 ns/day 0.404 hours/ns 3.439 steps/s 2024-05-08 11:28:57,805 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 149.77 -2040.4 16416 -18456 -18456 -0.00080005 -0.00062861 0.00091434 3.4612e+05 2024-05-08 11:29:13,636 INFO [main.py:798]
{rank 0/64} MD step = 213000 step time: 00:00:00.166483 Performance: 59.439 ns/day 0.404 hours/ns 3.440 steps/s 2024-05-08 11:29:18,933 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 149.64 -1961 16400 -18361 -18361 -0.00084767 -0.00020954 0.00020954 3.4628e+05 2024-05-08 11:29:34,699 INFO [main.py:798]
{rank 0/64} MD step = 213100 step time: 00:00:00.150454 Performance: 59.447 ns/day 0.404 hours/ns 3.440 steps/s 2024-05-08 11:29:40,044 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 150.53 -1982.9 16498 -18481 -18481 -0.00045717 -0.00030478 0.00038097 3.4641e+05 2024-05-08 11:29:56,084 INFO [main.py:798]
{rank 0/64} MD step = 213200 step time: 00:00:00.154996 Performance: 59.454 ns/day 0.404 hours/ns 3.441 steps/s 2024-05-08 11:30:01,956 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 148.88 -2044.5 16318 -18362 -18362 -0.00043812 -0.00041907 0.00076195 3.466e+05 2024-05-08 11:30:17,985 INFO [main.py:798]
{rank 0/64} MD step = 213300 step time: 00:00:00.156865 Performance: 59.461 ns/day 0.404 hours/ns 3.441 steps/s 2024-05-08 11:30:27,581 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 149.27 -2213.4 16361 -18574 -18574 -0.00072385 -0.00041907 0.00072385 3.4673e+05 2024-05-08 11:30:42,955 INFO [main.py:798]
{rank 0/64} MD step = 213400 step time: 00:00:00.153372 Performance: 59.465 ns/day 0.404 hours/ns 3.441 steps/s 2024-05-08 11:30:47,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213400 42680 149.55 -2035.5 16391 -18427 -18427 -0.00087624 -0.00030478 0.00072385 3.4692e+05 2024-05-08 11:31:03,816 INFO [main.py:798]
{rank 0/64} MD step = 213500 step time: 00:00:00.154053 Performance: 59.473 ns/day 0.404 hours/ns 3.442 steps/s 2024-05-08 11:31:09,573 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 149.19 -1912.8 16351 -18264 -18264 -0.00045717 -0.00093339 0.00060956 3.471e+05 2024-05-08 11:31:25,163 INFO [main.py:798]
{rank 0/64} MD step = 213600 step time: 00:00:00.151519 Performance: 59.480 ns/day 0.403 hours/ns 3.442 steps/s 2024-05-08 11:31:30,297 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 150.42 -2104.5 16486 -18590 -18590 -0.00049527 -0.00057146 0.00064766 3.4724e+05 2024-05-08 11:31:45,745 INFO [main.py:798]
{rank 0/64} MD step = 213700 step time: 00:00:00.144489 Performance: 59.488 ns/day 0.403 hours/ns 3.443 steps/s 2024-05-08 11:31:55,463 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 149.76 -1702.5 16414 -18116 -18116 -0.00045717 -0.00038097 0.00053336 3.4744e+05 2024-05-08 11:32:10,938 INFO [main.py:798]
{rank 0/64} MD step = 213800 step time: 00:00:00.148039 Performance: 59.492 ns/day 0.403 hours/ns 3.443 steps/s 2024-05-08 11:32:14,692 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 149.46 -2069.1 16381 -18450 -18450 -0.00060956 -0.00080005 0.00062861 3.4758e+05 2024-05-08 11:32:32,222 INFO [main.py:798]
{rank 0/64} MD step = 213900 step time: 00:00:00.153977 Performance: 59.500 ns/day 0.403 hours/ns 3.443 steps/s 2024-05-08 11:32:39,908 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 150.59 -1930.6 16505 -18435 -18435 -0.00057146 -0.00045717 0.00068575 3.4772e+05 2024-05-08 11:32:55,468 INFO [main.py:798]
{rank 0/64} MD step = 214000 step time: 00:00:00.153511 Performance: 59.505 ns/day 0.403 hours/ns 3.444 steps/s 2024-05-08 11:33:00,563 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 149.98 -1900.7 16438 -18339 -18339 -0.00049527 -0.00040955 0.00059051 3.4786e+05 2024-05-08 11:33:17,020 INFO [main.py:798]
{rank 0/64} MD step = 214100 step time: 00:00:00.148232 Performance: 59.512 ns/day 0.403 hours/ns 3.444 steps/s 2024-05-08 11:33:23,360 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 148.95 -2137.2 16325 -18462 -18462 -0.00041907 -0.00030478 0.000781 3.4807e+05 2024-05-08 11:33:39,370 INFO [main.py:798]
{rank 0/64} MD step = 214200 step time: 00:00:00.156379 Performance: 59.519 ns/day 0.403 hours/ns 3.444 steps/s 2024-05-08 11:33:45,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214200 42840 148.04 -2151.9 16225 -18377 -18377 -0.00056194 -0.00020954 0.00087624 3.4824e+05 2024-05-08 11:34:01,370 INFO [main.py:798]
{rank 0/64} MD step = 214300 step time: 00:00:00.153330 Performance: 59.525 ns/day 0.403 hours/ns 3.445 steps/s 2024-05-08 11:34:07,409 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 148.65 -1985.6 16292 -18278 -18278 -0.00037145 -0.00057146 0.0007048 3.4836e+05 2024-05-08 11:34:23,536 INFO [main.py:798]
{rank 0/64} MD step = 214400 step time: 00:00:00.158595 Performance: 59.532 ns/day 0.403 hours/ns 3.445 steps/s 2024-05-08 11:34:34,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214400 42880 147.52 -2288.5 16168 -18457 -18457 -0.00051431 -0.00077623 0.00076195 3.4851e+05 2024-05-08 11:34:51,322 INFO [main.py:798]
{rank 0/64} MD step = 214500 step time: 00:00:00.157729 Performance: 59.533 ns/day 0.403 hours/ns 3.445 steps/s 2024-05-08 11:35:04,299 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 148.14 -2312.2 16236 -18548 -18548 -0.00057146 -0.00060956 0.00059051 3.4862e+05 2024-05-08 11:35:20,383 INFO [main.py:798]
{rank 0/64} MD step = 214600 step time: 00:00:00.156651 Performance: 59.533 ns/day 0.403 hours/ns 3.445 steps/s 2024-05-08 11:35:25,385 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 148.15 -2214.8 16238 -18453 -18453 -0.00065718 -0.00073337 0.00064766 3.488e+05 2024-05-08 11:35:41,522 INFO [main.py:798]
{rank 0/64} MD step = 214700 step time: 00:00:00.164138 Performance: 59.541 ns/day 0.403 hours/ns 3.446 steps/s 2024-05-08 11:35:46,182 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 149.06 -2026.5 16338 -18364 -18364 -0.00062861 -0.00049527 0.00060956 3.49e+05 2024-05-08 11:36:02,147 INFO [main.py:798]
{rank 0/64} MD step = 214800 step time: 00:00:00.151789 Performance: 59.549 ns/day 0.403 hours/ns 3.446 steps/s 2024-05-08 11:36:07,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214800 42960 149.24 -2045.4 16357 -18402 -18402 -0.00026668 -0.00045717 -0.00019049 3.4915e+05 2024-05-08 11:36:23,712 INFO [main.py:798]
{rank 0/64} MD step = 214900 step time: 00:00:00.152443 Performance: 59.556 ns/day 0.403 hours/ns 3.447 steps/s 2024-05-08 11:36:32,793 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 150.73 -1757 16520 -18277 -18277 -0.0010477 -0.00030478 0.00038097 3.4934e+05 2024-05-08 11:36:48,645 INFO [main.py:798]
{rank 0/64} MD step = 215000 step time: 00:00:00.162385 Performance: 59.560 ns/day 0.403 hours/ns 3.447 steps/s 2024-05-08 11:36:54,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215000 43000 151.19 -1809.4 16571 -18380 -18380 -0.00053336 -0.00060956 0.00041907 3.4951e+05 2024-05-08 11:37:11,523 INFO [main.py:798]
{rank 0/64} MD step = 215100 step time: 00:00:00.155191 Performance: 59.566 ns/day 0.403 hours/ns 3.447 steps/s 2024-05-08 11:37:20,597 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 148.46 -2361.7 16271 -18633 -18633 -0.00045717 -0.0007048 0.00057146 3.4964e+05 2024-05-08 11:37:34,558 INFO [main.py:798]
{rank 0/64} MD step = 215200 step time: 00:00:00.151306 Performance: 59.571 ns/day 0.403 hours/ns 3.447 steps/s 2024-05-08 11:37:43,192 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 149.86 -1897.9 16425 -18322 -18322 -0.00047622 -0.00049527 0.00064766 3.4983e+05 2024-05-08 11:37:58,727 INFO [main.py:798]
{rank 0/64} MD step = 215300 step time: 00:00:00.137795 Performance: 59.576 ns/day 0.403 hours/ns 3.448 steps/s 2024-05-08 11:38:05,061 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 149.86 -1909.5 16425 -18334 -18334 -0.00049527 -0.00060956 0.00038097 3.4999e+05 2024-05-08 11:38:20,541 INFO [main.py:798]
{rank 0/64} MD step = 215400 step time: 00:00:00.138948 Performance: 59.583 ns/day 0.403 hours/ns 3.448 steps/s 2024-05-08 11:38:26,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215400 43080 152.15 -1580.9 16676 -18256 -18256 -0.00024763 -0.0006667 0.00052384 3.502e+05 2024-05-08 11:38:42,799 INFO [main.py:798]
{rank 0/64} MD step = 215500 step time: 00:00:00.142655 Performance: 59.589 ns/day 0.403 hours/ns 3.448 steps/s 2024-05-08 11:38:48,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215500 43100 150.38 -2007.4 16482 -18489 -18489 -0.00049527 -0.00091434 0.00083814 3.5035e+05 2024-05-08 11:39:04,333 INFO [main.py:798]
{rank 0/64} MD step = 215600 step time: 00:00:00.134344 Performance: 59.596 ns/day 0.403 hours/ns 3.449 steps/s 2024-05-08 11:39:15,148 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 149.18 -2187.8 16350 -18538 -18538 -0.00028573 -0.00038097 0.00051431 3.5051e+05 2024-05-08 11:39:31,259 INFO [main.py:798]
{rank 0/64} MD step = 215700 step time: 00:00:00.157405 Performance: 59.598 ns/day 0.403 hours/ns 3.449 steps/s 2024-05-08 11:39:36,824 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 149.94 -1973.5 16434 -18407 -18407 -0.00057146 -0.0006667 0.00047622 3.5068e+05 2024-05-08 11:39:52,574 INFO [main.py:798]
{rank 0/64} MD step = 215800 step time: 00:00:00.160008 Performance: 59.606 ns/day 0.403 hours/ns 3.449 steps/s 2024-05-08 11:39:56,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215800 43160 151.63 -1621.5 16618 -18240 -18240 -0.00057146 -0.00081909 0.00034288 3.5088e+05 2024-05-08 11:40:13,626 INFO [main.py:798]
{rank 0/64} MD step = 215900 step time: 00:00:00.164750 Performance: 59.613 ns/day 0.403 hours/ns 3.450 steps/s 2024-05-08 11:40:18,343 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 149.72 -1752.9 16409 -18162 -18162 -0.00091434 -0.00060956 0.00099053 3.5103e+05 2024-05-08 11:40:34,453 INFO [main.py:798]
{rank 0/64} MD step = 216000 step time: 00:00:00.164685 Performance: 59.621 ns/day 0.403 hours/ns 3.450 steps/s 2024-05-08 11:40:41,263 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 148.78 -2122.2 16307 -18429 -18429 -0.000781 -0.00049527 0.00040002 3.5113e+05 2024-05-08 11:40:56,977 INFO [main.py:798]
{rank 0/64} MD step = 216100 step time: 00:00:00.164385 Performance: 59.627 ns/day 0.403 hours/ns 3.451 steps/s 2024-05-08 11:41:02,405 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 151.58 -1697.3 16614 -18311 -18311 -0.00099053 -0.00093339 0.00072385 3.5132e+05 2024-05-08 11:41:17,865 INFO [main.py:798]
{rank 0/64} MD step = 216200 step time: 00:00:00.158659 Performance: 59.635 ns/day 0.402 hours/ns 3.451 steps/s 2024-05-08 11:41:29,688 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 151.13 -1635.7 16564 -18199 -18199 -0.0004286 -0.00060956 0.00060956 3.5145e+05 2024-05-08 11:41:45,972 INFO [main.py:798]
{rank 0/64} MD step = 216300 step time: 00:00:00.160333 Performance: 59.636 ns/day 0.402 hours/ns 3.451 steps/s 2024-05-08 11:41:51,769 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 150.5 -1730.2 16495 -18225 -18225 -0.00053336 -0.00071433 0.00038097 3.5167e+05 2024-05-08 11:42:07,289 INFO [main.py:798]
{rank 0/64} MD step = 216400 step time: 00:00:00.169920 Performance: 59.643 ns/day 0.402 hours/ns 3.452 steps/s 2024-05-08 11:42:13,903 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 148.99 -1926.9 16330 -18256 -18256 -0.00049527 -0.00064766 0.00045717 3.5178e+05 2024-05-08 11:42:29,374 INFO [main.py:798]
{rank 0/64} MD step = 216500 step time: 00:00:00.158592 Performance: 59.649 ns/day 0.402 hours/ns 3.452 steps/s 2024-05-08 11:42:34,992 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 148.73 -2037.9 16301 -18339 -18339 -0.00030478 -0.00053336 0.00080005 3.5194e+05 2024-05-08 11:42:50,622 INFO [main.py:798]
{rank 0/64} MD step = 216600 step time: 00:00:00.160127 Performance: 59.657 ns/day 0.402 hours/ns 3.452 steps/s 2024-05-08 11:42:58,028 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 150.6 -2117.9 16506 -18624 -18624 -0.00091434 -0.00057146 0.00041907 3.5211e+05 2024-05-08 11:43:13,330 INFO [main.py:798]
{rank 0/64} MD step = 216700 step time: 00:00:00.159209 Performance: 59.663 ns/day 0.402 hours/ns 3.453 steps/s 2024-05-08 11:43:19,398 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 148.18 -2301.7 16240 -18542 -18542 -0.00057146 -0.00087624 0.00065718 3.5228e+05 2024-05-08 11:43:34,797 INFO [main.py:798]
{rank 0/64} MD step = 216800 step time: 00:00:00.143602 Performance: 59.670 ns/day 0.402 hours/ns 3.453 steps/s 2024-05-08 11:43:41,004 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 147.84 -2128.4 16204 -18332 -18332 -0.00040002 -0.00079528 0.00091434 3.5246e+05 2024-05-08 11:43:57,524 INFO [main.py:798]
{rank 0/64} MD step = 216900 step time: 00:00:00.143876 Performance: 59.676 ns/day 0.402 hours/ns 3.453 steps/s 2024-05-08 11:44:02,132 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 150.94 -1902.6 16544 -18446 -18446 -0.00068575 -0.00083814 0.00091434 3.5261e+05 2024-05-08 11:44:18,227 INFO [main.py:798]
{rank 0/64} MD step = 217000 step time: 00:00:00.149077 Performance: 59.684 ns/day 0.402 hours/ns 3.454 steps/s 2024-05-08 11:44:23,770 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 149.33 -2111.3 16367 -18478 -18478 -0.00068575 -0.00053336 0.00080005 3.5277e+05 2024-05-08 11:44:40,039 INFO [main.py:798]
{rank 0/64} MD step = 217100 step time: 00:00:00.149643 Performance: 59.690 ns/day 0.402 hours/ns 3.454 steps/s 2024-05-08 11:44:47,433 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 148.99 -2208 16329 -18537 -18537 -0.00080005 -0.00045717 0.00030478 3.5292e+05 2024-05-08 11:45:03,408 INFO [main.py:798]
{rank 0/64} MD step = 217200 step time: 00:00:00.142041 Performance: 59.696 ns/day 0.402 hours/ns 3.455 steps/s 2024-05-08 11:45:18,229 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 151.83 -1617.7 16641 -18259 -18259 -0.00095243 -0.00051431 0.00045717 3.5314e+05 2024-05-08 11:45:34,100 INFO [main.py:798]
{rank 0/64} MD step = 217300 step time: 00:00:00.156726 Performance: 59.694 ns/day 0.402 hours/ns 3.455 steps/s 2024-05-08 11:45:40,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217300 43460 152.43 -1645.3 16706 -18352 -18352 -0.00083814 -0.00041907 0.00060956 3.5327e+05 2024-05-08 11:45:58,280 INFO [main.py:798]
{rank 0/64} MD step = 217400 step time: 00:00:00.157038 Performance: 59.699 ns/day 0.402 hours/ns 3.455 steps/s 2024-05-08 11:46:02,931 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 151.22 -1537.2 16574 -18111 -18111 -0.00038097 -0.00040002 0.00049527 3.5343e+05 2024-05-08 11:46:20,008 INFO [main.py:798]
{rank 0/64} MD step = 217500 step time: 00:00:00.148820 Performance: 59.705 ns/day 0.402 hours/ns 3.455 steps/s 2024-05-08 11:46:25,148 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 152.53 -1538.1 16717 -18255 -18255 -0.00068575 -0.00043812 0.00076195 3.5359e+05 2024-05-08 11:46:41,070 INFO [main.py:798]
{rank 0/64} MD step = 217600 step time: 00:00:00.150795 Performance: 59.713 ns/day 0.402 hours/ns 3.456 steps/s 2024-05-08 11:46:46,519 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 150.07 -1915.6 16448 -18364 -18364 -0.0007048 -0.00087624 0.00053336 3.5375e+05 2024-05-08 11:47:02,529 INFO [main.py:798]
{rank 0/64} MD step = 217700 step time: 00:00:00.164479 Performance: 59.720 ns/day 0.402 hours/ns 3.456 steps/s 2024-05-08 11:47:09,650 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 151.09 -1803.2 16560 -18363 -18363 -0.00045717 -0.00022858 0.00062861 3.5394e+05 2024-05-08 11:47:25,539 INFO [main.py:798]
{rank 0/64} MD step = 217800 step time: 00:00:00.159123 Performance: 59.726 ns/day 0.402 hours/ns 3.456 steps/s 2024-05-08 11:47:31,485 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 150.42 -1894.7 16486 -18381 -18381 -0.00057146 -0.00060956 0.00060956 3.5406e+05 2024-05-08 11:47:50,787 INFO [main.py:798]
{rank 0/64} MD step = 217900 step time: 00:00:00.143154 Performance: 59.729 ns/day 0.402 hours/ns 3.457 steps/s 2024-05-08 11:47:56,161 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 152.1 -1843.8 16671 -18515 -18515 -0.00060956 -0.00043812 0.00068575 3.5424e+05 2024-05-08 11:48:12,337 INFO [main.py:798]
{rank 0/64} MD step = 218000 step time: 00:00:00.158257 Performance: 59.736 ns/day 0.402 hours/ns 3.457 steps/s 2024-05-08 11:48:17,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218000 43600 150.5 -1893.3 16495 -18388 -18388 -0.000781 -0.00081909 0.00026668 3.5445e+05 2024-05-08 11:48:34,437 INFO [main.py:798]
{rank 0/64} MD step = 218100 step time: 00:00:00.152250 Performance: 59.743 ns/day 0.402 hours/ns 3.457 steps/s 2024-05-08 11:48:42,598 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 147.56 -2175.6 16173 -18348 -18348 -0.00088576 -0.00076195 0.00060956 3.5463e+05 2024-05-08 11:48:59,096 INFO [main.py:798]
{rank 0/64} MD step = 218200 step time: 00:00:00.170566 Performance: 59.747 ns/day 0.402 hours/ns 3.458 steps/s 2024-05-08 11:49:04,804 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 150.37 -1792.6 16480 -18273 -18273 -0.00068575 -0.00053336 0.0007048 3.5475e+05 2024-05-08 11:49:20,668 INFO [main.py:798]
{rank 0/64} MD step = 218300 step time: 00:00:00.154668 Performance: 59.754 ns/day 0.402 hours/ns 3.458 steps/s 2024-05-08 11:49:24,804 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 150.29 -2047 16472 -18519 -18519 -0.00047622 -0.00068575 0.00058099 3.5491e+05 2024-05-08 11:49:41,779 INFO [main.py:798]
{rank 0/64} MD step = 218400 step time: 00:00:00.151919 Performance: 59.761 ns/day 0.402 hours/ns 3.458 steps/s 2024-05-08 11:49:47,418 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 149.28 -2192.4 16361 -18553 -18553 -0.00099053 -0.00053336 0.00084767 3.5505e+05 2024-05-08 11:50:03,175 INFO [main.py:798]
{rank 0/64} MD step = 218500 step time: 00:00:00.161390 Performance: 59.768 ns/day 0.402 hours/ns 3.459 steps/s 2024-05-08 11:50:08,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218500 43700 149.88 -1946.2 16427 -18374 -18374 -0.00083814 -0.00064766 0.00030478 3.5525e+05 2024-05-08 11:50:24,131 INFO [main.py:798]
{rank 0/64} MD step = 218600 step time: 00:00:00.160021 Performance: 59.776 ns/day 0.402 hours/ns 3.459 steps/s 2024-05-08 11:50:31,492 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 151.1 -1779.5 16561 -18340 -18340 -0.00053336 -0.00064766 0.00076195 3.554e+05 2024-05-08 11:50:47,115 INFO [main.py:798]
{rank 0/64} MD step = 218700 step time: 00:00:00.154373 Performance: 59.781 ns/day 0.401 hours/ns 3.460 steps/s 2024-05-08 11:50:53,959 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 150.59 -1897.1 16505 -18402 -18402 -0.00089529 -0.0006667 0.00041907 3.5558e+05 2024-05-08 11:51:09,392 INFO [main.py:798]
{rank 0/64} MD step = 218800 step time: 00:00:00.166202 Performance: 59.787 ns/day 0.401 hours/ns 3.460 steps/s 2024-05-08 11:51:17,861 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 151.99 -1621.3 16658 -18280 -18280 -0.00060956 -0.00073814 0.00053336 3.5575e+05 2024-05-08 11:51:33,302 INFO [main.py:798]
{rank 0/64} MD step = 218900 step time: 00:00:00.157731 Performance: 59.792 ns/day 0.401 hours/ns 3.460 steps/s 2024-05-08 11:51:44,053 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 150.05 -1973.1 16446 -18419 -18419 -0.00054289 -0.00080005 0.00087624 3.5596e+05 2024-05-08 11:51:59,812 INFO [main.py:798]
{rank 0/64} MD step = 219000 step time: 00:00:00.165605 Performance: 59.794 ns/day 0.401 hours/ns 3.460 steps/s 2024-05-08 11:52:07,603 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 148.8 -2151.6 16309 -18461 -18461 -0.00051431 -0.00067623 0.0006667 3.5613e+05 2024-05-08 11:52:23,375 INFO [main.py:798]
{rank 0/64} MD step = 219100 step time: 00:00:00.157692 Performance: 59.799 ns/day 0.401 hours/ns 3.461 steps/s 2024-05-08 11:52:39,298 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 152.28 -1810.8 16690 -18501 -18501 -0.0006667 -0.00041907 -0.00017144 3.5631e+05 2024-05-08 11:52:54,775 INFO [main.py:798]
{rank 0/64} MD step = 219200 step time: 00:00:00.154312 Performance: 59.797 ns/day 0.401 hours/ns 3.460 steps/s 2024-05-08 11:53:03,504 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 150.87 -1932.8 16535 -18468 -18468 -0.000781 -0.00020001 0.00043812 3.5645e+05 2024-05-08 11:53:18,722 INFO [main.py:798]
{rank 0/64} MD step = 219300 step time: 00:00:00.151997 Performance: 59.802 ns/day 0.401 hours/ns 3.461 steps/s 2024-05-08 11:53:25,378 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 150.17 -1599.7 16459 -18059 -18059 -0.00051431 -0.00051431 0.00048574 3.5663e+05 2024-05-08 11:53:41,425 INFO [main.py:798]
{rank 0/64} MD step = 219400 step time: 00:00:00.155343 Performance: 59.808 ns/day 0.401 hours/ns 3.461 steps/s 2024-05-08 11:53:47,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219400 43880 148.95 -2013.6 16325 -18338 -18338 -0.00093339 -0.00072385 0.00052384 3.5676e+05 2024-05-08 11:54:02,935 INFO [main.py:798]
{rank 0/64} MD step = 219500 step time: 00:00:00.144438 Performance: 59.815 ns/day 0.401 hours/ns 3.461 steps/s 2024-05-08 11:54:11,041 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 152.18 -1760.1 16679 -18439 -18439 -0.00059051 -0.00032383 0.00053336 3.5692e+05 2024-05-08 11:54:26,969 INFO [main.py:798]
{rank 0/64} MD step = 219600 step time: 00:00:00.152090 Performance: 59.819 ns/day 0.401 hours/ns 3.462 steps/s 2024-05-08 11:54:32,699 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 150.06 -2051.5 16447 -18498 -18498 -0.00086672 -0.00064766 0.00072385 3.5706e+05 2024-05-08 11:54:50,197 INFO [main.py:798]
{rank 0/64} MD step = 219700 step time: 00:00:00.158258 Performance: 59.824 ns/day 0.401 hours/ns 3.462 steps/s 2024-05-08 11:54:56,456 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 149.2 -2055.4 16352 -18408 -18408 -0.00041907 -0.00049527 0.00087624 3.5726e+05 2024-05-08 11:55:13,585 INFO [main.py:798]
{rank 0/64} MD step = 219800 step time: 00:00:00.156363 Performance: 59.830 ns/day 0.401 hours/ns 3.462 steps/s 2024-05-08 11:55:19,491 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 153.4 -1368.5 16812 -18181 -18181 -0.00083814 -0.00049527 0.00080005 3.5745e+05 2024-05-08 11:55:35,699 INFO [main.py:798]
{rank 0/64} MD step = 219900 step time: 00:00:00.149502 Performance: 59.836 ns/day 0.401 hours/ns 3.463 steps/s 2024-05-08 11:55:40,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219900 43980 149.79 -1927.6 16417 -18345 -18345 -0.0010286 -0.00072385 0.00083814 3.5757e+05 2024-05-08 11:55:58,683 INFO [main.py:798]
{rank 0/64} MD step = 220000 step time: 00:00:00.148717 Performance: 59.842 ns/day 0.401 hours/ns 3.463 steps/s 2024-05-08 11:56:04,295 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 149.82 -2025.6 16420 -18446 -18446 -0.00038574 -0.00049527 0.00032383 3.5771e+05 2024-05-08 11:56:19,887 INFO [main.py:798]
{rank 0/64} MD step = 220100 step time: 00:00:00.164648 Performance: 59.849 ns/day 0.401 hours/ns 3.463 steps/s 2024-05-08 11:56:26,364 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 150.73 -1809.3 16520 -18329 -18329 -0.00053336 -0.00068575 0.00080005 3.5785e+05 2024-05-08 11:56:41,938 INFO [main.py:798]
{rank 0/64} MD step = 220200 step time: 00:00:00.151454 Performance: 59.855 ns/day 0.401 hours/ns 3.464 steps/s 2024-05-08 11:56:48,051 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 150.62 -1570.4 16508 -18079 -18079 -0.00065718 -0.00049527 0.00060956 3.5806e+05 2024-05-08 11:57:03,946 INFO [main.py:798]
{rank 0/64} MD step = 220300 step time: 00:00:00.157296 Performance: 59.862 ns/day 0.401 hours/ns 3.464 steps/s 2024-05-08 11:57:09,148 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 151.14 -1933.4 16565 -18498 -18498 -0.00091434 -0.00086672 0.00038097 3.5816e+05 2024-05-08 11:57:25,076 INFO [main.py:798]
{rank 0/64} MD step = 220400 step time: 00:00:00.151211 Performance: 59.869 ns/day 0.401 hours/ns 3.465 steps/s 2024-05-08 11:57:31,018 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 152.23 -1627.2 16685 -18312 -18312 -0.00045717 -0.00089529 0.00026668 3.5834e+05 2024-05-08 11:57:47,409 INFO [main.py:798]
{rank 0/64} MD step = 220500 step time: 00:00:00.160877 Performance: 59.875 ns/day 0.401 hours/ns 3.465 steps/s 2024-05-08 11:57:52,333 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 149.28 -1862.6 16361 -18224 -18224 -0.00064766 -0.00046669 0.00060956 3.5853e+05 2024-05-08 11:58:08,437 INFO [main.py:798]
{rank 0/64} MD step = 220600 step time: 00:00:00.161275 Performance: 59.882 ns/day 0.401 hours/ns 3.465 steps/s 2024-05-08 11:58:12,532 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 152.17 -1625.8 16677 -18303 -18303 -0.00038097 -0.00034288 0.00080005 3.5869e+05 2024-05-08 11:58:29,767 INFO [main.py:798]
{rank 0/64} MD step = 220700 step time: 00:00:00.155226 Performance: 59.890 ns/day 0.401 hours/ns 3.466 steps/s 2024-05-08 11:58:35,598 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 150.57 -1755.6 16502 -18258 -18258 -0.00087624 -0.00076195 0.00091434 3.5885e+05 2024-05-08 11:58:51,455 INFO [main.py:798]
{rank 0/64} MD step = 220800 step time: 00:00:00.153365 Performance: 59.896 ns/day 0.401 hours/ns 3.466 steps/s 2024-05-08 11:58:57,161 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 151.87 -1614.1 16646 -18260 -18260 -0.00034288 -0.00022858 0.00047622 3.5898e+05 2024-05-08 11:59:12,993 INFO [main.py:798]
{rank 0/64} MD step = 220900 step time: 00:00:00.150924 Performance: 59.903 ns/day 0.401 hours/ns 3.467 steps/s 2024-05-08 11:59:19,989 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 149.93 -2061.4 16432 -18494 -18494 -0.0010858 -0.00061908 0.0007048 3.5912e+05 2024-05-08 11:59:35,291 INFO [main.py:798]
{rank 0/64} MD step = 221000 step time: 00:00:00.161245 Performance: 59.909 ns/day 0.401 hours/ns 3.467 steps/s 2024-05-08 11:59:41,430 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 150.66 -1824.8 16512 -18337 -18337 -0.00057146 -0.00083814 0.00076195 3.5931e+05 2024-05-08 11:59:57,403 INFO [main.py:798]
{rank 0/64} MD step = 221100 step time: 00:00:00.155997 Performance: 59.916 ns/day 0.401 hours/ns 3.467 steps/s 2024-05-08 12:00:03,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221100 44220 150.91 -1619.9 16540 -18160 -18160 -0.00068575 -0.00083814 0.00040002 3.5945e+05 2024-05-08 12:00:18,974 INFO [main.py:798]
{rank 0/64} MD step = 221200 step time: 00:00:00.164742 Performance: 59.922 ns/day 0.401 hours/ns 3.468 steps/s 2024-05-08 12:00:26,522 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 149.28 -2064.6 16361 -18426 -18426 -0.0006667 -0.00026668 0.00038097 3.5957e+05 2024-05-08 12:00:41,773 INFO [main.py:798]
{rank 0/64} MD step = 221300 step time: 00:00:00.163867 Performance: 59.928 ns/day 0.400 hours/ns 3.468 steps/s 2024-05-08 12:00:46,868 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 151.75 -1676.3 16632 -18308 -18308 -0.00087386 -0.00041907 0.0007048 3.5978e+05 2024-05-08 12:01:05,279 INFO [main.py:798]
{rank 0/64} MD step = 221400 step time: 00:00:00.151314 Performance: 59.933 ns/day 0.400 hours/ns 3.468 steps/s 2024-05-08 12:01:11,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221400 44280 150.65 -1894 16511 -18405 -18405 -0.00057146 -0.00038097 0.00080005 3.5995e+05 2024-05-08 12:01:27,309 INFO [main.py:798]
{rank 0/64} MD step = 221500 step time: 00:00:00.153254 Performance: 59.940 ns/day 0.400 hours/ns 3.469 steps/s 2024-05-08 12:01:33,847 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 149.67 -2187 16404 -18591 -18591 -0.00068575 -0.0010286 0.00036193 3.6007e+05 2024-05-08 12:01:49,814 INFO [main.py:798]
{rank 0/64} MD step = 221600 step time: 00:00:00.161569 Performance: 59.945 ns/day 0.400 hours/ns 3.469 steps/s 2024-05-08 12:01:53,587 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 149.29 -2119 16362 -18481 -18481 -0.00047622 -0.00099053 0.00037145 3.6024e+05 2024-05-08 12:02:10,697 INFO [main.py:798]
{rank 0/64} MD step = 221700 step time: 00:00:00.162726 Performance: 59.953 ns/day 0.400 hours/ns 3.469 steps/s 2024-05-08 12:02:16,723 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 149.85 -2190.1 16424 -18614 -18614 -0.00091434 -0.00066194 0.00060956 3.6042e+05 2024-05-08 12:02:32,047 INFO [main.py:798]
{rank 0/64} MD step = 221800 step time: 00:00:00.153948 Performance: 59.960 ns/day 0.400 hours/ns 3.470 steps/s 2024-05-08 12:02:38,912 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 149.7 -2115.2 16408 -18523 -18523 -0.00083814 -0.00038097 0.00038097 3.6059e+05 2024-05-08 12:02:54,792 INFO [main.py:798]
{rank 0/64} MD step = 221900 step time: 00:00:00.167277 Performance: 59.966 ns/day 0.400 hours/ns 3.470 steps/s 2024-05-08 12:03:04,611 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 148.67 -1911.8 16295 -18206 -18206 -0.00038097 -0.00067623 0.00053336 3.6079e+05 2024-05-08 12:03:19,780 INFO [main.py:798]
{rank 0/64} MD step = 222000 step time: 00:00:00.155554 Performance: 59.969 ns/day 0.400 hours/ns 3.470 steps/s 2024-05-08 12:03:25,596 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 150.73 -1818.9 16520 -18339 -18339 -0.00059051 -0.00047622 0.00068575 3.6092e+05 2024-05-08 12:03:41,056 INFO [main.py:798]
{rank 0/64} MD step = 222100 step time: 00:00:00.155049 Performance: 59.976 ns/day 0.400 hours/ns 3.471 steps/s 2024-05-08 12:03:48,104 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 148.74 -2142.4 16302 -18444 -18444 -0.00045717 -0.000781 0.00045717 3.611e+05 2024-05-08 12:04:03,552 INFO [main.py:798]
{rank 0/64} MD step = 222200 step time: 00:00:00.160745 Performance: 59.982 ns/day 0.400 hours/ns 3.471 steps/s 2024-05-08 12:04:12,766 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 149.51 -1990.8 16386 -18377 -18377 -0.00041907 -0.00072385 0.00010477 3.6128e+05 2024-05-08 12:04:28,468 INFO [main.py:798]
{rank 0/64} MD step = 222300 step time: 00:00:00.168383 Performance: 59.986 ns/day 0.400 hours/ns 3.471 steps/s 2024-05-08 12:04:34,265 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 150.17 -1934.1 16459 -18393 -18393 -0.00086672 -0.00041907 0.00022858 3.6144e+05 2024-05-08 12:04:52,162 INFO [main.py:798]
{rank 0/64} MD step = 222400 step time: 00:00:00.165366 Performance: 59.991 ns/day 0.400 hours/ns 3.472 steps/s 2024-05-08 12:04:58,436 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 151.45 -1764.3 16599 -18363 -18363 -0.00038097 -0.00041907 0.00072385 3.6161e+05 2024-05-08 12:05:14,381 INFO [main.py:798]
{rank 0/64} MD step = 222500 step time: 00:00:00.160283 Performance: 59.997 ns/day 0.400 hours/ns 3.472 steps/s 2024-05-08 12:05:18,697 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 152.43 -1635.2 16707 -18342 -18342 -0.00068575 -0.00064766 0.00045717 3.6174e+05 2024-05-08 12:05:35,887 INFO [main.py:798]
{rank 0/64} MD step = 222600 step time: 00:00:00.159611 Performance: 60.004 ns/day 0.400 hours/ns 3.472 steps/s 2024-05-08 12:05:43,749 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 149.12 -1959.7 16344 -18304 -18304 -0.00080005 -0.0006667 0.00040002 3.6191e+05 2024-05-08 12:06:00,840 INFO [main.py:798]
{rank 0/64} MD step = 222700 step time: 00:00:00.171520 Performance: 60.007 ns/day 0.400 hours/ns 3.473 steps/s 2024-05-08 12:06:05,290 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 149.92 -1857.6 16431 -18289 -18289 -0.00049527 -0.00080005 0.00081909 3.6205e+05 2024-05-08 12:06:21,401 INFO [main.py:798]
{rank 0/64} MD step = 222800 step time: 00:00:00.164227 Performance: 60.015 ns/day 0.400 hours/ns 3.473 steps/s 2024-05-08 12:06:26,105 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 149.94 -1938.3 16433 -18372 -18372 -0.00053336 -0.00049527 0.00053336 3.6217e+05 2024-05-08 12:06:42,474 INFO [main.py:798]
{rank 0/64} MD step = 222900 step time: 00:00:00.143366 Performance: 60.022 ns/day 0.400 hours/ns 3.474 steps/s 2024-05-08 12:06:48,444 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 150.14 -1856 16455 -18311 -18311 -0.00076195 -0.0003143 0.00068575 3.6236e+05 2024-05-08 12:07:04,197 INFO [main.py:798]
{rank 0/64} MD step = 223000 step time: 00:00:00.162490 Performance: 60.029 ns/day 0.400 hours/ns 3.474 steps/s 2024-05-08 12:07:09,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223000 44600 149.62 -1921.4 16398 -18319 -18319 -0.00053336 -0.00041907 0.00060956 3.6254e+05 2024-05-08 12:07:25,126 INFO [main.py:798]
{rank 0/64} MD step = 223100 step time: 00:00:00.159107 Performance: 60.036 ns/day 0.400 hours/ns 3.474 steps/s 2024-05-08 12:07:30,641 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 149.45 -1829.9 16380 -18210 -18210 -0.00064766 -0.00060956 0.00060003 3.6267e+05 2024-05-08 12:07:46,603 INFO [main.py:798]
{rank 0/64} MD step = 223200 step time: 00:00:00.158713 Performance: 60.043 ns/day 0.400 hours/ns 3.475 steps/s 2024-05-08 12:07:51,844 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 151.85 -1541.6 16643 -18184 -18184 -0.00051431 -0.00072385 0.0007429 3.6282e+05 2024-05-08 12:08:07,734 INFO [main.py:798]
{rank 0/64} MD step = 223300 step time: 00:00:00.158270 Performance: 60.050 ns/day 0.400 hours/ns 3.475 steps/s 2024-05-08 12:08:11,563 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 150.17 -1937.1 16459 -18396 -18396 -0.00034288 -0.00038097 0.00047622 3.6302e+05 2024-05-08 12:08:28,493 INFO [main.py:798]
{rank 0/64} MD step = 223400 step time: 00:00:00.162297 Performance: 60.058 ns/day 0.400 hours/ns 3.476 steps/s 2024-05-08 12:08:36,498 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 149.51 -1989.7 16386 -18376 -18376 -0.0007429 -0.00072385 0.00040955 3.6315e+05 2024-05-08 12:08:52,088 INFO [main.py:798]
{rank 0/64} MD step = 223500 step time: 00:00:00.167798 Performance: 60.062 ns/day 0.400 hours/ns 3.476 steps/s 2024-05-08 12:08:56,515 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 149.02 -1903.1 16333 -18236 -18236 -0.00068575 -0.0006667 0.00081909 3.6335e+05 2024-05-08 12:09:13,442 INFO [main.py:798]
{rank 0/64} MD step = 223600 step time: 00:00:00.159891 Performance: 60.069 ns/day 0.400 hours/ns 3.476 steps/s 2024-05-08 12:09:21,027 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 148.95 -2114.5 16325 -18440 -18440 -0.0006667 -0.00055241 0.00048574 3.6351e+05 2024-05-08 12:09:36,237 INFO [main.py:798]
{rank 0/64} MD step = 223700 step time: 00:00:00.187874 Performance: 60.075 ns/day 0.400 hours/ns 3.477 steps/s 2024-05-08 12:09:43,370 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 150.35 -1707.8 16479 -18186 -18186 -0.00038097 -0.00030478 0.00087624 3.6369e+05 2024-05-08 12:09:58,454 INFO [main.py:798]
{rank 0/64} MD step = 223800 step time: 00:00:00.159830 Performance: 60.081 ns/day 0.399 hours/ns 3.477 steps/s 2024-05-08 12:10:03,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223800 44760 148.78 -2233 16307 -18540 -18540 -0.0006667 -0.00072385 0.00044764 3.6385e+05 2024-05-08 12:10:20,393 INFO [main.py:798]
{rank 0/64} MD step = 223900 step time: 00:00:00.153732 Performance: 60.087 ns/day 0.399 hours/ns 3.477 steps/s 2024-05-08 12:10:26,857 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 152.88 -1631.4 16756 -18387 -18387 -0.00091434 -0.00091434 0.00064766 3.6405e+05 2024-05-08 12:10:44,281 INFO [main.py:798]
{rank 0/64} MD step = 224000 step time: 00:00:00.161807 Performance: 60.092 ns/day 0.399 hours/ns 3.478 steps/s 2024-05-08 12:10:49,673 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 151.34 -1806.1 16587 -18393 -18393 -0.000781 -0.00068575 0.00091434 3.6418e+05 2024-05-08 12:11:05,479 INFO [main.py:798]
{rank 0/64} MD step = 224100 step time: 00:00:00.153496 Performance: 60.099 ns/day 0.399 hours/ns 3.478 steps/s 2024-05-08 12:11:10,740 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 150.59 -1916.8 16505 -18422 -18422 -0.00080005 -0.00028573 0.00055241 3.6434e+05 2024-05-08 12:11:26,594 INFO [main.py:798]
{rank 0/64} MD step = 224200 step time: 00:00:00.155137 Performance: 60.106 ns/day 0.399 hours/ns 3.478 steps/s 2024-05-08 12:11:31,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224200 44840 150.79 -1677.5 16527 -18204 -18204 -0.00076195 -0.00062861 0.000781 3.6454e+05 2024-05-08 12:11:47,629 INFO [main.py:798]
{rank 0/64} MD step = 224300 step time: 00:00:00.154210 Performance: 60.113 ns/day 0.399 hours/ns 3.479 steps/s 2024-05-08 12:11:53,129 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 151.05 -1958.7 16555 -18514 -18514 -0.00028573 -0.0007048 0.000781 3.647e+05 2024-05-08 12:12:09,014 INFO [main.py:798]
{rank 0/64} MD step = 224400 step time: 00:00:00.149196 Performance: 60.120 ns/day 0.399 hours/ns 3.479 steps/s 2024-05-08 12:12:14,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224400 44880 150.5 -1683 16495 -18178 -18178 -0.00053336 -0.00047622 0.00083814 3.6486e+05 2024-05-08 12:12:30,538 INFO [main.py:798]
{rank 0/64} MD step = 224500 step time: 00:00:00.148735 Performance: 60.127 ns/day 0.399 hours/ns 3.480 steps/s 2024-05-08 12:12:36,109 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 152.05 -1814.8 16664 -18479 -18479 -0.00057146 -0.000781 0.00083814 3.6498e+05 2024-05-08 12:12:51,752 INFO [main.py:798]
{rank 0/64} MD step = 224600 step time: 00:00:00.141792 Performance: 60.134 ns/day 0.399 hours/ns 3.480 steps/s 2024-05-08 12:12:57,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224600 44920 150.76 -1868.7 16523 -18392 -18392 -0.00032383 -0.00095243 0.00069528 3.6521e+05 2024-05-08 12:13:13,353 INFO [main.py:798]
{rank 0/64} MD step = 224700 step time: 00:00:00.147692 Performance: 60.141 ns/day 0.399 hours/ns 3.480 steps/s 2024-05-08 12:13:17,821 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 146.68 -2517.3 16076 -18593 -18593 -0.00060956 -0.00045717 0.00053336 3.6534e+05 2024-05-08 12:13:33,621 INFO [main.py:798]
{rank 0/64} MD step = 224800 step time: 00:00:00.158914 Performance: 60.148 ns/day 0.399 hours/ns 3.481 steps/s 2024-05-08 12:13:39,020 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 150.22 -2053.1 16464 -18517 -18517 -0.00080005 -0.00087624 0.00062861 3.655e+05 2024-05-08 12:13:54,448 INFO [main.py:798]
{rank 0/64} MD step = 224900 step time: 00:00:00.140215 Performance: 60.156 ns/day 0.399 hours/ns 3.481 steps/s 2024-05-08 12:14:00,358 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 149.83 -2118.7 16421 -18540 -18540 -0.00038097 -0.00089529 0.00053336 3.6563e+05 2024-05-08 12:14:16,507 INFO [main.py:798]
{rank 0/64} MD step = 225000 step time: 00:00:00.146923 Performance: 60.162 ns/day 0.399 hours/ns 3.482 steps/s 2024-05-08 12:14:21,810 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 148.18 -2244.2 16241 -18485 -18485 -0.00059051 -0.000781 0.00082862 3.6582e+05 2024-05-08 12:14:37,913 INFO [main.py:798]
{rank 0/64} MD step = 225100 step time: 00:00:00.155882 Performance: 60.169 ns/day 0.399 hours/ns 3.482 steps/s 2024-05-08 12:14:43,626 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 151.02 -1885.9 16552 -18438 -18438 -0.00083814 -0.00053336 0.00058099 3.6596e+05 2024-05-08 12:14:59,867 INFO [main.py:798]
{rank 0/64} MD step = 225200 step time: 00:00:00.166985 Performance: 60.175 ns/day 0.399 hours/ns 3.482 steps/s 2024-05-08 12:15:05,743 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 149.75 -2243.3 16412 -18656 -18656 -0.00041907 -0.00064766 0.00076195 3.6611e+05 2024-05-08 12:15:22,229 INFO [main.py:798]
{rank 0/64} MD step = 225300 step time: 00:00:00.163817 Performance: 60.181 ns/day 0.399 hours/ns 3.483 steps/s 2024-05-08 12:15:27,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225300 45060 152.26 -1818.2 16688 -18506 -18506 -0.00091434 -0.00038097 0.00037145 3.6623e+05 2024-05-08 12:15:43,471 INFO [main.py:798]
{rank 0/64} MD step = 225400 step time: 00:00:00.165653 Performance: 60.188 ns/day 0.399 hours/ns 3.483 steps/s 2024-05-08 12:15:56,876 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 149.75 -2055.7 16412 -18468 -18468 -0.00072385 -0.00076195 0.00064766 3.6637e+05 2024-05-08 12:16:13,853 INFO [main.py:798]
{rank 0/64} MD step = 225500 step time: 00:00:00.163077 Performance: 60.186 ns/day 0.399 hours/ns 3.483 steps/s 2024-05-08 12:16:20,037 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 150.31 -2073.6 16475 -18548 -18548 -0.00081909 -0.00051431 0.00059051 3.6654e+05 2024-05-08 12:16:35,937 INFO [main.py:798]
{rank 0/64} MD step = 225600 step time: 00:00:00.156508 Performance: 60.193 ns/day 0.399 hours/ns 3.483 steps/s 2024-05-08 12:16:45,030 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 149.61 -1968.5 16397 -18365 -18365 -0.00041907 -0.00081909 0.00039526 3.6668e+05 2024-05-08 12:17:01,119 INFO [main.py:798]
{rank 0/64} MD step = 225700 step time: 00:00:00.154973 Performance: 60.196 ns/day 0.399 hours/ns 3.484 steps/s 2024-05-08 12:17:06,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225700 45140 150.63 -1970.4 16509 -18479 -18479 -0.00036193 -0.00087624 0.00072385 3.6684e+05 2024-05-08 12:17:21,888 INFO [main.py:798]
{rank 0/64} MD step = 225800 step time: 00:00:00.154193 Performance: 60.203 ns/day 0.399 hours/ns 3.484 steps/s 2024-05-08 12:17:26,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225800 45160 149.99 -1884.6 16439 -18324 -18324 -0.00040002 -0.00075242 0.00030478 3.6702e+05 2024-05-08 12:17:43,547 INFO [main.py:798]
{rank 0/64} MD step = 225900 step time: 00:00:00.150828 Performance: 60.210 ns/day 0.399 hours/ns 3.484 steps/s 2024-05-08 12:17:50,958 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 148.11 -2071.6 16233 -18305 -18305 -0.00059051 -0.00083814 0.00099053 3.6718e+05 2024-05-08 12:18:06,632 INFO [main.py:798]
{rank 0/64} MD step = 226000 step time: 00:00:00.148552 Performance: 60.215 ns/day 0.399 hours/ns 3.485 steps/s 2024-05-08 12:18:12,850 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 149.38 -2180.7 16372 -18553 -18553 -0.00046669 -0.00049527 0.00026668 3.6734e+05 2024-05-08 12:18:29,293 INFO [main.py:798]
{rank 0/64} MD step = 226100 step time: 00:00:00.158838 Performance: 60.221 ns/day 0.399 hours/ns 3.485 steps/s 2024-05-08 12:18:34,667 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 150.78 -1956.2 16526 -18482 -18482 -0.0007048 -0.00092386 0.00080005 3.6752e+05 2024-05-08 12:18:52,529 INFO [main.py:798]
{rank 0/64} MD step = 226200 step time: 00:00:00.160686 Performance: 60.226 ns/day 0.399 hours/ns 3.485 steps/s 2024-05-08 12:18:59,760 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 148.98 -2027.3 16329 -18356 -18356 -0.00055241 -0.00053336 0.00087624 3.6766e+05 2024-05-08 12:19:15,260 INFO [main.py:798]
{rank 0/64} MD step = 226300 step time: 00:00:00.157429 Performance: 60.231 ns/day 0.398 hours/ns 3.486 steps/s 2024-05-08 12:19:22,038 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 152.35 -1687.9 16697 -18385 -18385 -0.0007429 -0.00064766 0.00067623 3.6781e+05 2024-05-08 12:19:37,804 INFO [main.py:798]
{rank 0/64} MD step = 226400 step time: 00:00:00.150849 Performance: 60.237 ns/day 0.398 hours/ns 3.486 steps/s 2024-05-08 12:19:43,231 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 148.32 -2237.1 16256 -18493 -18493 -0.00057146 -0.00030478 0.00030478 3.6797e+05 2024-05-08 12:19:59,199 INFO [main.py:798]
{rank 0/64} MD step = 226500 step time: 00:00:00.154812 Performance: 60.244 ns/day 0.398 hours/ns 3.486 steps/s 2024-05-08 12:20:04,114 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 149.89 -2134.2 16428 -18562 -18562 -0.00062861 -0.00034288 0.00055241 3.6815e+05 2024-05-08 12:20:20,192 INFO [main.py:798]
{rank 0/64} MD step = 226600 step time: 00:00:00.162608 Performance: 60.251 ns/day 0.398 hours/ns 3.487 steps/s 2024-05-08 12:20:27,626 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 149.93 -2060.5 16432 -18493 -18493 -0.00068575 -0.00091434 0.00045717 3.6833e+05 2024-05-08 12:20:43,898 INFO [main.py:798]
{rank 0/64} MD step = 226700 step time: 00:00:00.160583 Performance: 60.255 ns/day 0.398 hours/ns 3.487 steps/s 2024-05-08 12:20:49,871 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 147.79 -2363.2 16198 -18561 -18561 -0.00038097 -0.00057146 0.00038097 3.6848e+05 2024-05-08 12:21:05,428 INFO [main.py:798]
{rank 0/64} MD step = 226800 step time: 00:00:00.159519 Performance: 60.262 ns/day 0.398 hours/ns 3.487 steps/s 2024-05-08 12:21:15,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226800 45360 147.62 -2457.9 16179 -18637 -18637 -0.00059051 -0.00040002 0.00028573 3.6868e+05 2024-05-08 12:21:31,534 INFO [main.py:798]
{rank 0/64} MD step = 226900 step time: 00:00:00.158406 Performance: 60.264 ns/day 0.398 hours/ns 3.488 steps/s 2024-05-08 12:21:37,882 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 150.67 -1935.3 16513 -18449 -18449 -0.0007048 -0.00047622 0.00047622 3.6889e+05 2024-05-08 12:21:53,295 INFO [main.py:798]
{rank 0/64} MD step = 227000 step time: 00:00:00.144757 Performance: 60.271 ns/day 0.398 hours/ns 3.488 steps/s 2024-05-08 12:21:58,414 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 148.08 -2069.4 16230 -18299 -18299 -0.00022858 -0.00091434 0.00049527 3.6904e+05 2024-05-08 12:22:14,768 INFO [main.py:798]
{rank 0/64} MD step = 227100 step time: 00:00:00.142940 Performance: 60.277 ns/day 0.398 hours/ns 3.488 steps/s 2024-05-08 12:22:21,101 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 150.29 -2117.9 16472 -18590 -18590 -0.00062861 -0.00059051 0.00047622 3.6922e+05 2024-05-08 12:22:37,194 INFO [main.py:798]
{rank 0/64} MD step = 227200 step time: 00:00:00.157625 Performance: 60.283 ns/day 0.398 hours/ns 3.489 steps/s 2024-05-08 12:22:47,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227200 45440 150.37 -1687 16481 -18168 -18168 -0.00060003 -0.00024287 0.00026668 3.6937e+05 2024-05-08 12:23:03,524 INFO [main.py:798]
{rank 0/64} MD step = 227300 step time: 00:00:00.166286 Performance: 60.285 ns/day 0.398 hours/ns 3.489 steps/s 2024-05-08 12:23:09,535 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 150.37 -1941.9 16481 -18423 -18423 -0.00057146 -0.00062861 0.00049527 3.6952e+05 2024-05-08 12:23:24,977 INFO [main.py:798]
{rank 0/64} MD step = 227400 step time: 00:00:00.157333 Performance: 60.292 ns/day 0.398 hours/ns 3.489 steps/s 2024-05-08 12:23:30,212 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 150.05 -1818.1 16446 -18264 -18264 -0.00057146 -0.00045717 0.00057146 3.6969e+05 2024-05-08 12:23:46,068 INFO [main.py:798]
{rank 0/64} MD step = 227500 step time: 00:00:00.145830 Performance: 60.299 ns/day 0.398 hours/ns 3.490 steps/s 2024-05-08 12:23:51,587 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 151.04 -1510.3 16554 -18065 -18065 -0.00083814 -0.00060956 0.00034288 3.6984e+05 2024-05-08 12:24:07,614 INFO [main.py:798]
{rank 0/64} MD step = 227600 step time: 00:00:00.150649 Performance: 60.306 ns/day 0.398 hours/ns 3.490 steps/s 2024-05-08 12:24:13,068 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 151.04 -1902.3 16554 -18457 -18457 -0.00068575 -0.00085719 0.00080005 3.7e+05 2024-05-08 12:24:29,066 INFO [main.py:798]
{rank 0/64} MD step = 227700 step time: 00:00:00.153903 Performance: 60.312 ns/day 0.398 hours/ns 3.490 steps/s 2024-05-08 12:24:33,178 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 147.91 -2271.2 16211 -18482 -18482 -0.00053336 -0.00028573 0.00093339 3.7016e+05 2024-05-08 12:24:51,652 INFO [main.py:798]
{rank 0/64} MD step = 227800 step time: 00:00:00.150325 Performance: 60.318 ns/day 0.398 hours/ns 3.491 steps/s 2024-05-08 12:24:58,487 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 149 -2024.2 16331 -18355 -18355 -0.00076195 -0.00045717 0.00093339 3.703e+05 2024-05-08 12:25:15,556 INFO [main.py:798]
{rank 0/64} MD step = 227900 step time: 00:00:00.157858 Performance: 60.322 ns/day 0.398 hours/ns 3.491 steps/s 2024-05-08 12:25:20,699 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 149.07 -2326.5 16338 -18664 -18664 -0.00064766 -0.00083814 0.00053336 3.7048e+05 2024-05-08 12:25:36,176 INFO [main.py:798]
{rank 0/64} MD step = 228000 step time: 00:00:00.180074 Performance: 60.330 ns/day 0.398 hours/ns 3.491 steps/s 2024-05-08 12:25:42,520 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 147.11 -2370.7 16124 -18495 -18495 -0.00087624 -0.0006667 0.00064766 3.7064e+05 2024-05-08 12:25:58,260 INFO [main.py:798]
{rank 0/64} MD step = 228100 step time: 00:00:00.156586 Performance: 60.336 ns/day 0.398 hours/ns 3.492 steps/s 2024-05-08 12:26:02,897 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 148.69 -2401.5 16296 -18698 -18698 -0.00045717 -0.00064766 0.00080005 3.7078e+05 2024-05-08 12:26:19,030 INFO [main.py:798]
{rank 0/64} MD step = 228200 step time: 00:00:00.144206 Performance: 60.343 ns/day 0.398 hours/ns 3.492 steps/s 2024-05-08 12:26:25,873 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 150.73 -1717.2 16521 -18238 -18238 -0.00034288 -0.00064766 0.00093339 3.7095e+05 2024-05-08 12:26:42,238 INFO [main.py:798]
{rank 0/64} MD step = 228300 step time: 00:00:00.148038 Performance: 60.348 ns/day 0.398 hours/ns 3.492 steps/s 2024-05-08 12:26:48,652 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 151 -1718.5 16549 -18268 -18268 -0.00099053 -0.00076195 0.00059051 3.7114e+05 2024-05-08 12:27:04,647 INFO [main.py:798]
{rank 0/64} MD step = 228400 step time: 00:00:00.147628 Performance: 60.354 ns/day 0.398 hours/ns 3.493 steps/s 2024-05-08 12:27:20,447 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 148.54 -2169.8 16280 -18450 -18450 -0.00062861 -0.00060956 0.00089529 3.713e+05 2024-05-08 12:27:36,585 INFO [main.py:798]
{rank 0/64} MD step = 228500 step time: 00:00:00.146419 Performance: 60.351 ns/day 0.398 hours/ns 3.493 steps/s 2024-05-08 12:27:40,344 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 150.14 -1889.7 16456 -18346 -18346 -0.00040002 -0.00055241 0.00041907 3.7145e+05 2024-05-08 12:27:58,144 INFO [main.py:798]
{rank 0/64} MD step = 228600 step time: 00:00:00.156125 Performance: 60.357 ns/day 0.398 hours/ns 3.493 steps/s 2024-05-08 12:28:04,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228600 45720 150.02 -2070.8 16443 -18514 -18514 -0.00093339 -0.000781 0.00055241 3.7161e+05 2024-05-08 12:28:20,118 INFO [main.py:798]
{rank 0/64} MD step = 228700 step time: 00:00:00.143431 Performance: 60.363 ns/day 0.398 hours/ns 3.493 steps/s 2024-05-08 12:28:24,877 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 151.26 -1752.4 16579 -18331 -18331 -0.00060956 -0.00013334 0.00099053 3.7179e+05 2024-05-08 12:28:41,261 INFO [main.py:798]
{rank 0/64} MD step = 228800 step time: 00:00:00.150571 Performance: 60.370 ns/day 0.398 hours/ns 3.494 steps/s 2024-05-08 12:28:46,658 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 151.52 -1702.1 16606 -18308 -18308 -0.00057622 -0.00041907 0.00045717 3.7198e+05 2024-05-08 12:29:02,605 INFO [main.py:798]
{rank 0/64} MD step = 228900 step time: 00:00:00.159350 Performance: 60.377 ns/day 0.398 hours/ns 3.494 steps/s 2024-05-08 12:29:08,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228900 45780 149.1 -1929.9 16341 -18271 -18271 -0.00060956 -0.00045717 0.00053336 3.7212e+05 2024-05-08 12:29:24,263 INFO [main.py:798]
{rank 0/64} MD step = 229000 step time: 00:00:00.156035 Performance: 60.383 ns/day 0.397 hours/ns 3.494 steps/s 2024-05-08 12:29:29,981 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 151.93 -1709.3 16651 -18361 -18361 -0.00061432 -0.00072385 0.00068575 3.7227e+05 2024-05-08 12:29:45,982 INFO [main.py:798]
{rank 0/64} MD step = 229100 step time: 00:00:00.161776 Performance: 60.390 ns/day 0.397 hours/ns 3.495 steps/s 2024-05-08 12:29:51,612 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 151.32 -1623.7 16585 -18209 -18209 -0.00053336 -0.00089529 0.00068575 3.7243e+05 2024-05-08 12:30:06,994 INFO [main.py:798]
{rank 0/64} MD step = 229200 step time: 00:00:00.158631 Performance: 60.397 ns/day 0.397 hours/ns 3.495 steps/s 2024-05-08 12:30:12,912 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 150.19 -2013.6 16461 -18475 -18475 -0.00068575 -0.00068575 0.00055241 3.7258e+05 2024-05-08 12:30:28,386 INFO [main.py:798]
{rank 0/64} MD step = 229300 step time: 00:00:00.153931 Performance: 60.403 ns/day 0.397 hours/ns 3.496 steps/s 2024-05-08 12:30:39,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229300 45860 151.16 -1910.4 16567 -18477 -18477 -0.00049527 -0.00040955 0.00026668 3.7275e+05 2024-05-08 12:30:55,602 INFO [main.py:798]
{rank 0/64} MD step = 229400 step time: 00:00:00.159376 Performance: 60.405 ns/day 0.397 hours/ns 3.496 steps/s 2024-05-08 12:31:00,570 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 151.34 -1879.1 16587 -18466 -18466 -0.00026668 -0.00090481 0.00030478 3.729e+05 2024-05-08 12:31:16,495 INFO [main.py:798]
{rank 0/64} MD step = 229500 step time: 00:00:00.166921 Performance: 60.412 ns/day 0.397 hours/ns 3.496 steps/s 2024-05-08 12:31:22,269 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 152.09 -1611.6 16670 -18281 -18281 -0.00076195 -0.00083814 0.00038097 3.7308e+05 2024-05-08 12:31:37,844 INFO [main.py:798]
{rank 0/64} MD step = 229600 step time: 00:00:00.164051 Performance: 60.418 ns/day 0.397 hours/ns 3.496 steps/s 2024-05-08 12:31:45,467 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 150.18 -2155.8 16460 -18616 -18616 -0.00027621 -0.00053336 0.00038097 3.7318e+05 2024-05-08 12:32:00,978 INFO [main.py:798]
{rank 0/64} MD step = 229700 step time: 00:00:00.169046 Performance: 60.423 ns/day 0.397 hours/ns 3.497 steps/s 2024-05-08 12:32:06,108 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 150.36 -1839.5 16479 -18319 -18319 -0.00076195 -0.00095243 0.00062861 3.7334e+05 2024-05-08 12:32:22,098 INFO [main.py:798]
{rank 0/64} MD step = 229800 step time: 00:00:00.171183 Performance: 60.430 ns/day 0.397 hours/ns 3.497 steps/s 2024-05-08 12:32:30,426 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 149.51 -2127.3 16386 -18514 -18514 -0.00080005 -0.00045717 0.00068575 3.7352e+05 2024-05-08 12:32:46,277 INFO [main.py:798]
{rank 0/64} MD step = 229900 step time: 00:00:00.187070 Performance: 60.434 ns/day 0.397 hours/ns 3.497 steps/s 2024-05-08 12:32:52,479 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 149.15 -1868.2 16347 -18215 -18215 -0.00091434 -0.00083814 0.00041907 3.7368e+05 2024-05-08 12:33:07,824 INFO [main.py:798]
{rank 0/64} MD step = 230000 step time: 00:00:00.162368 Performance: 60.441 ns/day 0.397 hours/ns 3.498 steps/s 2024-05-08 12:33:15,900 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 149.64 -1981.3 16400 -18382 -18382 -0.00095243 -0.00072861 0.00045717 3.7383e+05 2024-05-08 12:33:31,892 INFO [main.py:798]
{rank 0/64} MD step = 230100 step time: 00:00:00.160212 Performance: 60.445 ns/day 0.397 hours/ns 3.498 steps/s 2024-05-08 12:33:40,131 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 147.87 -1993.3 16207 -18200 -18200 -0.0010667 -0.00053336 0.00076195 3.7397e+05 2024-05-08 12:34:00,348 INFO [main.py:798]
{rank 0/64} MD step = 230200 step time: 00:00:00.150539 Performance: 60.445 ns/day 0.397 hours/ns 3.498 steps/s 2024-05-08 12:34:06,298 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 151.95 -1738.9 16654 -18393 -18393 -0.00064766 -0.00095243 0.00057146 3.7414e+05 2024-05-08 12:34:22,268 INFO [main.py:798]
{rank 0/64} MD step = 230300 step time: 00:00:00.148101 Performance: 60.451 ns/day 0.397 hours/ns 3.498 steps/s 2024-05-08 12:34:29,802 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 151.86 -1662.7 16644 -18306 -18306 -0.00091434 -0.00041907 0.00060956 3.7433e+05 2024-05-08 12:34:45,496 INFO [main.py:798]
{rank 0/64} MD step = 230400 step time: 00:00:00.154379 Performance: 60.456 ns/day 0.397 hours/ns 3.499 steps/s 2024-05-08 12:34:50,904 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 152.67 -1690.6 16733 -18423 -18423 -0.00072385 -0.00062861 0.00060956 3.7441e+05 2024-05-08 12:35:07,608 INFO [main.py:798]
{rank 0/64} MD step = 230500 step time: 00:00:00.162908 Performance: 60.462 ns/day 0.397 hours/ns 3.499 steps/s 2024-05-08 12:35:13,216 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 151.4 -1851.9 16594 -18446 -18446 -0.00071433 -0.00036193 0.00083814 3.7459e+05 2024-05-08 12:35:28,570 INFO [main.py:798]
{rank 0/64} MD step = 230600 step time: 00:00:00.145159 Performance: 60.469 ns/day 0.397 hours/ns 3.499 steps/s 2024-05-08 12:35:40,364 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 148.69 -2134.6 16297 -18431 -18431 -0.00093339 -0.00053336 0.00026668 3.7479e+05 2024-05-08 12:35:57,155 INFO [main.py:798]
{rank 0/64} MD step = 230700 step time: 00:00:00.150375 Performance: 60.469 ns/day 0.397 hours/ns 3.499 steps/s 2024-05-08 12:36:02,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230700 46140 150.9 -1903.2 16539 -18442 -18442 -0.00068575 -0.00099053 0.00076195 3.7498e+05 2024-05-08 12:36:19,004 INFO [main.py:798]
{rank 0/64} MD step = 230800 step time: 00:00:00.159445 Performance: 60.475 ns/day 0.397 hours/ns 3.500 steps/s 2024-05-08 12:36:24,707 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 149.9 -2066.4 16429 -18495 -18495 -0.00030478 -0.00077147 0.00080005 3.7516e+05 2024-05-08 12:36:41,453 INFO [main.py:798]
{rank 0/64} MD step = 230900 step time: 00:00:00.167693 Performance: 60.481 ns/day 0.397 hours/ns 3.500 steps/s 2024-05-08 12:36:47,301 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 149.65 -1778.8 16402 -18181 -18181 -0.00064766 -0.00057146 0.00040002 3.7529e+05 2024-05-08 12:37:02,591 INFO [main.py:798]
{rank 0/64} MD step = 231000 step time: 00:00:00.157090 Performance: 60.488 ns/day 0.397 hours/ns 3.500 steps/s 2024-05-08 12:37:07,910 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 148.63 -2171 16290 -18461 -18461 -0.00024763 -0.00076195 0.00054289 3.7544e+05 2024-05-08 12:37:24,830 INFO [main.py:798]
{rank 0/64} MD step = 231100 step time: 00:00:00.158957 Performance: 60.493 ns/day 0.397 hours/ns 3.501 steps/s 2024-05-08 12:37:30,757 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 152.02 -1786.6 16662 -18448 -18448 -0.00083814 -0.00020954 0.00062861 3.756e+05 2024-05-08 12:37:46,435 INFO [main.py:798]
{rank 0/64} MD step = 231200 step time: 00:00:00.161038 Performance: 60.500 ns/day 0.397 hours/ns 3.501 steps/s 2024-05-08 12:37:51,735 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 149.63 -2049.6 16399 -18449 -18449 -0.00053336 -0.00038097 0.0010667 3.7578e+05 2024-05-08 12:38:07,596 INFO [main.py:798]
{rank 0/64} MD step = 231300 step time: 00:00:00.162360 Performance: 60.507 ns/day 0.397 hours/ns 3.502 steps/s 2024-05-08 12:38:13,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231300 46260 148.96 -2026.7 16326 -18353 -18353 -0.00043812 -0.00046669 0.00068575 3.76e+05 2024-05-08 12:38:28,898 INFO [main.py:798]
{rank 0/64} MD step = 231400 step time: 00:00:00.169003 Performance: 60.513 ns/day 0.397 hours/ns 3.502 steps/s 2024-05-08 12:38:32,636 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 151.12 -1783.9 16563 -18347 -18347 -0.000781 -0.00057146 0.00045717 3.762e+05 2024-05-08 12:38:51,134 INFO [main.py:798]
{rank 0/64} MD step = 231500 step time: 00:00:00.168402 Performance: 60.519 ns/day 0.397 hours/ns 3.502 steps/s 2024-05-08 12:38:59,661 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 151.85 -1480.5 16643 -18123 -18123 -0.00053336 -0.00076195 0.00057146 3.7637e+05 2024-05-08 12:39:15,824 INFO [main.py:798]
{rank 0/64} MD step = 231600 step time: 00:00:00.177296 Performance: 60.523 ns/day 0.397 hours/ns 3.502 steps/s 2024-05-08 12:39:19,998 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 151.25 -1850.8 16577 -18428 -18428 -0.00087624 -0.0007429 0.00090481 3.765e+05 2024-05-08 12:39:36,757 INFO [main.py:798]
{rank 0/64} MD step = 231700 step time: 00:00:00.164761 Performance: 60.530 ns/day 0.397 hours/ns 3.503 steps/s 2024-05-08 12:39:42,432 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 150.06 -1819.5 16447 -18267 -18267 -0.00049527 -0.00076195 0.00022858 3.7666e+05 2024-05-08 12:39:58,320 INFO [main.py:798]
{rank 0/64} MD step = 231800 step time: 00:00:00.170215 Performance: 60.536 ns/day 0.396 hours/ns 3.503 steps/s 2024-05-08 12:40:05,936 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 150.84 -1716.6 16533 -18249 -18249 -0.00079052 -0.00053336 0.00081909 3.7682e+05 2024-05-08 12:40:21,522 INFO [main.py:798]
{rank 0/64} MD step = 231900 step time: 00:00:00.164247 Performance: 60.541 ns/day 0.396 hours/ns 3.504 steps/s 2024-05-08 12:40:27,590 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 149.63 -2134.4 16399 -18534 -18534 -0.00083814 -0.00048574 0.00030478 3.7702e+05 2024-05-08 12:40:43,320 INFO [main.py:798]
{rank 0/64} MD step = 232000 step time: 00:00:00.169410 Performance: 60.547 ns/day 0.396 hours/ns 3.504 steps/s 2024-05-08 12:40:48,618 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 152.12 -1534.7 16673 -18208 -18208 -0.00047622 -0.00053336 0.00045717 3.7716e+05 2024-05-08 12:41:03,364 INFO [main.py:798]
{rank 0/64} MD step = 232100 step time: 00:00:00.156147 Performance: 60.555 ns/day 0.396 hours/ns 3.504 steps/s 2024-05-08 12:41:09,141 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 150.89 -1731.6 16537 -18269 -18269 -0.00020954 -0.00099053 0.00060956 3.7727e+05 2024-05-08 12:41:25,203 INFO [main.py:798]
{rank 0/64} MD step = 232200 step time: 00:00:00.159748 Performance: 60.561 ns/day 0.396 hours/ns 3.505 steps/s 2024-05-08 12:41:31,247 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 147.1 -2358.7 16122 -18481 -18481 -0.00045717 -0.0010667 0.0007429 3.7745e+05 2024-05-08 12:41:46,689 INFO [main.py:798]
{rank 0/64} MD step = 232300 step time: 00:00:00.172720 Performance: 60.567 ns/day 0.396 hours/ns 3.505 steps/s 2024-05-08 12:41:52,175 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 150.05 -1871.6 16445 -18317 -18317 -0.0007048 -0.00041907 0.00055241 3.7762e+05 2024-05-08 12:42:07,482 INFO [main.py:798]
{rank 0/64} MD step = 232400 step time: 00:00:00.159977 Performance: 60.574 ns/day 0.396 hours/ns 3.505 steps/s 2024-05-08 12:42:13,642 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 150.36 -1787.2 16480 -18267 -18267 -0.00048574 -0.00068575 7.6195e-05 3.7781e+05 2024-05-08 12:42:29,347 INFO [main.py:798]
{rank 0/64} MD step = 232500 step time: 00:00:00.150188 Performance: 60.580 ns/day 0.396 hours/ns 3.506 steps/s 2024-05-08 12:42:35,953 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 152.93 -1504.2 16761 -18265 -18265 -0.00076195 -0.00047622 0.00019049 3.7797e+05 2024-05-08 12:42:51,560 INFO [main.py:798]
{rank 0/64} MD step = 232600 step time: 00:00:00.160140 Performance: 60.586 ns/day 0.396 hours/ns 3.506 steps/s 2024-05-08 12:42:56,508 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 151.07 -1947.3 16558 -18505 -18505 -0.00072385 -0.00038097 0.00034288 3.7814e+05 2024-05-08 12:43:11,947 INFO [main.py:798]
{rank 0/64} MD step = 232700 step time: 00:00:00.154807 Performance: 60.594 ns/day 0.396 hours/ns 3.507 steps/s 2024-05-08 12:43:18,010 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 151.84 -1700.4 16642 -18342 -18342 -0.00091434 -0.00087624 0.00060956 3.7831e+05 2024-05-08 12:43:34,061 INFO [main.py:798]
{rank 0/64} MD step = 232800 step time: 00:00:00.159155 Performance: 60.599 ns/day 0.396 hours/ns 3.507 steps/s 2024-05-08 12:43:39,925 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 151.61 -1821.8 16617 -18438 -18438 -0.00022858 -0.00060956 0.00064766 3.7848e+05 2024-05-08 12:43:55,331 INFO [main.py:798]
{rank 0/64} MD step = 232900 step time: 00:00:00.154111 Performance: 60.606 ns/day 0.396 hours/ns 3.507 steps/s 2024-05-08 12:44:01,253 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 148.58 -2171.1 16284 -18455 -18455 -0.0006667 -0.00091434 0.0007429 3.7864e+05 2024-05-08 12:44:17,179 INFO [main.py:798]
{rank 0/64} MD step = 233000 step time: 00:00:00.151759 Performance: 60.612 ns/day 0.396 hours/ns 3.508 steps/s 2024-05-08 12:44:22,699 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 148.64 -2029.3 16291 -18320 -18320 -0.00059051 -0.00040002 0.00077147 3.7884e+05 2024-05-08 12:44:38,472 INFO [main.py:798]
{rank 0/64} MD step = 233100 step time: 00:00:00.156235 Performance: 60.619 ns/day 0.396 hours/ns 3.508 steps/s 2024-05-08 12:44:44,065 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 148.37 -2084.4 16261 -18345 -18345 -0.00057146 -0.0010667 0.00057146 3.7901e+05 2024-05-08 12:44:59,910 INFO [main.py:798]
{rank 0/64} MD step = 233200 step time: 00:00:00.153758 Performance: 60.625 ns/day 0.396 hours/ns 3.508 steps/s 2024-05-08 12:45:04,617 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 148.3 -2219.5 16254 -18474 -18474 -0.00068575 -0.00034288 0.00072385 3.7915e+05 2024-05-08 12:45:21,420 INFO [main.py:798]
{rank 0/64} MD step = 233300 step time: 00:00:00.151234 Performance: 60.632 ns/day 0.396 hours/ns 3.509 steps/s 2024-05-08 12:45:27,136 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 148.23 -2109.2 16246 -18355 -18355 -0.00075242 -0.00043812 0.00060956 3.793e+05 2024-05-08 12:45:43,201 INFO [main.py:798]
{rank 0/64} MD step = 233400 step time: 00:00:00.170549 Performance: 60.638 ns/day 0.396 hours/ns 3.509 steps/s 2024-05-08 12:45:49,310 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 152.42 -1955.3 16705 -18660 -18660 -0.00045717 -0.00059051 0.00013334 3.7947e+05 2024-05-08 12:46:07,382 INFO [main.py:798]
{rank 0/64} MD step = 233500 step time: 00:00:00.158972 Performance: 60.642 ns/day 0.396 hours/ns 3.509 steps/s 2024-05-08 12:46:14,545 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 151.15 -1902 16567 -18469 -18469 -0.00062861 -0.00072385 0.00063813 3.7966e+05 2024-05-08 12:46:30,320 INFO [main.py:798]
{rank 0/64} MD step = 233600 step time: 00:00:00.162466 Performance: 60.647 ns/day 0.396 hours/ns 3.510 steps/s 2024-05-08 12:46:36,335 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 150.09 -2116.3 16450 -18566 -18566 -0.00080005 -0.000781 0.00080005 3.7986e+05 2024-05-08 12:46:51,995 INFO [main.py:798]
{rank 0/64} MD step = 233700 step time: 00:00:00.156001 Performance: 60.653 ns/day 0.396 hours/ns 3.510 steps/s 2024-05-08 12:47:04,816 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 149.31 -2213.6 16365 -18578 -18578 -0.00087624 -0.00083814 0.0006667 3.7997e+05 2024-05-08 12:47:20,730 INFO [main.py:798]
{rank 0/64} MD step = 233800 step time: 00:00:00.154264 Performance: 60.653 ns/day 0.396 hours/ns 3.510 steps/s 2024-05-08 12:47:31,775 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 149.19 -2107.3 16351 -18459 -18459 -0.00055241 -0.00080005 0.00051431 3.8013e+05 2024-05-08 12:47:47,752 INFO [main.py:798]
{rank 0/64} MD step = 233900 step time: 00:00:00.148752 Performance: 60.654 ns/day 0.396 hours/ns 3.510 steps/s 2024-05-08 12:47:55,984 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 150.98 -2004.5 16548 -18553 -18553 -0.0007429 -0.00095243 0.0003143 3.8024e+05 2024-05-08 12:48:10,995 INFO [main.py:798]
{rank 0/64} MD step = 234000 step time: 00:00:00.159256 Performance: 60.659 ns/day 0.396 hours/ns 3.510 steps/s 2024-05-08 12:48:17,282 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 148.27 -2010.5 16251 -18261 -18261 -0.00040002 -0.00076195 0.00032383 3.8042e+05 2024-05-08 12:48:32,719 INFO [main.py:798]
{rank 0/64} MD step = 234100 step time: 00:00:00.149370 Performance: 60.665 ns/day 0.396 hours/ns 3.511 steps/s 2024-05-08 12:48:36,820 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 150.16 -1909.8 16458 -18368 -18368 -0.0003905 -0.00063813 0.00091434 3.8062e+05 2024-05-08 12:49:00,480 INFO [main.py:798]
{rank 0/64} MD step = 234200 step time: 00:00:00.161003 Performance: 60.666 ns/day 0.396 hours/ns 3.511 steps/s 2024-05-08 12:49:07,031 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 150.85 -1831.8 16534 -18365 -18365 -0.00068575 -0.00064766 0.00049527 3.8079e+05 2024-05-08 12:49:22,505 INFO [main.py:798]
{rank 0/64} MD step = 234300 step time: 00:00:00.163133 Performance: 60.671 ns/day 0.396 hours/ns 3.511 steps/s 2024-05-08 12:49:28,649 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 149.04 -1883.7 16335 -18218 -18218 -0.00089529 -0.00059051 0.00049527 3.8092e+05 2024-05-08 12:49:44,186 INFO [main.py:798]
{rank 0/64} MD step = 234400 step time: 00:00:00.158113 Performance: 60.678 ns/day 0.396 hours/ns 3.511 steps/s 2024-05-08 12:49:54,071 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 149.66 -1977.9 16403 -18381 -18381 -0.00032383 -0.0010096 0.00030478 3.8108e+05 2024-05-08 12:50:09,327 INFO [main.py:798]
{rank 0/64} MD step = 234500 step time: 00:00:00.144847 Performance: 60.681 ns/day 0.396 hours/ns 3.512 steps/s 2024-05-08 12:50:23,026 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 149.12 -1726.5 16344 -18070 -18070 -0.00072385 -0.00083814 0.00034288 3.813e+05 2024-05-08 12:50:37,954 INFO [main.py:798]
{rank 0/64} MD step = 234600 step time: 00:00:00.158486 Performance: 60.681 ns/day 0.396 hours/ns 3.512 steps/s 2024-05-08 12:50:45,219 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 150.14 -1972.6 16456 -18428 -18428 -0.00087624 -0.00057146 0.00030478 3.8143e+05 2024-05-08 12:51:00,759 INFO [main.py:798]
{rank 0/64} MD step = 234700 step time: 00:00:00.157191 Performance: 60.686 ns/day 0.395 hours/ns 3.512 steps/s 2024-05-08 12:51:07,065 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 149.95 -1688.3 16434 -18123 -18123 -0.00068575 -0.00037145 0.00060956 3.8158e+05 2024-05-08 12:51:22,765 INFO [main.py:798]
{rank 0/64} MD step = 234800 step time: 00:00:00.159581 Performance: 60.692 ns/day 0.395 hours/ns 3.512 steps/s 2024-05-08 12:51:27,727 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 149.47 -1992.3 16382 -18375 -18375 -0.0004905 -0.00034288 0.00064766 3.8172e+05 2024-05-08 12:51:43,657 INFO [main.py:798]
{rank 0/64} MD step = 234900 step time: 00:00:00.161090 Performance: 60.698 ns/day 0.395 hours/ns 3.513 steps/s 2024-05-08 12:51:53,011 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 150.64 -1898.9 16510 -18409 -18409 -0.0003143 -0.00049527 0.0007048 3.8189e+05 2024-05-08 12:52:09,084 INFO [main.py:798]
{rank 0/64} MD step = 235000 step time: 00:00:00.160716 Performance: 60.701 ns/day 0.395 hours/ns 3.513 steps/s 2024-05-08 12:52:14,171 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 149.45 -2082.9 16380 -18463 -18463 -0.00076195 -0.00089529 0.00045717 3.8202e+05 2024-05-08 12:52:29,183 INFO [main.py:798]
{rank 0/64} MD step = 235100 step time: 00:00:00.155781 Performance: 60.709 ns/day 0.395 hours/ns 3.513 steps/s 2024-05-08 12:52:43,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235100 47020 151.67 -1718.5 16623 -18341 -18341 -0.00068575 -0.00036669 0.00068575 3.822e+05 2024-05-08 12:52:58,283 INFO [main.py:798]
{rank 0/64} MD step = 235200 step time: 00:00:00.159643 Performance: 60.708 ns/day 0.395 hours/ns 3.513 steps/s 2024-05-08 12:53:06,905 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 149.78 -2040.3 16416 -18456 -18456 -0.00045717 -0.00062861 0.00059051 3.8235e+05 2024-05-08 12:53:22,418 INFO [main.py:798]
{rank 0/64} MD step = 235300 step time: 00:00:00.152425 Performance: 60.712 ns/day 0.395 hours/ns 3.513 steps/s 2024-05-08 12:53:29,567 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 149.74 -1995.2 16411 -18407 -18407 -0.00060956 -0.00076195 0.00080005 3.8251e+05 2024-05-08 12:53:46,562 INFO [main.py:798]
{rank 0/64} MD step = 235400 step time: 00:00:00.155853 Performance: 60.716 ns/day 0.395 hours/ns 3.514 steps/s 2024-05-08 12:53:53,099 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 147.27 -2295.3 16141 -18436 -18436 -0.00072385 -0.00083814 0.00059051 3.8274e+05 2024-05-08 12:54:08,825 INFO [main.py:798]
{rank 0/64} MD step = 235500 step time: 00:00:00.154109 Performance: 60.722 ns/day 0.395 hours/ns 3.514 steps/s 2024-05-08 12:54:13,911 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 149.81 -2077.1 16419 -18496 -18496 -0.00038097 -0.00051431 0.00060956 3.829e+05 2024-05-08 12:54:29,611 INFO [main.py:798]
{rank 0/64} MD step = 235600 step time: 00:00:00.171473 Performance: 60.729 ns/day 0.395 hours/ns 3.514 steps/s 2024-05-08 12:54:34,587 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 145.95 -2629.4 15996 -18625 -18625 -0.00068575 -0.00053336 0.00023811 3.8305e+05 2024-05-08 12:54:50,457 INFO [main.py:798]
{rank 0/64} MD step = 235700 step time: 00:00:00.155134 Performance: 60.736 ns/day 0.395 hours/ns 3.515 steps/s 2024-05-08 12:54:57,024 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 148.76 -1958.1 16305 -18263 -18263 -0.00053336 -0.00080957 0.00099053 3.8322e+05 2024-05-08 12:55:12,928 INFO [main.py:798]
{rank 0/64} MD step = 235800 step time: 00:00:00.152101 Performance: 60.741 ns/day 0.395 hours/ns 3.515 steps/s 2024-05-08 12:55:21,420 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 148.79 -2112.7 16307 -18420 -18420 -0.00083814 -0.00091434 0.00064766 3.8337e+05 2024-05-08 12:55:37,556 INFO [main.py:798]
{rank 0/64} MD step = 235900 step time: 00:00:00.161556 Performance: 60.744 ns/day 0.395 hours/ns 3.515 steps/s 2024-05-08 12:55:42,944 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 150.21 -2140.2 16463 -18603 -18603 -0.00037145 -0.00072385 0.00080005 3.8349e+05 2024-05-08 12:55:58,968 INFO [main.py:798]
{rank 0/64} MD step = 236000 step time: 00:00:00.158550 Performance: 60.751 ns/day 0.395 hours/ns 3.516 steps/s 2024-05-08 12:56:04,309 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 150.54 -1797.6 16500 -18297 -18297 -0.00064766 -0.00030478 0.00032383 3.8368e+05 2024-05-08 12:56:19,790 INFO [main.py:798]
{rank 0/64} MD step = 236100 step time: 00:00:00.158667 Performance: 60.758 ns/day 0.395 hours/ns 3.516 steps/s 2024-05-08 12:56:26,548 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 148.99 -2338.6 16330 -18668 -18668 -0.00072385 -0.00038097 0.00030478 3.8381e+05 2024-05-08 12:56:43,427 INFO [main.py:798]
{rank 0/64} MD step = 236200 step time: 00:00:00.157858 Performance: 60.762 ns/day 0.395 hours/ns 3.516 steps/s 2024-05-08 12:56:48,840 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 148.87 -2149.1 16316 -18465 -18465 -0.00080005 -0.00059051 0.00027621 3.8405e+05 2024-05-08 12:57:04,532 INFO [main.py:798]
{rank 0/64} MD step = 236300 step time: 00:00:00.158888 Performance: 60.769 ns/day 0.395 hours/ns 3.517 steps/s 2024-05-08 12:57:09,796 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 149.3 -1988.1 16363 -18351 -18351 -0.00045717 -0.00030478 0.00093339 3.8421e+05 2024-05-08 12:57:25,529 INFO [main.py:798]
{rank 0/64} MD step = 236400 step time: 00:00:00.162899 Performance: 60.775 ns/day 0.395 hours/ns 3.517 steps/s 2024-05-08 12:57:31,975 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 149.64 -2089.7 16401 -18491 -18491 -0.0007048 -0.00068575 0.00030478 3.8434e+05 2024-05-08 12:57:47,425 INFO [main.py:798]
{rank 0/64} MD step = 236500 step time: 00:00:00.153809 Performance: 60.781 ns/day 0.395 hours/ns 3.517 steps/s 2024-05-08 12:57:53,444 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 148.51 -2191.1 16276 -18467 -18467 -0.00053336 -0.00032383 0.00037145 3.8451e+05 2024-05-08 12:58:08,820 INFO [main.py:798]
{rank 0/64} MD step = 236600 step time: 00:00:00.143451 Performance: 60.788 ns/day 0.395 hours/ns 3.518 steps/s 2024-05-08 12:58:16,144 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 149.28 -2107 16361 -18468 -18468 -0.00017144 -0.00064766 0.00030478 3.8469e+05 2024-05-08 12:58:31,536 INFO [main.py:798]
{rank 0/64} MD step = 236700 step time: 00:00:00.148757 Performance: 60.793 ns/day 0.395 hours/ns 3.518 steps/s 2024-05-08 12:58:37,997 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 151.6 -2004.9 16616 -18620 -18620 -0.00045717 -0.00040002 0.00087624 3.8487e+05 2024-05-08 12:58:53,685 INFO [main.py:798]
{rank 0/64} MD step = 236800 step time: 00:00:00.150208 Performance: 60.798 ns/day 0.395 hours/ns 3.518 steps/s 2024-05-08 12:59:00,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236800 47360 149.45 -2167.3 16379 -18547 -18547 -0.00052384 -0.00080005 0.00072385 3.8501e+05 2024-05-08 12:59:17,388 INFO [main.py:798]
{rank 0/64} MD step = 236900 step time: 00:00:00.153538 Performance: 60.803 ns/day 0.395 hours/ns 3.519 steps/s 2024-05-08 12:59:25,938 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 147.12 -2393.7 16125 -18518 -18518 -0.00064766 -0.00053336 0.00026668 3.852e+05 2024-05-08 12:59:42,058 INFO [main.py:798]
{rank 0/64} MD step = 237000 step time: 00:00:00.146717 Performance: 60.806 ns/day 0.395 hours/ns 3.519 steps/s 2024-05-08 12:59:48,208 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 151.4 -1781.5 16593 -18375 -18375 -0.00016191 -0.00047622 0.00076195 3.8539e+05 2024-05-08 13:00:04,438 INFO [main.py:798]
{rank 0/64} MD step = 237100 step time: 00:00:00.161065 Performance: 60.812 ns/day 0.395 hours/ns 3.519 steps/s 2024-05-08 13:00:10,906 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 150.53 -2190.9 16498 -18689 -18689 -0.00093339 -0.00034288 0.00049527 3.8555e+05 2024-05-08 13:00:26,863 INFO [main.py:798]
{rank 0/64} MD step = 237200 step time: 00:00:00.164667 Performance: 60.817 ns/day 0.395 hours/ns 3.520 steps/s 2024-05-08 13:00:31,928 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 149.98 -2112.4 16438 -18551 -18551 -0.0004286 -0.00053336 0.00047622 3.8568e+05 2024-05-08 13:00:47,781 INFO [main.py:798]
{rank 0/64} MD step = 237300 step time: 00:00:00.163994 Performance: 60.824 ns/day 0.395 hours/ns 3.520 steps/s 2024-05-08 13:00:53,556 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 148.57 -2506.6 16283 -18790 -18790 -0.00087624 -0.00038097 0.00053336 3.8586e+05 2024-05-08 13:01:10,072 INFO [main.py:798]
{rank 0/64} MD step = 237400 step time: 00:00:00.155846 Performance: 60.829 ns/day 0.395 hours/ns 3.520 steps/s 2024-05-08 13:01:17,662 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 150.35 -1980.1 16479 -18459 -18459 -0.00080005 -0.0004286 0.00034288 3.8604e+05 2024-05-08 13:01:33,893 INFO [main.py:798]
{rank 0/64} MD step = 237500 step time: 00:00:00.171836 Performance: 60.833 ns/day 0.395 hours/ns 3.520 steps/s 2024-05-08 13:01:43,491 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 149.8 -2262.6 16419 -18681 -18681 -0.00054289 -0.00070956 0.00076195 3.8623e+05 2024-05-08 13:02:00,068 INFO [main.py:798]
{rank 0/64} MD step = 237600 step time: 00:00:00.152070 Performance: 60.835 ns/day 0.395 hours/ns 3.521 steps/s 2024-05-08 13:02:13,683 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 151.98 -1663.6 16657 -18321 -18321 -0.00065718 -0.00053336 0.00049527 3.8641e+05 2024-05-08 13:02:30,176 INFO [main.py:798]
{rank 0/64} MD step = 237700 step time: 00:00:00.170890 Performance: 60.834 ns/day 0.395 hours/ns 3.520 steps/s 2024-05-08 13:02:37,177 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 152.3 -1714.9 16692 -18407 -18407 -0.00041907 -0.00068575 0.00060956 3.8657e+05 2024-05-08 13:02:53,384 INFO [main.py:798]
{rank 0/64} MD step = 237800 step time: 00:00:00.142332 Performance: 60.839 ns/day 0.394 hours/ns 3.521 steps/s 2024-05-08 13:03:00,314 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 150.91 -1952.2 16540 -18492 -18492 -0.00038097 -0.00064766 0.00041907 3.8669e+05 2024-05-08 13:03:16,528 INFO [main.py:798]
{rank 0/64} MD step = 237900 step time: 00:00:00.143729 Performance: 60.843 ns/day 0.394 hours/ns 3.521 steps/s 2024-05-08 13:03:22,669 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 150.46 -1927.9 16491 -18419 -18419 -0.00058099 -0.00043812 0.00057146 3.8686e+05 2024-05-08 13:03:38,627 INFO [main.py:798]
{rank 0/64} MD step = 238000 step time: 00:00:00.143356 Performance: 60.849 ns/day 0.394 hours/ns 3.521 steps/s 2024-05-08 13:03:46,889 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 149.12 -2065 16343 -18408 -18408 -0.00045717 -0.00058099 0.00055241 3.8702e+05 2024-05-08 13:04:02,667 INFO [main.py:798]
{rank 0/64} MD step = 238100 step time: 00:00:00.158713 Performance: 60.853 ns/day 0.394 hours/ns 3.522 steps/s 2024-05-08 13:04:10,372 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 151.61 -1752.9 16616 -18369 -18369 -0.00064766 -0.00076195 0.00049527 3.8719e+05 2024-05-08 13:04:25,740 INFO [main.py:798]
{rank 0/64} MD step = 238200 step time: 00:00:00.162796 Performance: 60.858 ns/day 0.394 hours/ns 3.522 steps/s 2024-05-08 13:04:29,976 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 148.39 -2138.6 16263 -18402 -18402 -0.00034288 -0.00057146 0.00060956 3.8738e+05 2024-05-08 13:04:47,205 INFO [main.py:798]
{rank 0/64} MD step = 238300 step time: 00:00:00.158891 Performance: 60.864 ns/day 0.394 hours/ns 3.522 steps/s 2024-05-08 13:04:53,034 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 149.45 -1988.4 16380 -18368 -18368 -0.0006667 -0.00051431 0.00045717 3.8755e+05 2024-05-08 13:05:08,468 INFO [main.py:798]
{rank 0/64} MD step = 238400 step time: 00:00:00.155942 Performance: 60.870 ns/day 0.394 hours/ns 3.523 steps/s 2024-05-08 13:05:14,593 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 151.23 -1510.2 16575 -18086 -18086 -0.00040002 -0.00049527 0.00060956 3.8769e+05 2024-05-08 13:05:30,777 INFO [main.py:798]
{rank 0/64} MD step = 238500 step time: 00:00:00.156537 Performance: 60.876 ns/day 0.394 hours/ns 3.523 steps/s 2024-05-08 13:05:37,612 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 149.75 -1765.1 16413 -18178 -18178 -0.00099053 -0.00087624 0.0010096 3.8787e+05 2024-05-08 13:05:53,771 INFO [main.py:798]
{rank 0/64} MD step = 238600 step time: 00:00:00.158381 Performance: 60.881 ns/day 0.394 hours/ns 3.523 steps/s 2024-05-08 13:05:59,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238600 47720 149.8 -1763.2 16418 -18181 -18181 -0.00062861 -0.00057146 0.00038097 3.8801e+05 2024-05-08 13:06:15,556 INFO [main.py:798]
{rank 0/64} MD step = 238700 step time: 00:00:00.160616 Performance: 60.887 ns/day 0.394 hours/ns 3.524 steps/s 2024-05-08 13:06:23,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238700 47740 149.39 -1805.1 16373 -18178 -18178 -0.00072385 -0.00040002 0.00086672 3.8813e+05 2024-05-08 13:06:38,964 INFO [main.py:798]
{rank 0/64} MD step = 238800 step time: 00:00:00.154377 Performance: 60.891 ns/day 0.394 hours/ns 3.524 steps/s 2024-05-08 13:06:45,119 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 150.39 -2030.2 16483 -18514 -18514 -0.00080005 -0.0004286 0.00060956 3.8828e+05 2024-05-08 13:07:02,108 INFO [main.py:798]
{rank 0/64} MD step = 238900 step time: 00:00:00.156032 Performance: 60.896 ns/day 0.394 hours/ns 3.524 steps/s 2024-05-08 13:07:08,384 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 148.79 -2129.9 16308 -18438 -18438 -0.00068575 -0.00094291 0.000781 3.8844e+05 2024-05-08 13:07:24,212 INFO [main.py:798]
{rank 0/64} MD step = 239000 step time: 00:00:00.151780 Performance: 60.901 ns/day 0.394 hours/ns 3.524 steps/s 2024-05-08 13:07:35,810 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 148.05 -2235.5 16227 -18462 -18462 -0.0007048 -0.00060956 0.00083814 3.8858e+05 2024-05-08 13:07:51,557 INFO [main.py:798]
{rank 0/64} MD step = 239100 step time: 00:00:00.168037 Performance: 60.902 ns/day 0.394 hours/ns 3.524 steps/s 2024-05-08 13:07:57,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239100 47820 150.18 -1867.5 16460 -18328 -18328 -0.00041907 -0.00072385 0.00045717 3.8873e+05 2024-05-08 13:08:12,654 INFO [main.py:798]
{rank 0/64} MD step = 239200 step time: 00:00:00.150767 Performance: 60.909 ns/day 0.394 hours/ns 3.525 steps/s 2024-05-08 13:08:18,844 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 149.39 -2025.1 16374 -18399 -18399 -0.00047622 -0.00076195 0.00076195 3.8892e+05 2024-05-08 13:08:34,699 INFO [main.py:798]
{rank 0/64} MD step = 239300 step time: 00:00:00.151665 Performance: 60.914 ns/day 0.394 hours/ns 3.525 steps/s 2024-05-08 13:08:40,753 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 148.25 -2082.6 16249 -18332 -18332 -0.00059527 -0.00068575 0.00041907 3.8909e+05 2024-05-08 13:08:56,765 INFO [main.py:798]
{rank 0/64} MD step = 239400 step time: 00:00:00.156439 Performance: 60.920 ns/day 0.394 hours/ns 3.525 steps/s 2024-05-08 13:09:07,983 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 149.34 -2051.9 16367 -18419 -18419 -0.00049527 -0.00034288 0.00089529 3.8925e+05 2024-05-08 13:09:23,626 INFO [main.py:798]
{rank 0/64} MD step = 239500 step time: 00:00:00.161102 Performance: 60.921 ns/day 0.394 hours/ns 3.526 steps/s 2024-05-08 13:09:27,771 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 151 -1921.8 16550 -18472 -18472 -0.00051431 -0.0007429 0.00057146 3.8941e+05 2024-05-08 13:09:45,082 INFO [main.py:798]
{rank 0/64} MD step = 239600 step time: 00:00:00.156816 Performance: 60.928 ns/day 0.394 hours/ns 3.526 steps/s 2024-05-08 13:09:52,325 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 150.17 -2008.1 16459 -18467 -18467 -0.00059051 -0.00060956 0.00038097 3.8955e+05 2024-05-08 13:10:08,164 INFO [main.py:798]
{rank 0/64} MD step = 239700 step time: 00:00:00.154948 Performance: 60.932 ns/day 0.394 hours/ns 3.526 steps/s 2024-05-08 13:10:13,738 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 151.9 -1629.7 16648 -18278 -18278 -0.00049527 -0.00040955 0.0010286 3.897e+05 2024-05-08 13:10:29,804 INFO [main.py:798]
{rank 0/64} MD step = 239800 step time: 00:00:00.161272 Performance: 60.938 ns/day 0.394 hours/ns 3.527 steps/s 2024-05-08 13:10:36,047 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 149.62 -2150.2 16399 -18549 -18549 -0.00068575 -0.00036193 0.00045717 3.8987e+05 2024-05-08 13:10:51,088 INFO [main.py:798]
{rank 0/64} MD step = 239900 step time: 00:00:00.150232 Performance: 60.945 ns/day 0.394 hours/ns 3.527 steps/s 2024-05-08 13:10:58,267 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 148.83 -1984 16311 -18295 -18295 -0.00085719 -0.0006667 0.0003524 3.9006e+05 2024-05-08 13:11:14,198 INFO [main.py:798]
{rank 0/64} MD step = 240000 step time: 00:00:00.150178 Performance: 60.949 ns/day 0.394 hours/ns 3.527 steps/s 2024-05-08 13:11:21,864 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 149.85 -1870.5 16424 -18294 -18294 -0.00030478 -0.00081909 0.00060956 3.9023e+05 2024-05-08 13:11:38,151 INFO [main.py:798]
{rank 0/64} MD step = 240100 step time: 00:00:00.157077 Performance: 60.953 ns/day 0.394 hours/ns 3.527 steps/s 2024-05-08 13:11:45,433 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 151.1 -1785.4 16560 -18346 -18346 -0.00098101 -0.00083814 0.00062861 3.9043e+05 2024-05-08 13:12:00,114 INFO [main.py:798]
{rank 0/64} MD step = 240200 step time: 00:00:00.149936 Performance: 60.959 ns/day 0.394 hours/ns 3.528 steps/s 2024-05-08 13:12:08,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240200 48040 149.65 -1820 16402 -18222 -18222 -0.00095243 -0.00083814 0.00062861 3.9057e+05 2024-05-08 13:12:23,999 INFO [main.py:798]
{rank 0/64} MD step = 240300 step time: 00:00:00.144951 Performance: 60.963 ns/day 0.394 hours/ns 3.528 steps/s 2024-05-08 13:12:30,959 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 150.02 -1934.2 16442 -18377 -18377 -0.00064766 -0.00038097 0.00038097 3.907e+05 2024-05-08 13:12:46,617 INFO [main.py:798]
{rank 0/64} MD step = 240400 step time: 00:00:00.173169 Performance: 60.968 ns/day 0.394 hours/ns 3.528 steps/s 2024-05-08 13:12:51,189 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 151.14 -1729 16565 -18294 -18294 -0.00064766 -0.00052384 0.00057146 3.9088e+05 2024-05-08 13:13:06,748 INFO [main.py:798]
{rank 0/64} MD step = 240500 step time: 00:00:00.158908 Performance: 60.976 ns/day 0.394 hours/ns 3.529 steps/s 2024-05-08 13:13:14,054 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 151.05 -1849.4 16555 -18404 -18404 -0.00091434 -0.00064766 0.00022858 3.9104e+05 2024-05-08 13:13:28,421 INFO [main.py:798]
{rank 0/64} MD step = 240600 step time: 00:00:00.153966 Performance: 60.982 ns/day 0.394 hours/ns 3.529 steps/s 2024-05-08 13:13:37,160 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 149.74 -1858.6 16412 -18271 -18271 -0.00076195 -0.00067623 0.00080005 3.9122e+05 2024-05-08 13:13:53,006 INFO [main.py:798]
{rank 0/64} MD step = 240700 step time: 00:00:00.151804 Performance: 60.985 ns/day 0.394 hours/ns 3.529 steps/s 2024-05-08 13:14:00,823 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 151.27 -1990.2 16579 -18569 -18569 -0.00068575 -0.00087624 0.00081909 3.9132e+05 2024-05-08 13:14:16,347 INFO [main.py:798]
{rank 0/64} MD step = 240800 step time: 00:00:00.156714 Performance: 60.989 ns/day 0.394 hours/ns 3.529 steps/s 2024-05-08 13:14:26,322 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 148.18 -2191.2 16240 -18432 -18432 -0.00083814 -0.0006667 0.00053336 3.9153e+05 2024-05-08 13:14:41,787 INFO [main.py:798]
{rank 0/64} MD step = 240900 step time: 00:00:00.144220 Performance: 60.992 ns/day 0.393 hours/ns 3.530 steps/s 2024-05-08 13:14:47,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240900 48180 149.21 -2064.5 16353 -18418 -18418 -0.00061908 -0.00038097 0.00072385 3.9172e+05 2024-05-08 13:15:03,865 INFO [main.py:798]
{rank 0/64} MD step = 241000 step time: 00:00:00.152980 Performance: 60.998 ns/day 0.393 hours/ns 3.530 steps/s 2024-05-08 13:15:10,920 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 149.73 -1975.1 16411 -18386 -18386 -0.00053336 -0.00054289 0.00055241 3.9189e+05 2024-05-08 13:15:26,775 INFO [main.py:798]
{rank 0/64} MD step = 241100 step time: 00:00:00.156974 Performance: 61.002 ns/day 0.393 hours/ns 3.530 steps/s 2024-05-08 13:15:31,833 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 150.02 -2042.8 16442 -18485 -18485 -0.00065718 -0.00050479 0.00099053 3.9203e+05 2024-05-08 13:15:47,275 INFO [main.py:798]
{rank 0/64} MD step = 241200 step time: 00:00:00.152580 Performance: 61.009 ns/day 0.393 hours/ns 3.531 steps/s 2024-05-08 13:15:53,301 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 150.26 -2163.7 16469 -18633 -18633 -0.00059051 -0.00049527 0.00068575 3.9222e+05 2024-05-08 13:16:09,282 INFO [main.py:798]
{rank 0/64} MD step = 241300 step time: 00:00:00.133117 Performance: 61.015 ns/day 0.393 hours/ns 3.531 steps/s 2024-05-08 13:16:14,973 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 150.24 -1890.8 16466 -18357 -18357 -0.00083814 -0.00076195 0.00030478 3.9236e+05 2024-05-08 13:16:32,014 INFO [main.py:798]
{rank 0/64} MD step = 241400 step time: 00:00:00.139360 Performance: 61.020 ns/day 0.393 hours/ns 3.531 steps/s 2024-05-08 13:16:37,684 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 149.26 -2073.8 16359 -18433 -18433 -0.00086672 -0.00072385 0.00045717 3.9251e+05 2024-05-08 13:16:53,514 INFO [main.py:798]
{rank 0/64} MD step = 241500 step time: 00:00:00.146886 Performance: 61.026 ns/day 0.393 hours/ns 3.532 steps/s 2024-05-08 13:17:02,906 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 149.19 -2202.7 16352 -18554 -18554 -0.00053336 -0.00049527 0.00099053 3.9267e+05 2024-05-08 13:17:18,631 INFO [main.py:798]
{rank 0/64} MD step = 241600 step time: 00:00:00.151404 Performance: 61.029 ns/day 0.393 hours/ns 3.532 steps/s 2024-05-08 13:17:24,773 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 149.92 -1641.2 16431 -18072 -18072 -0.00060956 -0.00032383 0.00095243 3.9287e+05 2024-05-08 13:17:40,761 INFO [main.py:798]
{rank 0/64} MD step = 241700 step time: 00:00:00.147317 Performance: 61.034 ns/day 0.393 hours/ns 3.532 steps/s 2024-05-08 13:17:45,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241700 48340 149.18 -1972.6 16350 -18323 -18323 -0.00059051 -0.00038097 0.00060956 3.9301e+05 2024-05-08 13:18:02,302 INFO [main.py:798]
{rank 0/64} MD step = 241800 step time: 00:00:00.150095 Performance: 61.040 ns/day 0.393 hours/ns 3.532 steps/s 2024-05-08 13:18:09,522 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 149.73 -1812.5 16410 -18223 -18223 -0.00094291 -0.00051431 0.00038097 3.9322e+05 2024-05-08 13:18:25,454 INFO [main.py:798]
{rank 0/64} MD step = 241900 step time: 00:00:00.145946 Performance: 61.045 ns/day 0.393 hours/ns 3.533 steps/s 2024-05-08 13:18:31,037 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 148.81 -1928.8 16310 -18238 -18238 -0.00045717 -0.00083814 0.00081909 3.9339e+05 2024-05-08 13:18:47,192 INFO [main.py:798]
{rank 0/64} MD step = 242000 step time: 00:00:00.151342 Performance: 61.051 ns/day 0.393 hours/ns 3.533 steps/s 2024-05-08 13:18:53,804 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 148.67 -2052.5 16295 -18347 -18347 -0.00091434 -0.00081909 0.00085719 3.9356e+05 2024-05-08 13:19:10,020 INFO [main.py:798]
{rank 0/64} MD step = 242100 step time: 00:00:00.150587 Performance: 61.056 ns/day 0.393 hours/ns 3.533 steps/s 2024-05-08 13:19:23,171 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 152.86 -1466.3 16753 -18220 -18220 -0.00081909 -0.00057146 0.00053336 3.9368e+05 2024-05-08 13:19:38,362 INFO [main.py:798]
{rank 0/64} MD step = 242200 step time: 00:00:00.140532 Performance: 61.056 ns/day 0.393 hours/ns 3.533 steps/s 2024-05-08 13:19:44,892 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 145.99 -2457.2 16001 -18458 -18458 -0.000781 -0.00043812 0.0007048 3.9381e+05 2024-05-08 13:20:01,055 INFO [main.py:798]
{rank 0/64} MD step = 242300 step time: 00:00:00.154752 Performance: 61.061 ns/day 0.393 hours/ns 3.534 steps/s 2024-05-08 13:20:07,481 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 150.14 -2066.7 16456 -18522 -18522 -0.00068575 -0.00049527 0.00045717 3.94e+05 2024-05-08 13:20:23,913 INFO [main.py:798]
{rank 0/64} MD step = 242400 step time: 00:00:00.159634 Performance: 61.066 ns/day 0.393 hours/ns 3.534 steps/s 2024-05-08 13:20:30,155 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 149.41 -1936 16376 -18312 -18312 -0.00091434 -0.00085719 0.00030478 3.9416e+05 2024-05-08 13:20:46,323 INFO [main.py:798]
{rank 0/64} MD step = 242500 step time: 00:00:00.163219 Performance: 61.071 ns/day 0.393 hours/ns 3.534 steps/s 2024-05-08 13:20:52,310 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 147.4 -2236.8 16156 -18393 -18393 -0.00022382 -0.00072385 0.00057146 3.9434e+05 2024-05-08 13:21:08,223 INFO [main.py:798]
{rank 0/64} MD step = 242600 step time: 00:00:00.160027 Performance: 61.077 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 13:21:13,836 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 152.53 -1550.2 16718 -18268 -18268 -0.00087624 -0.00053336 0.00041907 3.9452e+05 2024-05-08 13:21:29,569 INFO [main.py:798]
{rank 0/64} MD step = 242700 step time: 00:00:00.161812 Performance: 61.083 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 13:21:34,841 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 150.57 -1770.7 16502 -18273 -18273 -0.00083814 -0.00045717 0.00040478 3.9468e+05 2024-05-08 13:21:50,710 INFO [main.py:798]
{rank 0/64} MD step = 242800 step time: 00:00:00.159406 Performance: 61.089 ns/day 0.393 hours/ns 3.535 steps/s 2024-05-08 13:21:55,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242800 48560 149.24 -2015 16357 -18372 -18372 -0.00087624 -0.00057146 0.000781 3.9485e+05 2024-05-08 13:22:11,219 INFO [main.py:798]
{rank 0/64} MD step = 242900 step time: 00:00:00.159222 Performance: 61.096 ns/day 0.393 hours/ns 3.536 steps/s 2024-05-08 13:22:16,696 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 147.48 -2346.8 16163 -18510 -18510 -0.00055241 -0.00068575 0.00072385 3.95e+05 2024-05-08 13:22:32,194 INFO [main.py:798]
{rank 0/64} MD step = 243000 step time: 00:00:00.151547 Performance: 61.102 ns/day 0.393 hours/ns 3.536 steps/s 2024-05-08 13:22:38,520 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 149.44 -2253.2 16379 -18632 -18632 -0.00091434 -0.00052384 0.00072385 3.9512e+05 2024-05-08 13:22:54,593 INFO [main.py:798]
{rank 0/64} MD step = 243100 step time: 00:00:00.162696 Performance: 61.108 ns/day 0.393 hours/ns 3.536 steps/s 2024-05-08 13:23:01,129 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 149.1 -2393.9 16341 -18735 -18735 -0.00064766 -0.00053336 0.00046193 3.9532e+05 2024-05-08 13:23:15,863 INFO [main.py:798]
{rank 0/64} MD step = 243200 step time: 00:00:00.155842 Performance: 61.114 ns/day 0.393 hours/ns 3.537 steps/s 2024-05-08 13:23:25,840 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 148.76 -2249.9 16304 -18554 -18554 -0.00091434 -0.00041907 0.0007048 3.9544e+05 2024-05-08 13:23:40,904 INFO [main.py:798]
{rank 0/64} MD step = 243300 step time: 00:00:00.158805 Performance: 61.117 ns/day 0.393 hours/ns 3.537 steps/s 2024-05-08 13:23:46,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243300 48660 147.33 -2189.7 16148 -18338 -18338 -0.00045717 -0.00047622 0.00064766 3.9563e+05 2024-05-08 13:24:02,240 INFO [main.py:798]
{rank 0/64} MD step = 243400 step time: 00:00:00.158051 Performance: 61.123 ns/day 0.393 hours/ns 3.537 steps/s 2024-05-08 13:24:08,531 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 151.63 -1884.9 16619 -18504 -18504 -0.00080005 -0.00020954 0.00084767 3.9578e+05 2024-05-08 13:24:24,473 INFO [main.py:798]
{rank 0/64} MD step = 243500 step time: 00:00:00.157110 Performance: 61.128 ns/day 0.393 hours/ns 3.538 steps/s 2024-05-08 13:24:30,084 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 150.32 -1973.2 16475 -18448 -18448 -0.00099053 -0.00076195 0.00026668 3.9598e+05 2024-05-08 13:24:46,296 INFO [main.py:798]
{rank 0/64} MD step = 243600 step time: 00:00:00.182314 Performance: 61.134 ns/day 0.393 hours/ns 3.538 steps/s 2024-05-08 13:24:51,789 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 149.46 -2255.7 16381 -18637 -18637 -0.00068575 -0.00040002 0.00064766 3.9616e+05 2024-05-08 13:25:07,733 INFO [main.py:798]
{rank 0/64} MD step = 243700 step time: 00:00:00.156978 Performance: 61.140 ns/day 0.393 hours/ns 3.538 steps/s 2024-05-08 13:25:13,159 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 149.99 -2140.4 16439 -18579 -18579 -0.00064766 -0.00097148 0.00030478 3.9626e+05 2024-05-08 13:25:29,290 INFO [main.py:798]
{rank 0/64} MD step = 243800 step time: 00:00:00.156484 Performance: 61.146 ns/day 0.393 hours/ns 3.539 steps/s 2024-05-08 13:25:35,701 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 149.06 -2135.1 16337 -18472 -18472 -0.00076195 -0.00059051 0.00049527 3.9642e+05 2024-05-08 13:25:54,447 INFO [main.py:798]
{rank 0/64} MD step = 243900 step time: 00:00:00.155998 Performance: 61.149 ns/day 0.392 hours/ns 3.539 steps/s 2024-05-08 13:25:59,959 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 150.67 -1717.7 16514 -18232 -18232 -0.00058099 -0.00064766 0.00093339 3.9656e+05 2024-05-08 13:26:15,961 INFO [main.py:798]
{rank 0/64} MD step = 244000 step time: 00:00:00.155623 Performance: 61.155 ns/day 0.392 hours/ns 3.539 steps/s 2024-05-08 13:26:22,334 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 149.13 -2040.7 16345 -18385 -18385 -0.00095243 -0.00064766 0.00058099 3.967e+05 2024-05-08 13:26:39,951 INFO [main.py:798]
{rank 0/64} MD step = 244100 step time: 00:00:00.158460 Performance: 61.159 ns/day 0.392 hours/ns 3.539 steps/s 2024-05-08 13:26:46,228 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 148.48 -2103.9 16274 -18378 -18378 -0.00071433 -0.00079052 0.00036193 3.9687e+05 2024-05-08 13:27:01,905 INFO [main.py:798]
{rank 0/64} MD step = 244200 step time: 00:00:00.160215 Performance: 61.164 ns/day 0.392 hours/ns 3.540 steps/s 2024-05-08 13:27:08,088 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 150.52 -2009.5 16497 -18507 -18507 -0.000781 -0.00064766 0.00083814 3.9705e+05 2024-05-08 13:27:24,214 INFO [main.py:798]
{rank 0/64} MD step = 244300 step time: 00:00:00.158984 Performance: 61.169 ns/day 0.392 hours/ns 3.540 steps/s 2024-05-08 13:27:29,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244300 48860 149.19 -1933.6 16352 -18285 -18285 -0.00076195 -0.00080005 0.00051431 3.9721e+05 2024-05-08 13:27:45,939 INFO [main.py:798]
{rank 0/64} MD step = 244400 step time: 00:00:00.156887 Performance: 61.175 ns/day 0.392 hours/ns 3.540 steps/s 2024-05-08 13:27:51,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244400 48880 150.74 -1765.4 16522 -18287 -18287 -0.00068575 -0.00057146 0.00043812 3.9734e+05 2024-05-08 13:28:08,366 INFO [main.py:798]
{rank 0/64} MD step = 244500 step time: 00:00:00.160324 Performance: 61.180 ns/day 0.392 hours/ns 3.541 steps/s 2024-05-08 13:28:14,363 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 152.61 -1578.4 16727 -18305 -18305 -0.00060956 -0.00068575 0.0004286 3.9749e+05 2024-05-08 13:28:30,021 INFO [main.py:798]
{rank 0/64} MD step = 244600 step time: 00:00:00.170267 Performance: 61.186 ns/day 0.392 hours/ns 3.541 steps/s 2024-05-08 13:28:37,820 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 150.24 -1981.1 16466 -18447 -18447 -0.00053336 -0.00085719 0.00041907 3.9761e+05 2024-05-08 13:28:52,635 INFO [main.py:798]
{rank 0/64} MD step = 244700 step time: 00:00:00.152223 Performance: 61.191 ns/day 0.392 hours/ns 3.541 steps/s 2024-05-08 13:29:00,039 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 151.13 -1894.5 16565 -18459 -18459 -0.00076195 -0.00076195 0.00022858 3.9775e+05 2024-05-08 13:29:17,154 INFO [main.py:798]
{rank 0/64} MD step = 244800 step time: 00:00:00.161918 Performance: 61.194 ns/day 0.392 hours/ns 3.541 steps/s 2024-05-08 13:29:22,133 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 153.25 -1708.4 16796 -18505 -18505 -0.00041907 -0.0006667 0.00059051 3.9792e+05 2024-05-08 13:29:36,917 INFO [main.py:798]
{rank 0/64} MD step = 244900 step time: 00:00:00.155392 Performance: 61.202 ns/day 0.392 hours/ns 3.542 steps/s 2024-05-08 13:29:41,482 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 151.33 -1615.1 16586 -18201 -18201 -0.0007048 -0.00026668 0.00038097 3.981e+05 2024-05-08 13:29:56,627 INFO [main.py:798]
{rank 0/64} MD step = 245000 step time: 00:00:00.151667 Performance: 61.210 ns/day 0.392 hours/ns 3.542 steps/s 2024-05-08 13:30:00,166 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 149.8 -2223.4 16418 -18642 -18642 -0.00050003 -0.00087624 0.00053336 3.9821e+05 2024-05-08 13:30:17,406 INFO [main.py:798]
{rank 0/64} MD step = 245100 step time: 00:00:00.151351 Performance: 61.216 ns/day 0.392 hours/ns 3.543 steps/s 2024-05-08 13:30:22,488 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 149.35 -2140.1 16369 -18509 -18509 -0.0006667 -0.00047622 0.00021906 3.9838e+05 2024-05-08 13:30:38,114 INFO [main.py:798]
{rank 0/64} MD step = 245200 step time: 00:00:00.146043 Performance: 61.223 ns/day 0.392 hours/ns 3.543 steps/s 2024-05-08 13:30:43,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245200 49040 149.16 -1968 16348 -18316 -18316 -0.00045717 -0.00038097 0.00076195 3.9853e+05 2024-05-08 13:31:00,973 INFO [main.py:798]
{rank 0/64} MD step = 245300 step time: 00:00:00.159022 Performance: 61.228 ns/day 0.392 hours/ns 3.543 steps/s 2024-05-08 13:31:06,398 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 148.59 -2108.2 16285 -18394 -18394 -0.00073814 -0.0007048 0.00052384 3.987e+05 2024-05-08 13:31:22,220 INFO [main.py:798]
{rank 0/64} MD step = 245400 step time: 00:00:00.154274 Performance: 61.234 ns/day 0.392 hours/ns 3.544 steps/s 2024-05-08 13:31:27,230 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 151.64 -1820 16620 -18440 -18440 -0.00087624 -0.000781 0.00041907 3.9884e+05 2024-05-08 13:31:44,616 INFO [main.py:798]
{rank 0/64} MD step = 245500 step time: 00:00:00.157653 Performance: 61.239 ns/day 0.392 hours/ns 3.544 steps/s 2024-05-08 13:31:50,650 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 151.25 -1860.7 16577 -18437 -18437 -0.00044764 -0.00041907 0.00020954 3.9901e+05 2024-05-08 13:32:06,687 INFO [main.py:798]
{rank 0/64} MD step = 245600 step time: 00:00:00.159236 Performance: 61.244 ns/day 0.392 hours/ns 3.544 steps/s 2024-05-08 13:32:16,765 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 147.63 -2138.1 16181 -18319 -18319 -0.00057146 -0.00095243 0.00024763 3.9916e+05 2024-05-08 13:32:32,216 INFO [main.py:798]
{rank 0/64} MD step = 245700 step time: 00:00:00.158938 Performance: 61.247 ns/day 0.392 hours/ns 3.544 steps/s 2024-05-08 13:32:42,933 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 149.64 -2033.1 16401 -18434 -18434 -0.00060956 -0.0006667 0.00076195 3.9937e+05 2024-05-08 13:32:57,179 INFO [main.py:798]
{rank 0/64} MD step = 245800 step time: 00:00:00.156220 Performance: 61.250 ns/day 0.392 hours/ns 3.545 steps/s 2024-05-08 13:33:02,753 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 148.6 -2113.8 16287 -18400 -18400 -0.00072385 -0.00049527 0.00089529 3.9949e+05 2024-05-08 13:33:17,857 INFO [main.py:798]
{rank 0/64} MD step = 245900 step time: 00:00:00.141785 Performance: 61.256 ns/day 0.392 hours/ns 3.545 steps/s 2024-05-08 13:33:23,132 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 149.9 -1813.5 16429 -18243 -18243 -0.00068575 -0.0007048 0.00081433 3.9967e+05 2024-05-08 13:33:39,108 INFO [main.py:798]
{rank 0/64} MD step = 246000 step time: 00:00:00.149386 Performance: 61.262 ns/day 0.392 hours/ns 3.545 steps/s 2024-05-08 13:33:45,706 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 149.5 -1969.1 16386 -18355 -18355 -0.00081909 -9.5243e-05 0.00062861 3.998e+05 2024-05-08 13:34:01,582 INFO [main.py:798]
{rank 0/64} MD step = 246100 step time: 00:00:00.142758 Performance: 61.267 ns/day 0.392 hours/ns 3.546 steps/s 2024-05-08 13:34:08,206 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 151.37 -1503.7 16591 -18095 -18095 -0.00043812 -0.00028573 0.0007429 3.9997e+05 2024-05-08 13:34:24,033 INFO [main.py:798]
{rank 0/64} MD step = 246200 step time: 00:00:00.140207 Performance: 61.272 ns/day 0.392 hours/ns 3.546 steps/s 2024-05-08 13:34:34,218 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 148 -2146.3 16221 -18367 -18367 -0.00011429 -0.00053336 0.00053336 4.001e+05 2024-05-08 13:34:49,803 INFO [main.py:798]
{rank 0/64} MD step = 246300 step time: 00:00:00.153814 Performance: 61.275 ns/day 0.392 hours/ns 3.546 steps/s 2024-05-08 13:34:58,023 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 150.12 -1877.5 16453 -18331 -18331 -0.00030478 -0.00068099 0.00072385 4.0028e+05 2024-05-08 13:35:14,277 INFO [main.py:798]
{rank 0/64} MD step = 246400 step time: 00:00:00.161858 Performance: 61.278 ns/day 0.392 hours/ns 3.546 steps/s 2024-05-08 13:35:20,404 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 151.11 -1746.6 16562 -18308 -18308 -0.00087624 -0.00060956 0.00047622 4.0046e+05 2024-05-08 13:35:35,976 INFO [main.py:798]
{rank 0/64} MD step = 246500 step time: 00:00:00.158450 Performance: 61.284 ns/day 0.392 hours/ns 3.547 steps/s 2024-05-08 13:35:41,615 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 153.36 -1666.3 16808 -18475 -18475 -0.00028573 -0.00022858 0.00064766 4.0064e+05 2024-05-08 13:36:00,082 INFO [main.py:798]
{rank 0/64} MD step = 246600 step time: 00:00:00.153943 Performance: 61.287 ns/day 0.392 hours/ns 3.547 steps/s 2024-05-08 13:36:07,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 49320 148.71 -2121.4 16299 -18421 -18421 -0.00043812 -0.00053336 0.0006667 4.008e+05 2024-05-08 13:36:23,719 INFO [main.py:798]
{rank 0/64} MD step = 246700 step time: 00:00:00.164082 Performance: 61.291 ns/day 0.392 hours/ns 3.547 steps/s 2024-05-08 13:36:29,819 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 149.9 -2249.2 16429 -18678 -18678 -0.00037145 -0.00062861 0.00049527 4.0091e+05 2024-05-08 13:36:46,700 INFO [main.py:798]
{rank 0/64} MD step = 246800 step time: 00:00:00.144132 Performance: 61.296 ns/day 0.392 hours/ns 3.547 steps/s 2024-05-08 13:36:53,312 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 149.25 -2180.5 16358 -18539 -18539 -0.00053336 -0.00072385 0.00041907 4.0109e+05 2024-05-08 13:37:08,475 INFO [main.py:798]
{rank 0/64} MD step = 246900 step time: 00:00:00.148084 Performance: 61.301 ns/day 0.392 hours/ns 3.548 steps/s 2024-05-08 13:37:16,432 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 147.28 -2465.7 16142 -18608 -18608 -0.00038097 -0.00051431 0.00083814 4.0123e+05 2024-05-08 13:37:32,304 INFO [main.py:798]
{rank 0/64} MD step = 247000 step time: 00:00:00.131918 Performance: 61.305 ns/day 0.391 hours/ns 3.548 steps/s 2024-05-08 13:37:39,532 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 149.94 -2119.4 16434 -18553 -18553 -0.00057146 -0.00041907 0.00054289 4.0136e+05 2024-05-08 13:37:55,578 INFO [main.py:798]
{rank 0/64} MD step = 247100 step time: 00:00:00.142734 Performance: 61.310 ns/day 0.391 hours/ns 3.548 steps/s 2024-05-08 13:38:01,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247100 49420 150.18 -2016 16460 -18476 -18476 -0.00055241 -0.00056194 0.00044764 4.0158e+05 2024-05-08 13:38:18,191 INFO [main.py:798]
{rank 0/64} MD step = 247200 step time: 00:00:00.144972 Performance: 61.315 ns/day 0.391 hours/ns 3.548 steps/s 2024-05-08 13:38:24,251 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 149.64 -1963.5 16401 -18364 -18364 -0.00091434 -0.00053336 0.00072385 4.0174e+05 2024-05-08 13:38:40,689 INFO [main.py:798]
{rank 0/64} MD step = 247300 step time: 00:00:00.153049 Performance: 61.320 ns/day 0.391 hours/ns 3.549 steps/s 2024-05-08 13:38:48,491 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 151.28 -1865.2 16580 -18446 -18446 -0.0006667 -0.00026668 0.00038097 4.0185e+05 2024-05-08 13:39:04,766 INFO [main.py:798]
{rank 0/64} MD step = 247400 step time: 00:00:00.152659 Performance: 61.323 ns/day 0.391 hours/ns 3.549 steps/s 2024-05-08 13:40:32,082 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 149.31 -2169 16364 -18533 -18533 -0.00041907 -0.00099053 0.00030478 4.0204e+05 2024-05-08 13:40:48,546 INFO [main.py:798]
{rank 0/64} MD step = 247500 step time: 00:00:00.161997 Performance: 61.257 ns/day 0.392 hours/ns 3.545 steps/s 2024-05-08 13:40:56,620 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 148.07 -2363.5 16229 -18593 -18593 -0.00080005 -0.00083814 0.00030478 4.0224e+05 2024-05-08 13:41:12,696 INFO [main.py:798]
{rank 0/64} MD step = 247600 step time: 00:00:00.166179 Performance: 61.260 ns/day 0.392 hours/ns 3.545 steps/s 2024-05-08 13:41:20,187 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 149.74 -2199.9 16411 -18611 -18611 -0.00076195 -0.00068575 0.000781 4.0238e+05 2024-05-08 13:41:35,607 INFO [main.py:798]
{rank 0/64} MD step = 247700 step time: 00:00:00.161052 Performance: 61.265 ns/day 0.392 hours/ns 3.545 steps/s 2024-05-08 13:41:43,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247700 49540 149.52 -2308.1 16387 -18695 -18695 -0.00059051 -0.00089529 0.00076195 4.0255e+05 2024-05-08 13:41:58,736 INFO [main.py:798]
{rank 0/64} MD step = 247800 step time: 00:00:00.160266 Performance: 61.269 ns/day 0.392 hours/ns 3.546 steps/s 2024-05-08 13:42:03,987 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 147.87 -2576.2 16206 -18783 -18783 -0.00099053 -0.00062861 0.00052384 4.0273e+05 2024-05-08 13:42:24,013 INFO [main.py:798]
{rank 0/64} MD step = 247900 step time: 00:00:00.160890 Performance: 61.272 ns/day 0.392 hours/ns 3.546 steps/s 2024-05-08 13:42:30,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247900 49580 152.61 -1791.6 16726 -18518 -18518 -0.00062861 -0.00072385 0.00077147 4.0284e+05 2024-05-08 13:42:45,318 INFO [main.py:798]
{rank 0/64} MD step = 248000 step time: 00:00:00.157120 Performance: 61.278 ns/day 0.392 hours/ns 3.546 steps/s 2024-05-08 13:42:49,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248000 49600 151.23 -2015.3 16575 -18591 -18591 -0.00082862 -0.00087624 0.00060956 4.0301e+05 2024-05-08 13:43:07,045 INFO [main.py:798]
{rank 0/64} MD step = 248100 step time: 00:00:00.160061 Performance: 61.284 ns/day 0.392 hours/ns 3.547 steps/s 2024-05-08 13:43:14,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248100 49620 150.32 -1919.2 16475 -18394 -18394 -0.00053336 -0.00068575 0.00060956 4.0316e+05 2024-05-08 13:43:30,066 INFO [main.py:798]
{rank 0/64} MD step = 248200 step time: 00:00:00.159165 Performance: 61.288 ns/day 0.392 hours/ns 3.547 steps/s 2024-05-08 13:43:36,425 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 149.65 -1810.3 16402 -18212 -18212 -0.00057146 -0.00053336 0.00087624 4.0336e+05 2024-05-08 13:43:51,878 INFO [main.py:798]
{rank 0/64} MD step = 248300 step time: 00:00:00.161496 Performance: 61.294 ns/day 0.392 hours/ns 3.547 steps/s 2024-05-08 13:43:57,694 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 151.51 -1743.2 16606 -18349 -18349 -0.00053336 -0.00041907 0.00049527 4.0348e+05 2024-05-08 13:44:13,150 INFO [main.py:798]
{rank 0/64} MD step = 248400 step time: 00:00:00.166981 Performance: 61.300 ns/day 0.392 hours/ns 3.547 steps/s 2024-05-08 13:44:20,635 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 151.44 -1832.5 16598 -18430 -18430 -0.00055241 -0.00080005 0.00064766 4.0366e+05 2024-05-08 13:44:35,533 INFO [main.py:798]
{rank 0/64} MD step = 248500 step time: 00:00:00.173159 Performance: 61.305 ns/day 0.391 hours/ns 3.548 steps/s 2024-05-08 13:44:42,158 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 147.94 -2236.4 16214 -18451 -18451 -0.00034288 -0.00057146 0.00053336 4.0386e+05 2024-05-08 13:44:57,206 INFO [main.py:798]
{rank 0/64} MD step = 248600 step time: 00:00:00.156688 Performance: 61.311 ns/day 0.391 hours/ns 3.548 steps/s 2024-05-08 13:45:09,248 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 148.58 -2273.4 16284 -18558 -18558 -0.00083814 -0.00046669 0.00068575 4.0397e+05 2024-05-08 13:45:24,998 INFO [main.py:798]
{rank 0/64} MD step = 248700 step time: 00:00:00.173119 Performance: 61.311 ns/day 0.391 hours/ns 3.548 steps/s 2024-05-08 13:45:29,921 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 149.28 -1840 16362 -18202 -18202 -0.00068575 -0.00057146 0.00040002 4.0418e+05 2024-05-08 13:45:46,821 INFO [main.py:798]
{rank 0/64} MD step = 248800 step time: 00:00:00.166326 Performance: 61.317 ns/day 0.391 hours/ns 3.548 steps/s 2024-05-08 13:45:53,333 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 150.09 -2063 16450 -18513 -18513 -0.00080957 -0.00081909 0.00045717 4.0431e+05 2024-05-08 13:46:09,189 INFO [main.py:798]
{rank 0/64} MD step = 248900 step time: 00:00:00.167984 Performance: 61.322 ns/day 0.391 hours/ns 3.549 steps/s 2024-05-08 13:46:14,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248900 49780 150.64 -1947.6 16511 -18458 -18458 -0.00064766 -0.0006667 0.00051431 4.0447e+05 2024-05-08 13:46:30,299 INFO [main.py:798]
{rank 0/64} MD step = 249000 step time: 00:00:00.160602 Performance: 61.328 ns/day 0.391 hours/ns 3.549 steps/s 2024-05-08 13:46:37,240 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 150.54 -1963.4 16500 -18463 -18463 -0.00045717 -0.00068575 0.00080005 4.0462e+05 2024-05-08 13:46:53,745 INFO [main.py:798]
{rank 0/64} MD step = 249100 step time: 00:00:00.168697 Performance: 61.332 ns/day 0.391 hours/ns 3.549 steps/s 2024-05-08 13:46:59,326 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 151.16 -1913.8 16568 -18481 -18481 -0.00087624 -0.00045717 0.000781 4.0477e+05 2024-05-08 13:47:14,403 INFO [main.py:798]
{rank 0/64} MD step = 249200 step time: 00:00:00.167793 Performance: 61.339 ns/day 0.391 hours/ns 3.550 steps/s 2024-05-08 13:47:20,187 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 151 -1801.6 16550 -18352 -18352 -0.00020954 -0.00040955 0.00045717 4.0494e+05 2024-05-08 13:47:35,810 INFO [main.py:798]
{rank 0/64} MD step = 249300 step time: 00:00:00.148108 Performance: 61.344 ns/day 0.391 hours/ns 3.550 steps/s 2024-05-08 13:47:40,936 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 148.62 -2279.3 16289 -18569 -18569 -0.00053336 -0.0006667 0.00034288 4.0513e+05 2024-05-08 13:47:57,059 INFO [main.py:798]
{rank 0/64} MD step = 249400 step time: 00:00:00.156438 Performance: 61.350 ns/day 0.391 hours/ns 3.550 steps/s 2024-05-08 13:48:03,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249400 49880 148.77 -2182 16305 -18487 -18487 -0.00080005 -0.00038097 0.00045717 4.0529e+05 2024-05-08 13:48:20,705 INFO [main.py:798]
{rank 0/64} MD step = 249500 step time: 00:00:00.153122 Performance: 61.354 ns/day 0.391 hours/ns 3.551 steps/s 2024-05-08 13:48:28,958 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 149.8 -2242.6 16418 -18661 -18661 -0.00068575 -0.00060956 0.00049527 4.0543e+05 2024-05-08 13:48:43,899 INFO [main.py:798]
{rank 0/64} MD step = 249600 step time: 00:00:00.144663 Performance: 61.359 ns/day 0.391 hours/ns 3.551 steps/s 2024-05-08 13:48:48,551 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 151.32 -1860.7 16584 -18445 -18445 -0.00053336 -0.00089767 0.00060956 4.0561e+05 2024-05-08 13:49:04,519 INFO [main.py:798]
{rank 0/64} MD step = 249700 step time: 00:00:00.146383 Performance: 61.365 ns/day 0.391 hours/ns 3.551 steps/s 2024-05-08 13:49:11,239 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 150.68 -1732.2 16514 -18246 -18246 -0.00083814 -0.00080005 0.00053336 4.0578e+05 2024-05-08 13:49:26,972 INFO [main.py:798]
{rank 0/64} MD step = 249800 step time: 00:00:00.149183 Performance: 61.370 ns/day 0.391 hours/ns 3.552 steps/s 2024-05-08 13:49:34,147 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 148.66 -2013 16293 -18306 -18306 -0.00053336 -0.00081909 0.00049527 4.0595e+05 2024-05-08 13:49:50,086 INFO [main.py:798]
{rank 0/64} MD step = 249900 step time: 00:00:00.155327 Performance: 61.375 ns/day 0.391 hours/ns 3.552 steps/s 2024-05-08 13:49:55,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249900 49980 147.86 -2181.6 16206 -18387 -18387 -0.00027621 -0.00030478 0.0011429 4.0611e+05 2024-05-08 13:50:12,059 INFO [main.py:798]
{rank 0/64} MD step = 250000 step time: 00:00:00.149946 Performance: 61.380 ns/day 0.391 hours/ns 3.552 steps/s 2024-05-08 13:50:18,502 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 151.13 -1671.6 16564 -18236 -18236 -0.00041907 -0.00084767 0.00053336 4.0625e+05 2024-05-08 13:50:34,412 INFO [main.py:798]
{rank 0/64} MD step = 250100 step time: 00:00:00.160165 Performance: 61.385 ns/day 0.391 hours/ns 3.552 steps/s 2024-05-08 13:50:44,231 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 150.18 -1988.5 16460 -18449 -18449 -0.00051431 -0.00038097 0.00034288 4.0643e+05 2024-05-08 13:51:00,210 INFO [main.py:798]
{rank 0/64} MD step = 250200 step time: 00:00:00.162228 Performance: 61.387 ns/day 0.391 hours/ns 3.552 steps/s 2024-05-08 13:51:06,317 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 149.76 -2126.8 16413 -18540 -18540 -0.00097148 -0.0003524 0.0010667 4.0659e+05 2024-05-08 13:51:22,399 INFO [main.py:798]
{rank 0/64} MD step = 250300 step time: 00:00:00.167887 Performance: 61.392 ns/day 0.391 hours/ns 3.553 steps/s 2024-05-08 13:51:28,082 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 148.91 -2090.2 16321 -18411 -18411 -0.00091434 -0.00072385 0.00064766 4.0671e+05 2024-05-08 13:51:43,621 INFO [main.py:798]
{rank 0/64} MD step = 250400 step time: 00:00:00.158817 Performance: 61.398 ns/day 0.391 hours/ns 3.553 steps/s 2024-05-08 13:51:49,094 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 150.51 -2018.8 16496 -18514 -18514 -0.00073337 -0.00044764 0.00090481 4.0687e+05 2024-05-08 13:52:04,582 INFO [main.py:798]
{rank 0/64} MD step = 250500 step time: 00:00:00.143597 Performance: 61.405 ns/day 0.391 hours/ns 3.554 steps/s 2024-05-08 13:52:13,786 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 150.03 -1940.9 16443 -18384 -18384 -0.00038097 -0.00083814 0.00041907 4.0703e+05 2024-05-08 13:52:29,169 INFO [main.py:798]
{rank 0/64} MD step = 250600 step time: 00:00:00.152424 Performance: 61.408 ns/day 0.391 hours/ns 3.554 steps/s 2024-05-08 13:52:39,188 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 149.02 -2118.1 16333 -18451 -18451 -0.00061908 -0.00072385 -0.00036193 4.0724e+05 2024-05-08 13:52:54,929 INFO [main.py:798]
{rank 0/64} MD step = 250700 step time: 00:00:00.160909 Performance: 61.410 ns/day 0.391 hours/ns 3.554 steps/s 2024-05-08 13:53:00,230 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 152.69 -1580.4 16735 -18316 -18316 -0.00087624 -0.00057146 0.00038097 4.0741e+05 2024-05-08 13:53:15,881 INFO [main.py:798]
{rank 0/64} MD step = 250800 step time: 00:00:00.152461 Performance: 61.416 ns/day 0.391 hours/ns 3.554 steps/s 2024-05-08 13:53:21,592 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 147.58 -2363.3 16175 -18539 -18539 -0.00072385 -0.00083814 0.00049527 4.0758e+05 2024-05-08 13:53:37,169 INFO [main.py:798]
{rank 0/64} MD step = 250900 step time: 00:00:00.152522 Performance: 61.422 ns/day 0.391 hours/ns 3.555 steps/s 2024-05-08 13:53:41,972 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 148.39 -2143.4 16264 -18408 -18408 -0.00063813 -0.0007048 0.0007048 4.0772e+05 2024-05-08 13:53:58,063 INFO [main.py:798]
{rank 0/64} MD step = 251000 step time: 00:00:00.144977 Performance: 61.428 ns/day 0.391 hours/ns 3.555 steps/s 2024-05-08 13:54:03,734 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 149.96 -1855.5 16435 -18291 -18291 -0.00044764 -0.00076195 0.00041907 4.0788e+05 2024-05-08 13:54:19,497 INFO [main.py:798]
{rank 0/64} MD step = 251100 step time: 00:00:00.144845 Performance: 61.434 ns/day 0.391 hours/ns 3.555 steps/s 2024-05-08 13:54:23,729 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 148.32 -2343.5 16256 -18600 -18600 -0.00068575 -0.00095243 0.00071433 4.0797e+05 2024-05-08 13:54:41,382 INFO [main.py:798]
{rank 0/64} MD step = 251200 step time: 00:00:00.136906 Performance: 61.440 ns/day 0.391 hours/ns 3.556 steps/s 2024-05-08 13:54:46,993 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 148.88 -2289.4 16317 -18607 -18607 -0.00095243 -0.0007429 0.00076195 4.0815e+05 2024-05-08 13:55:03,159 INFO [main.py:798]
{rank 0/64} MD step = 251300 step time: 00:00:00.144248 Performance: 61.445 ns/day 0.391 hours/ns 3.556 steps/s 2024-05-08 13:55:09,544 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 151.28 -1937.4 16581 -18518 -18518 -0.000781 -0.00072385 0.00036193 4.0824e+05 2024-05-08 13:55:25,842 INFO [main.py:798]
{rank 0/64} MD step = 251400 step time: 00:00:00.161428 Performance: 61.450 ns/day 0.391 hours/ns 3.556 steps/s 2024-05-08 13:55:31,435 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 151.72 -1708.1 16629 -18337 -18337 -0.0007048 -0.00053336 0.0006667 4.0849e+05 2024-05-08 13:55:47,321 INFO [main.py:798]
{rank 0/64} MD step = 251500 step time: 00:00:00.157036 Performance: 61.456 ns/day 0.391 hours/ns 3.556 steps/s 2024-05-08 13:55:54,006 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 147.99 -2167.8 16220 -18387 -18387 -0.00053336 -0.00044764 0.00034288 4.086e+05 2024-05-08 13:56:09,976 INFO [main.py:798]
{rank 0/64} MD step = 251600 step time: 00:00:00.154703 Performance: 61.460 ns/day 0.390 hours/ns 3.557 steps/s 2024-05-08 13:56:16,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251600 50320 147.68 -2256 16186 -18442 -18442 -0.00034288 -0.00048574 0.00053336 4.0875e+05 2024-05-08 13:56:32,805 INFO [main.py:798]
{rank 0/64} MD step = 251700 step time: 00:00:00.153305 Performance: 61.465 ns/day 0.390 hours/ns 3.557 steps/s 2024-05-08 13:56:42,979 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 151.79 -1926.5 16636 -18563 -18563 -0.00060956 -0.00092386 0.00087624 4.0894e+05 2024-05-08 13:57:00,186 INFO [main.py:798]
{rank 0/64} MD step = 251800 step time: 00:00:00.153920 Performance: 61.466 ns/day 0.390 hours/ns 3.557 steps/s 2024-05-08 13:57:06,655 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 149.81 -2020.4 16419 -18439 -18439 -0.00045717 -0.00085719 0.00085719 4.0914e+05 2024-05-08 13:57:22,755 INFO [main.py:798]
{rank 0/64} MD step = 251900 step time: 00:00:00.152554 Performance: 61.470 ns/day 0.390 hours/ns 3.557 steps/s 2024-05-08 13:57:29,321 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 149.99 -1965.3 16440 -18405 -18405 -0.00060956 -0.00084767 0.00047622 4.0928e+05 2024-05-08 13:57:45,396 INFO [main.py:798]
{rank 0/64} MD step = 252000 step time: 00:00:00.148726 Performance: 61.475 ns/day 0.390 hours/ns 3.558 steps/s 2024-05-08 13:57:51,389 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 149.54 -2276.6 16390 -18666 -18666 -0.00057146 -0.00060956 0.00087624 4.0937e+05 2024-05-08 13:58:07,612 INFO [main.py:798]
{rank 0/64} MD step = 252100 step time: 00:00:00.149932 Performance: 61.480 ns/day 0.390 hours/ns 3.558 steps/s 2024-05-08 13:58:14,162 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 150.43 -2026.8 16488 -18514 -18514 -0.00034288 -0.00029525 0.00073814 4.0959e+05 2024-05-08 13:58:30,116 INFO [main.py:798]
{rank 0/64} MD step = 252200 step time: 00:00:00.154591 Performance: 61.485 ns/day 0.390 hours/ns 3.558 steps/s 2024-05-08 13:58:35,507 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 151.07 -1959.7 16558 -18518 -18518 -0.00056194 -0.00019049 0.00030478 4.0973e+05 2024-05-08 13:58:51,291 INFO [main.py:798]
{rank 0/64} MD step = 252300 step time: 00:00:00.158678 Performance: 61.491 ns/day 0.390 hours/ns 3.559 steps/s 2024-05-08 13:58:57,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252300 50460 149.09 -2196 16340 -18536 -18536 -0.00060956 -0.00057146 0.00068575 4.0987e+05 2024-05-08 13:59:12,495 INFO [main.py:798]
{rank 0/64} MD step = 252400 step time: 00:00:00.153805 Performance: 61.497 ns/day 0.390 hours/ns 3.559 steps/s 2024-05-08 13:59:18,124 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 149.83 -1938.6 16422 -18360 -18360 -0.00076195 -0.00068575 0.00091434 4.1005e+05 2024-05-08 13:59:33,695 INFO [main.py:798]
{rank 0/64} MD step = 252500 step time: 00:00:00.150351 Performance: 61.503 ns/day 0.390 hours/ns 3.559 steps/s 2024-05-08 13:59:39,280 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 150.21 -2041.8 16463 -18505 -18505 -0.00092862 -0.00085719 0.00045717 4.1024e+05 2024-05-08 13:59:55,045 INFO [main.py:798]
{rank 0/64} MD step = 252600 step time: 00:00:00.162129 Performance: 61.509 ns/day 0.390 hours/ns 3.560 steps/s 2024-05-08 14:00:00,415 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 149.69 -2310.1 16406 -18716 -18716 -0.0003143 -0.00061908 0.00053336 4.1038e+05 2024-05-08 14:00:15,584 INFO [main.py:798]
{rank 0/64} MD step = 252700 step time: 00:00:00.153505 Performance: 61.515 ns/day 0.390 hours/ns 3.560 steps/s 2024-05-08 14:00:20,345 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 149.44 -2137 16379 -18516 -18516 -0.00062861 -0.00060956 0.00029525 4.1054e+05 2024-05-08 14:00:37,585 INFO [main.py:798]
{rank 0/64} MD step = 252800 step time: 00:00:00.160863 Performance: 61.521 ns/day 0.390 hours/ns 3.560 steps/s 2024-05-08 14:00:43,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252800 50560 150.67 -2214.6 16513 -18728 -18728 -0.0006667 -0.00057146 0.00053336 4.1071e+05 2024-05-08 14:00:59,073 INFO [main.py:798]
{rank 0/64} MD step = 252900 step time: 00:00:00.150633 Performance: 61.526 ns/day 0.390 hours/ns 3.561 steps/s 2024-05-08 14:01:04,898 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 151.47 -1771.6 16602 -18373 -18373 -0.00063813 -0.00083814 0.00083814 4.1087e+05 2024-05-08 14:01:20,746 INFO [main.py:798]
{rank 0/64} MD step = 253000 step time: 00:00:00.160622 Performance: 61.532 ns/day 0.390 hours/ns 3.561 steps/s 2024-05-08 14:01:26,203 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 151.61 -1915.2 16617 -18532 -18532 -0.00041907 -0.00093339 0.00030478 4.1098e+05 2024-05-08 14:01:42,226 INFO [main.py:798]
{rank 0/64} MD step = 253100 step time: 00:00:00.144570 Performance: 61.538 ns/day 0.390 hours/ns 3.561 steps/s 2024-05-08 14:01:47,540 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 151.23 -1831.7 16575 -18407 -18407 -0.00057146 -0.00068575 0.00090481 4.112e+05 2024-05-08 14:02:03,627 INFO [main.py:798]
{rank 0/64} MD step = 253200 step time: 00:00:00.152461 Performance: 61.544 ns/day 0.390 hours/ns 3.562 steps/s 2024-05-08 14:02:08,736 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 151.69 -1904.6 16625 -18530 -18530 -0.00060956 -0.00043812 0.00080005 4.1133e+05 2024-05-08 14:02:25,003 INFO [main.py:798]
{rank 0/64} MD step = 253300 step time: 00:00:00.160661 Performance: 61.549 ns/day 0.390 hours/ns 3.562 steps/s 2024-05-08 14:02:30,507 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 150.91 -1920.8 16540 -18461 -18461 -0.00089529 -0.00088576 0.00053336 4.115e+05 2024-05-08 14:02:45,991 INFO [main.py:798]
{rank 0/64} MD step = 253400 step time: 00:00:00.157540 Performance: 61.555 ns/day 0.390 hours/ns 3.562 steps/s 2024-05-08 14:02:51,389 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 149.84 -2000.1 16422 -18422 -18422 -0.00041907 -0.00080005 0.00060956 4.1167e+05 2024-05-08 14:03:07,510 INFO [main.py:798]
{rank 0/64} MD step = 253500 step time: 00:00:00.160329 Performance: 61.561 ns/day 0.390 hours/ns 3.563 steps/s 2024-05-08 14:03:13,153 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 151.32 -1895.9 16585 -18481 -18481 -0.00049527 -0.00085719 0.00076195 4.1182e+05 2024-05-08 14:03:28,926 INFO [main.py:798]
{rank 0/64} MD step = 253600 step time: 00:00:00.158108 Performance: 61.567 ns/day 0.390 hours/ns 3.563 steps/s 2024-05-08 14:03:34,626 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 148.02 -2279.3 16223 -18502 -18502 -0.00011429 -0.00053336 0.00026668 4.1199e+05 2024-05-08 14:03:50,343 INFO [main.py:798]
{rank 0/64} MD step = 253700 step time: 00:00:00.158360 Performance: 61.573 ns/day 0.390 hours/ns 3.563 steps/s 2024-05-08 14:03:57,489 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 149.57 -1919.5 16393 -18313 -18313 -0.00060956 -0.00076195 0.00062861 4.1215e+05 2024-05-08 14:04:13,080 INFO [main.py:798]
{rank 0/64} MD step = 253800 step time: 00:00:00.154896 Performance: 61.577 ns/day 0.390 hours/ns 3.563 steps/s 2024-05-08 14:04:21,090 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 149.71 -1866.5 16408 -18275 -18275 -0.00022858 -0.00064766 0.00071433 4.1233e+05 2024-05-08 14:04:36,456 INFO [main.py:798]
{rank 0/64} MD step = 253900 step time: 00:00:00.153777 Performance: 61.581 ns/day 0.390 hours/ns 3.564 steps/s 2024-05-08 14:04:40,955 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 150.16 -1842.9 16458 -18301 -18301 -0.00071433 -0.00046907 0.00060956 4.1245e+05 2024-05-08 14:04:57,746 INFO [main.py:798]
{rank 0/64} MD step = 254000 step time: 00:00:00.150226 Performance: 61.587 ns/day 0.390 hours/ns 3.564 steps/s 2024-05-08 14:05:04,131 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 150.35 -1873 16479 -18352 -18352 -0.0004286 -0.0007429 0.0007048 4.1263e+05 2024-05-08 14:05:20,581 INFO [main.py:798]
{rank 0/64} MD step = 254100 step time: 00:00:00.152648 Performance: 61.592 ns/day 0.390 hours/ns 3.564 steps/s 2024-05-08 14:05:25,460 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 150.96 -1837.3 16546 -18383 -18383 -0.00045717 -0.00080005 0.00060003 4.128e+05 2024-05-08 14:05:44,373 INFO [main.py:798]
{rank 0/64} MD step = 254200 step time: 00:00:00.157481 Performance: 61.595 ns/day 0.390 hours/ns 3.565 steps/s 2024-05-08 14:05:51,897 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 147.29 -2401.5 16143 -18545 -18545 -0.00068575 -0.00099053 0.00045717 4.1294e+05 2024-05-08 14:06:08,737 INFO [main.py:798]
{rank 0/64} MD step = 254300 step time: 00:00:00.157907 Performance: 61.599 ns/day 0.390 hours/ns 3.565 steps/s 2024-05-08 14:06:15,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254300 50860 150.25 -1769.2 16468 -18237 -18237 -0.0010382 -0.00038097 0.00082862 4.1311e+05 2024-05-08 14:06:30,828 INFO [main.py:798]
{rank 0/64} MD step = 254400 step time: 00:00:00.150987 Performance: 61.604 ns/day 0.390 hours/ns 3.565 steps/s 2024-05-08 14:06:37,345 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 150.17 -1961.4 16459 -18420 -18420 -0.0010286 -0.00061432 0.00064766 4.1329e+05 2024-05-08 14:06:53,678 INFO [main.py:798]
{rank 0/64} MD step = 254500 step time: 00:00:00.151077 Performance: 61.608 ns/day 0.390 hours/ns 3.565 steps/s 2024-05-08 14:06:59,010 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 150.58 -1762.2 16504 -18266 -18266 -0.00071433 -0.00095243 0.00041907 4.1343e+05 2024-05-08 14:07:14,942 INFO [main.py:798]
{rank 0/64} MD step = 254600 step time: 00:00:00.152870 Performance: 61.614 ns/day 0.390 hours/ns 3.566 steps/s 2024-05-08 14:07:26,244 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 150.14 -1741.5 16456 -18198 -18198 -0.00095243 -0.00097148 0.00028097 4.1365e+05 2024-05-08 14:07:42,673 INFO [main.py:798]
{rank 0/64} MD step = 254700 step time: 00:00:00.154905 Performance: 61.614 ns/day 0.390 hours/ns 3.566 steps/s 2024-05-08 14:07:47,788 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 151.28 -1838.1 16581 -18419 -18419 -0.00099053 -0.00026668 0.00045717 4.1379e+05 2024-05-08 14:08:03,019 INFO [main.py:798]
{rank 0/64} MD step = 254800 step time: 00:00:00.147619 Performance: 61.621 ns/day 0.389 hours/ns 3.566 steps/s 2024-05-08 14:08:12,634 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 148.83 -2054 16312 -18366 -18366 -0.00055241 -0.00047622 0.00057146 4.1392e+05 2024-05-08 14:08:27,420 INFO [main.py:798]
{rank 0/64} MD step = 254900 step time: 00:00:00.147499 Performance: 61.624 ns/day 0.389 hours/ns 3.566 steps/s 2024-05-08 14:08:33,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254900 50980 149.3 -2197.7 16364 -18561 -18561 -0.00057146 -0.00055241 0.00053336 4.1407e+05 2024-05-08 14:08:49,155 INFO [main.py:798]
{rank 0/64} MD step = 255000 step time: 00:00:00.155538 Performance: 61.630 ns/day 0.389 hours/ns 3.567 steps/s 2024-05-08 14:08:53,106 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 151.16 -1746.6 16567 -18314 -18314 -0.00064766 -0.00048574 0.00043812 4.1425e+05 2024-05-08 14:09:10,738 INFO [main.py:798]
{rank 0/64} MD step = 255100 step time: 00:00:00.139080 Performance: 61.635 ns/day 0.389 hours/ns 3.567 steps/s 2024-05-08 14:09:16,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255100 51020 149.06 -2050 16338 -18388 -18388 -0.00053336 -0.0007048 0.00045717 4.1441e+05 2024-05-08 14:09:32,220 INFO [main.py:798]
{rank 0/64} MD step = 255200 step time: 00:00:00.146922 Performance: 61.641 ns/day 0.389 hours/ns 3.567 steps/s 2024-05-08 14:09:40,367 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 150.52 -1991.1 16497 -18488 -18488 -0.00055241 -0.00049527 0.00080005 4.1458e+05 2024-05-08 14:09:57,724 INFO [main.py:798]
{rank 0/64} MD step = 255300 step time: 00:00:00.151888 Performance: 61.643 ns/day 0.389 hours/ns 3.567 steps/s 2024-05-08 14:10:03,657 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 150 -2483.3 16441 -18924 -18924 -0.00081909 -0.00053336 0.00081909 4.1468e+05 2024-05-08 14:10:19,481 INFO [main.py:798]
{rank 0/64} MD step = 255400 step time: 00:00:00.149067 Performance: 61.648 ns/day 0.389 hours/ns 3.568 steps/s 2024-05-08 14:10:24,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255400 51080 148.74 -2216.9 16302 -18519 -18519 -0.00049527 -0.00047622 0.00060956 4.1488e+05 2024-05-08 14:10:40,957 INFO [main.py:798]
{rank 0/64} MD step = 255500 step time: 00:00:00.160210 Performance: 61.654 ns/day 0.389 hours/ns 3.568 steps/s 2024-05-08 14:10:45,562 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 149.9 -2203.6 16430 -18633 -18633 -0.00048574 -0.00091434 0.00049527 4.1507e+05 2024-05-08 14:11:02,660 INFO [main.py:798]
{rank 0/64} MD step = 255600 step time: 00:00:00.156484 Performance: 61.659 ns/day 0.389 hours/ns 3.568 steps/s 2024-05-08 14:11:11,634 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 151.33 -2033.6 16586 -18619 -18619 -0.00068575 -0.00083814 0.00036193 4.1524e+05 2024-05-08 14:11:27,413 INFO [main.py:798]
{rank 0/64} MD step = 255700 step time: 00:00:00.145992 Performance: 61.662 ns/day 0.389 hours/ns 3.568 steps/s 2024-05-08 14:11:33,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255700 51140 150.73 -2178.6 16520 -18698 -18698 -0.00044764 -0.00076195 0.00053336 4.1542e+05 2024-05-08 14:11:50,735 INFO [main.py:798]
{rank 0/64} MD step = 255800 step time: 00:00:00.154982 Performance: 61.666 ns/day 0.389 hours/ns 3.569 steps/s 2024-05-08 14:11:55,240 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 149.89 -1996.3 16428 -18424 -18424 -0.0007048 -0.00097148 0.0003524 4.1564e+05 2024-05-08 14:12:12,891 INFO [main.py:798]
{rank 0/64} MD step = 255900 step time: 00:00:00.157626 Performance: 61.671 ns/day 0.389 hours/ns 3.569 steps/s 2024-05-08 14:12:19,455 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 151.39 -2014 16592 -18606 -18606 -1.9049e-05 -0.00040478 0.0007429 4.1575e+05 2024-05-08 14:12:35,323 INFO [main.py:798]
{rank 0/64} MD step = 256000 step time: 00:00:00.157752 Performance: 61.676 ns/day 0.389 hours/ns 3.569 steps/s 2024-05-08 14:12:40,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256000 51200 150.49 -1883.9 16494 -18378 -18378 -0.00051431 -0.00068575 0.00053336 4.1597e+05 2024-05-08 14:12:57,876 INFO [main.py:798]
{rank 0/64} MD step = 256100 step time: 00:00:00.164023 Performance: 61.681 ns/day 0.389 hours/ns 3.569 steps/s 2024-05-08 14:13:04,865 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 150.98 -1921.7 16547 -18469 -18469 -0.00043812 -0.0007048 0.00045717 4.1615e+05 2024-05-08 14:13:21,151 INFO [main.py:798]
{rank 0/64} MD step = 256200 step time: 00:00:00.167835 Performance: 61.685 ns/day 0.389 hours/ns 3.570 steps/s 2024-05-08 14:13:26,549 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 151.26 -1823.4 16578 -18401 -18401 -0.00080005 -0.00068575 0.00043812 4.163e+05 2024-05-08 14:13:42,722 INFO [main.py:798]
{rank 0/64} MD step = 256300 step time: 00:00:00.162895 Performance: 61.690 ns/day 0.389 hours/ns 3.570 steps/s 2024-05-08 14:13:50,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256300 51260 150.09 -1942.3 16450 -18392 -18392 -0.00044764 -0.00045717 0.00045717 4.1646e+05 2024-05-08 14:14:06,043 INFO [main.py:798]
{rank 0/64} MD step = 256400 step time: 00:00:00.155348 Performance: 61.694 ns/day 0.389 hours/ns 3.570 steps/s 2024-05-08 14:14:11,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256400 51280 149.4 -2019.3 16374 -18393 -18393 -0.00072385 -0.00087624 0.00053336 4.1663e+05 2024-05-08 14:14:27,885 INFO [main.py:798]
{rank 0/64} MD step = 256500 step time: 00:00:00.162199 Performance: 61.700 ns/day 0.389 hours/ns 3.571 steps/s 2024-05-08 14:14:35,046 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 150.05 -2013.1 16446 -18459 -18459 -0.00038097 -0.00053336 0.00057146 4.1679e+05 2024-05-08 14:14:50,037 INFO [main.py:798]
{rank 0/64} MD step = 256600 step time: 00:00:00.158566 Performance: 61.705 ns/day 0.389 hours/ns 3.571 steps/s 2024-05-08 14:14:59,095 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 149.98 -2144.4 16438 -18582 -18582 -0.00065718 -0.00059051 0.00045717 4.1694e+05 2024-05-08 14:15:14,735 INFO [main.py:798]
{rank 0/64} MD step = 256700 step time: 00:00:00.160222 Performance: 61.708 ns/day 0.389 hours/ns 3.571 steps/s 2024-05-08 14:15:21,391 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 149.82 -1973.1 16420 -18393 -18393 -0.00071671 -0.00024763 0.00045717 4.171e+05 2024-05-08 14:15:40,106 INFO [main.py:798]
{rank 0/64} MD step = 256800 step time: 00:00:00.155327 Performance: 61.710 ns/day 0.389 hours/ns 3.571 steps/s 2024-05-08 14:15:47,646 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 149.42 -2098.6 16377 -18475 -18475 -0.00083814 -0.00097625 0.00053336 4.1725e+05 2024-05-08 14:16:03,650 INFO [main.py:798]
{rank 0/64} MD step = 256900 step time: 00:00:01.044033 Performance: 61.714 ns/day 0.389 hours/ns 3.571 steps/s 2024-05-08 14:16:17,555 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 149.34 -1877 16367 -18244 -18244 -0.0006667 -0.00059051 0.00081909 4.1743e+05 2024-05-08 14:16:32,739 INFO [main.py:798]
{rank 0/64} MD step = 257000 step time: 00:00:00.142656 Performance: 61.713 ns/day 0.389 hours/ns 3.571 steps/s 2024-05-08 14:16:40,002 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 149.99 -2009.3 16439 -18448 -18448 -0.00072385 -0.00041907 0.00045717 4.1757e+05 2024-05-08 14:16:56,463 INFO [main.py:798]
{rank 0/64} MD step = 257100 step time: 00:00:00.134414 Performance: 61.716 ns/day 0.389 hours/ns 3.572 steps/s 2024-05-08 14:17:03,698 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 146.41 -2327 16047 -18374 -18374 -0.00064766 -0.00055241 0.00043812 4.1777e+05 2024-05-08 14:17:18,529 INFO [main.py:798]
{rank 0/64} MD step = 257200 step time: 00:00:00.141789 Performance: 61.721 ns/day 0.389 hours/ns 3.572 steps/s 2024-05-08 14:17:26,858 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 149.72 -1955.1 16410 -18365 -18365 -0.00083814 -0.00053336 0.00091434 4.1794e+05 2024-05-08 14:17:43,527 INFO [main.py:798]
{rank 0/64} MD step = 257300 step time: 00:00:00.161665 Performance: 61.724 ns/day 0.389 hours/ns 3.572 steps/s 2024-05-08 14:17:48,736 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 149.45 -2154.2 16380 -18534 -18534 -0.00064766 -0.0007048 0.00052384 4.1806e+05 2024-05-08 14:18:04,780 INFO [main.py:798]
{rank 0/64} MD step = 257400 step time: 00:00:00.157689 Performance: 61.730 ns/day 0.389 hours/ns 3.572 steps/s 2024-05-08 14:18:12,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257400 51480 148.76 -1936.3 16304 -18241 -18241 -0.00096196 -0.00060956 0.00068575 4.1828e+05 2024-05-08 14:18:28,018 INFO [main.py:798]
{rank 0/64} MD step = 257500 step time: 00:00:00.161089 Performance: 61.734 ns/day 0.389 hours/ns 3.573 steps/s 2024-05-08 14:18:36,279 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 147.75 -2112.4 16193 -18306 -18306 -0.00040955 -0.00049527 0.00030478 4.1841e+05 2024-05-08 14:18:52,340 INFO [main.py:798]
{rank 0/64} MD step = 257600 step time: 00:00:00.147554 Performance: 61.737 ns/day 0.389 hours/ns 3.573 steps/s 2024-05-08 14:18:57,945 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 151.62 -1775.7 16618 -18393 -18393 -0.00060956 -0.00071909 0.0007048 4.1856e+05 2024-05-08 14:19:14,470 INFO [main.py:798]
{rank 0/64} MD step = 257700 step time: 00:00:00.146227 Performance: 61.742 ns/day 0.389 hours/ns 3.573 steps/s 2024-05-08 14:19:18,439 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 149.95 -1956.1 16435 -18391 -18391 -0.00083814 -0.00087624 0.00049527 4.1873e+05 2024-05-08 14:19:36,240 INFO [main.py:798]
{rank 0/64} MD step = 257800 step time: 00:00:00.187446 Performance: 61.747 ns/day 0.389 hours/ns 3.573 steps/s 2024-05-08 14:19:42,258 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 150.41 -1842.2 16486 -18328 -18328 -0.000781 -0.00052384 0.000781 4.1891e+05 2024-05-08 14:19:58,596 INFO [main.py:798]
{rank 0/64} MD step = 257900 step time: 00:00:00.169314 Performance: 61.752 ns/day 0.389 hours/ns 3.574 steps/s 2024-05-08 14:20:04,665 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 149.11 -1886.8 16343 -18230 -18230 -0.0007048 -0.00040002 0.00049527 4.1908e+05 2024-05-08 14:20:20,310 INFO [main.py:798]
{rank 0/64} MD step = 258000 step time: 00:00:00.165998 Performance: 61.758 ns/day 0.389 hours/ns 3.574 steps/s 2024-05-08 14:20:26,126 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 151.31 -1576.1 16584 -18160 -18160 -0.00087624 -0.00038097 0.00076195 4.192e+05 2024-05-08 14:20:43,135 INFO [main.py:798]
{rank 0/64} MD step = 258100 step time: 00:00:00.156778 Performance: 61.762 ns/day 0.389 hours/ns 3.574 steps/s 2024-05-08 14:20:49,561 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 151.65 -1636.5 16621 -18258 -18258 -0.0010286 -0.000781 0.00073337 4.1937e+05 2024-05-08 14:21:05,646 INFO [main.py:798]
{rank 0/64} MD step = 258200 step time: 00:00:00.165649 Performance: 61.767 ns/day 0.389 hours/ns 3.574 steps/s 2024-05-08 14:21:12,342 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 148.64 -2172.4 16292 -18464 -18464 -0.0007048 -0.00076195 0.00086672 4.1947e+05 2024-05-08 14:21:27,847 INFO [main.py:798]
{rank 0/64} MD step = 258300 step time: 00:00:00.151769 Performance: 61.772 ns/day 0.389 hours/ns 3.575 steps/s 2024-05-08 14:21:31,240 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 148.94 -2194.1 16324 -18518 -18518 -3.8097e-05 -0.00068575 0.00068575 4.1955e+05 2024-05-08 14:21:50,108 INFO [main.py:798]
{rank 0/64} MD step = 258400 step time: 00:00:00.163728 Performance: 61.776 ns/day 0.388 hours/ns 3.575 steps/s 2024-05-08 14:21:55,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258400 51680 151.26 -1997.7 16579 -18576 -18576 -0.00052384 -0.00083814 0.00045717 4.1972e+05 2024-05-08 14:22:11,445 INFO [main.py:798]
{rank 0/64} MD step = 258500 step time: 00:00:00.166253 Performance: 61.782 ns/day 0.388 hours/ns 3.575 steps/s 2024-05-08 14:22:18,619 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 152.76 -1761.9 16742 -18504 -18504 -0.00047622 -0.00034288 0.00062861 4.1991e+05 2024-05-08 14:22:33,624 INFO [main.py:798]
{rank 0/64} MD step = 258600 step time: 00:00:00.155824 Performance: 61.787 ns/day 0.388 hours/ns 3.576 steps/s 2024-05-08 14:22:38,214 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 150.36 -2011 16480 -18491 -18491 -0.00045717 -0.00055241 0.00068575 4.2006e+05 2024-05-08 14:22:56,773 INFO [main.py:798]
{rank 0/64} MD step = 258700 step time: 00:00:00.157895 Performance: 61.791 ns/day 0.388 hours/ns 3.576 steps/s 2024-05-08 14:23:03,693 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 149.63 -1891.5 16400 -18292 -18292 -0.00049527 -0.00040002 0.00076195 4.2022e+05 2024-05-08 14:23:19,344 INFO [main.py:798]
{rank 0/64} MD step = 258800 step time: 00:00:00.152363 Performance: 61.796 ns/day 0.388 hours/ns 3.576 steps/s 2024-05-08 14:23:25,996 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 147.88 -2012.6 16207 -18220 -18220 -0.00097148 -0.00072385 0.00047146 4.2038e+05 2024-05-08 14:23:41,982 INFO [main.py:798]
{rank 0/64} MD step = 258900 step time: 00:00:00.159059 Performance: 61.800 ns/day 0.388 hours/ns 3.576 steps/s 2024-05-08 14:23:50,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258900 51780 148.01 -2122.3 16222 -18344 -18344 -0.00051908 -0.00045717 0.00015239 4.2052e+05 2024-05-08 14:24:04,947 INFO [main.py:798]
{rank 0/64} MD step = 259000 step time: 00:00:00.152071 Performance: 61.805 ns/day 0.388 hours/ns 3.577 steps/s 2024-05-08 14:24:11,044 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 150.6 -1698.4 16506 -18205 -18205 -0.00068575 -0.00087624 0.00055241 4.2069e+05 2024-05-08 14:24:27,539 INFO [main.py:798]
{rank 0/64} MD step = 259100 step time: 00:00:00.149684 Performance: 61.809 ns/day 0.388 hours/ns 3.577 steps/s 2024-05-08 14:24:32,415 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 153.26 -1480.7 16797 -18278 -18278 -0.000781 -0.00041907 0.00080005 4.208e+05 2024-05-08 14:24:48,714 INFO [main.py:798]
{rank 0/64} MD step = 259200 step time: 00:00:00.161321 Performance: 61.815 ns/day 0.388 hours/ns 3.577 steps/s 2024-05-08 14:24:53,984 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 150.33 -1941.3 16476 -18417 -18417 -0.00032383 -0.00057146 0.00095243 4.2096e+05 2024-05-08 14:25:09,838 INFO [main.py:798]
{rank 0/64} MD step = 259300 step time: 00:00:00.172205 Performance: 61.821 ns/day 0.388 hours/ns 3.578 steps/s 2024-05-08 14:25:12,761 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 150.34 -1715.9 16477 -18193 -18193 -0.00097148 -0.00034288 0.00038097 4.2118e+05 2024-05-08 14:25:30,424 INFO [main.py:798]
{rank 0/64} MD step = 259400 step time: 00:00:00.160308 Performance: 61.827 ns/day 0.388 hours/ns 3.578 steps/s 2024-05-08 14:25:35,857 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 150.63 -1676.8 16509 -18186 -18186 -0.00080005 -0.00053336 0.00095243 4.2132e+05 2024-05-08 14:25:51,826 INFO [main.py:798]
{rank 0/64} MD step = 259500 step time: 00:00:00.155819 Performance: 61.833 ns/day 0.388 hours/ns 3.578 steps/s 2024-05-08 14:25:56,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259500 51900 149.71 -1706.1 16409 -18115 -18115 -0.00055241 -0.00049527 0.00040955 4.215e+05 2024-05-08 14:26:14,310 INFO [main.py:798]
{rank 0/64} MD step = 259600 step time: 00:00:00.166347 Performance: 61.837 ns/day 0.388 hours/ns 3.579 steps/s 2024-05-08 14:26:19,435 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 148.64 -2002.8 16292 -18294 -18294 -0.00053336 -0.00045717 0.00030478 4.2163e+05 2024-05-08 14:26:35,190 INFO [main.py:798]
{rank 0/64} MD step = 259700 step time: 00:00:00.165530 Performance: 61.843 ns/day 0.388 hours/ns 3.579 steps/s 2024-05-08 14:26:39,954 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 152.07 -1724.2 16667 -18391 -18391 -0.00089529 -0.00080957 0.00060956 4.2177e+05 2024-05-08 14:26:56,963 INFO [main.py:798]
{rank 0/64} MD step = 259800 step time: 00:00:00.161255 Performance: 61.849 ns/day 0.388 hours/ns 3.579 steps/s 2024-05-08 14:27:01,999 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 148.1 -2323.4 16232 -18555 -18555 -0.00091434 -0.00051431 0.00095243 4.2192e+05 2024-05-08 14:27:17,648 INFO [main.py:798]
{rank 0/64} MD step = 259900 step time: 00:00:00.160528 Performance: 61.855 ns/day 0.388 hours/ns 3.580 steps/s 2024-05-08 14:27:24,119 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 148.59 -2229.3 16286 -18515 -18515 -0.00053336 -0.00043812 0.00060956 4.221e+05 2024-05-08 14:27:39,490 INFO [main.py:798]
{rank 0/64} MD step = 260000 step time: 00:00:00.159050 Performance: 61.860 ns/day 0.388 hours/ns 3.580 steps/s 2024-05-08 14:27:45,109 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 151.9 -1620.9 16648 -18269 -18269 -0.00049527 -0.00060956 0.00060956 4.2228e+05 2024-05-08 14:28:01,392 INFO [main.py:798]
{rank 0/64} MD step = 260100 step time: 00:00:00.173715 Performance: 61.865 ns/day 0.388 hours/ns 3.580 steps/s 2024-05-08 14:28:06,288 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 152.34 -1586.6 16697 -18283 -18283 -0.00038097 -0.00028573 0.00045717 4.2246e+05 2024-05-08 14:28:21,790 INFO [main.py:798]
{rank 0/64} MD step = 260200 step time: 00:00:00.169882 Performance: 61.872 ns/day 0.388 hours/ns 3.581 steps/s 2024-05-08 14:28:26,471 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 148.68 -1835.6 16295 -18131 -18131 -0.00055241 -0.00076195 0.00083814 4.2263e+05 2024-05-08 14:28:42,266 INFO [main.py:798]
{rank 0/64} MD step = 260300 step time: 00:00:00.156765 Performance: 61.878 ns/day 0.388 hours/ns 3.581 steps/s 2024-05-08 14:28:47,261 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 147.13 -2371.3 16126 -18497 -18497 -0.00045717 -0.00041907 0.00022858 4.2279e+05 2024-05-08 14:29:03,438 INFO [main.py:798]
{rank 0/64} MD step = 260400 step time: 00:00:00.155656 Performance: 61.884 ns/day 0.388 hours/ns 3.581 steps/s 2024-05-08 14:29:09,190 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 147.16 -2221.6 16128 -18350 -18350 -0.00083814 -0.00030478 0.00083814 4.2298e+05 2024-05-08 14:29:25,359 INFO [main.py:798]
{rank 0/64} MD step = 260500 step time: 00:00:00.155360 Performance: 61.889 ns/day 0.388 hours/ns 3.582 steps/s 2024-05-08 14:29:32,166 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 150.1 -2057 16451 -18508 -18508 -0.00038097 -0.00060956 0.00029525 4.2314e+05 2024-05-08 14:29:47,637 INFO [main.py:798]
{rank 0/64} MD step = 260600 step time: 00:00:00.150134 Performance: 61.894 ns/day 0.388 hours/ns 3.582 steps/s 2024-05-08 14:29:55,031 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 150.43 -2082.2 16487 -18569 -18569 -0.00063813 -0.00053336 0.00034288 4.2325e+05 2024-05-08 14:30:10,638 INFO [main.py:798]
{rank 0/64} MD step = 260700 step time: 00:00:00.167151 Performance: 61.898 ns/day 0.388 hours/ns 3.582 steps/s 2024-05-08 14:30:16,543 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 150.69 -1971.8 16516 -18488 -18488 -0.00053336 -0.00062861 0.00038097 4.2341e+05 2024-05-08 14:30:32,455 INFO [main.py:798]
{rank 0/64} MD step = 260800 step time: 00:00:00.152584 Performance: 61.903 ns/day 0.388 hours/ns 3.582 steps/s 2024-05-08 14:30:37,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260800 52160 149.55 -2068.4 16391 -18460 -18460 -0.0006667 -0.0010286 0.00054289 4.2358e+05 2024-05-08 14:30:53,577 INFO [main.py:798]
{rank 0/64} MD step = 260900 step time: 00:00:00.147151 Performance: 61.909 ns/day 0.388 hours/ns 3.583 steps/s 2024-05-08 14:30:59,560 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 150.66 -1909.1 16512 -18421 -18421 -0.00060956 -0.00030478 0.00045717 4.2377e+05 2024-05-08 14:31:16,600 INFO [main.py:798]
{rank 0/64} MD step = 261000 step time: 00:00:00.157851 Performance: 61.913 ns/day 0.388 hours/ns 3.583 steps/s 2024-05-08 14:31:22,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261000 52200 149.52 -2097.1 16388 -18485 -18485 -0.00049527 -0.00060956 0.00080005 4.2392e+05 2024-05-08 14:31:38,294 INFO [main.py:798]
{rank 0/64} MD step = 261100 step time: 00:00:00.150872 Performance: 61.918 ns/day 0.388 hours/ns 3.583 steps/s 2024-05-08 14:31:46,882 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 148.46 -2334.1 16272 -18606 -18606 -0.00015239 -0.00072385 0.00057146 4.2407e+05 2024-05-08 14:32:02,410 INFO [main.py:798]
{rank 0/64} MD step = 261200 step time: 00:00:00.146066 Performance: 61.921 ns/day 0.388 hours/ns 3.583 steps/s 2024-05-08 14:32:12,309 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 149.66 -2050.1 16403 -18453 -18453 -0.00036193 -0.00026668 0.00058099 4.2427e+05 2024-05-08 14:32:28,372 INFO [main.py:798]
{rank 0/64} MD step = 261300 step time: 00:00:00.150644 Performance: 61.923 ns/day 0.388 hours/ns 3.584 steps/s 2024-05-08 14:32:33,486 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 149.42 -2203 16377 -18580 -18580 -0.00080005 -0.00064766 0.00030478 4.244e+05 2024-05-08 14:32:49,681 INFO [main.py:798]
{rank 0/64} MD step = 261400 step time: 00:00:00.154650 Performance: 61.929 ns/day 0.388 hours/ns 3.584 steps/s 2024-05-08 14:33:02,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261400 52280 152.33 -1799.8 16696 -18496 -18496 -0.00054289 -0.00019049 0.00038097 4.2458e+05 2024-05-08 14:33:18,542 INFO [main.py:798]
{rank 0/64} MD step = 261500 step time: 00:00:00.144725 Performance: 61.928 ns/day 0.388 hours/ns 3.584 steps/s 2024-05-08 14:33:22,355 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 151.3 -1832.3 16582 -18415 -18415 -0.00095243 -0.00093339 0.00081909 4.2472e+05 2024-05-08 14:33:39,840 INFO [main.py:798]
{rank 0/64} MD step = 261600 step time: 00:00:00.141219 Performance: 61.933 ns/day 0.388 hours/ns 3.584 steps/s 2024-05-08 14:33:44,627 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 150.55 -1726.6 16501 -18227 -18227 -0.00080005 -0.00085719 0.00051431 4.2491e+05 2024-05-08 14:34:00,683 INFO [main.py:798]
{rank 0/64} MD step = 261700 step time: 00:00:00.160860 Performance: 61.939 ns/day 0.387 hours/ns 3.584 steps/s 2024-05-08 14:34:05,050 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 148.32 -2212 16256 -18468 -18468 -0.00087624 -0.00060956 0.00038097 4.25e+05 2024-05-08 14:34:22,311 INFO [main.py:798]
{rank 0/64} MD step = 261800 step time: 00:00:00.160764 Performance: 61.945 ns/day 0.387 hours/ns 3.585 steps/s 2024-05-08 14:34:28,483 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 146.67 -2411.4 16075 -18486 -18486 -0.0010001 -0.00045717 0.00060956 4.2519e+05 2024-05-08 14:34:44,192 INFO [main.py:798]
{rank 0/64} MD step = 261900 step time: 00:00:00.156606 Performance: 61.950 ns/day 0.387 hours/ns 3.585 steps/s 2024-05-08 14:34:49,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261900 52380 149.78 -2190.7 16416 -18606 -18606 -0.00028573 -0.00080005 0.00064766 4.2531e+05 2024-05-08 14:35:05,425 INFO [main.py:798]
{rank 0/64} MD step = 262000 step time: 00:00:00.154782 Performance: 61.955 ns/day 0.387 hours/ns 3.585 steps/s 2024-05-08 14:35:15,488 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 149.34 -2036 16368 -18404 -18404 -0.00060956 -0.00076195 0.00045717 4.2548e+05 2024-05-08 14:35:35,216 INFO [main.py:798]
{rank 0/64} MD step = 262100 step time: 00:00:00.154631 Performance: 61.954 ns/day 0.387 hours/ns 3.585 steps/s 2024-05-08 14:35:42,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262100 52420 150.19 -1874 16461 -18335 -18335 -0.00060956 -0.00044288 0.00091434 4.2568e+05 2024-05-08 14:35:57,255 INFO [main.py:798]
{rank 0/64} MD step = 262200 step time: 00:00:00.149218 Performance: 61.959 ns/day 0.387 hours/ns 3.586 steps/s 2024-05-08 14:36:02,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262200 52440 150.89 -1891.3 16537 -18429 -18429 -0.00044764 -0.00058575 0.00047622 4.258e+05 2024-05-08 14:36:19,148 INFO [main.py:798]
{rank 0/64} MD step = 262300 step time: 00:00:00.156926 Performance: 61.964 ns/day 0.387 hours/ns 3.586 steps/s 2024-05-08 14:36:25,632 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 151.3 -1668 16583 -18251 -18251 -0.00087624 -0.00083814 0.00081909 4.2595e+05 2024-05-08 14:36:41,947 INFO [main.py:798]
{rank 0/64} MD step = 262400 step time: 00:00:00.157367 Performance: 61.968 ns/day 0.387 hours/ns 3.586 steps/s 2024-05-08 14:36:49,052 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 149.37 -1960.9 16372 -18333 -18333 -0.00083814 -0.00045717 0.00089529 4.2612e+05 2024-05-08 14:37:05,756 INFO [main.py:798]
{rank 0/64} MD step = 262500 step time: 00:00:00.153782 Performance: 61.972 ns/day 0.387 hours/ns 3.586 steps/s 2024-05-08 14:37:15,853 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 147.78 -2067.7 16197 -18265 -18265 -0.00072385 -0.00060956 0.00057146 4.2627e+05 2024-05-08 14:37:31,767 INFO [main.py:798]
{rank 0/64} MD step = 262600 step time: 00:00:00.141386 Performance: 61.973 ns/day 0.387 hours/ns 3.586 steps/s 2024-05-08 14:37:40,270 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 152.28 -1318.1 16690 -18008 -18008 -0.00076195 -0.00060956 0.00057146 4.2647e+05 2024-05-08 14:37:56,929 INFO [main.py:798]
{rank 0/64} MD step = 262700 step time: 00:00:00.153148 Performance: 61.975 ns/day 0.387 hours/ns 3.587 steps/s 2024-05-08 14:38:02,659 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 150.17 -1855.2 16459 -18314 -18314 -0.00068575 -0.0007429 0.00064766 4.2661e+05 2024-05-08 14:38:18,560 INFO [main.py:798]
{rank 0/64} MD step = 262800 step time: 00:00:00.159881 Performance: 61.981 ns/day 0.387 hours/ns 3.587 steps/s 2024-05-08 14:38:26,332 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 148.98 -2124.2 16328 -18452 -18452 -0.00032383 -0.00081909 0.00041907 4.268e+05 2024-05-08 14:38:42,133 INFO [main.py:798]
{rank 0/64} MD step = 262900 step time: 00:00:00.159961 Performance: 61.984 ns/day 0.387 hours/ns 3.587 steps/s 2024-05-08 14:38:51,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262900 52580 149.89 -2017.9 16428 -18445 -18445 -0.00030478 -0.00076195 0.0004286 4.2693e+05 2024-05-08 14:39:06,921 INFO [main.py:798]
{rank 0/64} MD step = 263000 step time: 00:00:00.161796 Performance: 61.987 ns/day 0.387 hours/ns 3.587 steps/s 2024-05-08 14:39:12,912 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 149.07 -2243.7 16338 -18582 -18582 -0.00030478 -0.0006048 0.00022858 4.2716e+05 2024-05-08 14:39:28,892 INFO [main.py:798]
{rank 0/64} MD step = 263100 step time: 00:00:00.149971 Performance: 61.992 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:39:35,194 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 148.78 -2196.2 16307 -18503 -18503 -0.00045717 -0.00067623 0.00045717 4.2732e+05 2024-05-08 14:39:50,794 INFO [main.py:798]
{rank 0/64} MD step = 263200 step time: 00:00:00.152333 Performance: 61.997 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:39:59,466 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 147.39 -2239.4 16154 -18393 -18393 -0.00053336 -0.00049527 0.00083814 4.2746e+05 2024-05-08 14:40:15,606 INFO [main.py:798]
{rank 0/64} MD step = 263300 step time: 00:00:00.160336 Performance: 62.000 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:40:22,433 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 150.69 -1998.7 16515 -18514 -18514 -0.000781 -0.0007048 0.00068575 4.276e+05 2024-05-08 14:40:37,097 INFO [main.py:798]
{rank 0/64} MD step = 263400 step time: 00:00:00.156070 Performance: 62.005 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:40:43,393 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 150.09 -2090.4 16450 -18540 -18540 -0.00046669 -0.00061908 0.00087624 4.2775e+05 2024-05-08 14:40:58,899 INFO [main.py:798]
{rank 0/64} MD step = 263500 step time: 00:00:00.159701 Performance: 62.010 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:41:07,566 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 147.08 -2573.4 16120 -18694 -18694 -0.00083814 -0.00045717 0.00038097 4.2789e+05 2024-05-08 14:41:23,167 INFO [main.py:798]
{rank 0/64} MD step = 263600 step time: 00:00:00.158829 Performance: 62.013 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:41:30,527 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 151.15 -1874.5 16566 -18440 -18440 -0.00060956 -0.00051431 0.00057146 4.2808e+05 2024-05-08 14:41:45,937 INFO [main.py:798]
{rank 0/64} MD step = 263700 step time: 00:00:00.153917 Performance: 62.017 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:41:51,795 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 150.67 -1873.5 16514 -18387 -18387 -0.0007048 -0.00049527 0.00068575 4.282e+05 2024-05-08 14:42:07,595 INFO [main.py:798]
{rank 0/64} MD step = 263800 step time: 00:00:00.159078 Performance: 62.023 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:42:14,809 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 148.74 -2222.9 16303 -18525 -18525 -0.00062861 -0.00085719 0.00041907 4.2839e+05 2024-05-08 14:42:30,532 INFO [main.py:798]
{rank 0/64} MD step = 263900 step time: 00:00:00.162630 Performance: 62.027 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 14:42:36,205 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 150.23 -1888.7 16466 -18354 -18354 -0.00093339 -0.00053336 0.00056194 4.2859e+05 2024-05-08 14:42:55,901 INFO [main.py:798]
{rank 0/64} MD step = 264000 step time: 00:00:00.158804 Performance: 62.029 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 14:43:03,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264000 52800 150.02 -2107.6 16443 -18550 -18550 -0.00068575 -0.00028573 0.00076195 4.2874e+05 2024-05-08 14:43:19,579 INFO [main.py:798]
{rank 0/64} MD step = 264100 step time: 00:00:00.152833 Performance: 62.033 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 14:43:25,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264100 52820 149.79 -2035.7 16417 -18453 -18453 -0.00076195 -0.00057146 0.00045717 4.2886e+05 2024-05-08 14:43:40,942 INFO [main.py:798]
{rank 0/64} MD step = 264200 step time: 00:00:00.160246 Performance: 62.038 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 14:44:45,114 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 149.2 -1998.1 16352 -18350 -18350 -0.00053336 -0.00068575 0.00045717 4.29e+05 2024-05-08 14:45:01,332 INFO [main.py:798]
{rank 0/64} MD step = 264300 step time: 00:00:00.147734 Performance: 61.994 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:45:09,428 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 147.41 -2283.4 16157 -18440 -18440 -0.0007429 -0.00076195 0.00053336 4.2913e+05 2024-05-08 14:45:25,386 INFO [main.py:798]
{rank 0/64} MD step = 264400 step time: 00:00:00.143956 Performance: 61.997 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:45:32,312 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 151.23 -1787 16574 -18361 -18361 -0.00057146 -0.00057146 0.0004286 4.2927e+05 2024-05-08 14:45:48,378 INFO [main.py:798]
{rank 0/64} MD step = 264500 step time: 00:00:00.147748 Performance: 62.001 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:45:54,492 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 149.07 -2145 16339 -18484 -18484 -0.00036193 -0.00062861 0.00073337 4.2945e+05 2024-05-08 14:46:10,611 INFO [main.py:798]
{rank 0/64} MD step = 264600 step time: 00:00:00.156314 Performance: 62.006 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:46:35,246 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 151.21 -1954.4 16573 -18527 -18527 -0.0005667 -0.00072385 0.00083814 4.2962e+05 2024-05-08 14:46:50,941 INFO [main.py:798]
{rank 0/64} MD step = 264700 step time: 00:00:00.164014 Performance: 61.995 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:47:00,392 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 148.8 -2264.6 16309 -18573 -18573 -0.00053336 -0.00058575 0.00034288 4.2979e+05 2024-05-08 14:47:17,237 INFO [main.py:798]
{rank 0/64} MD step = 264800 step time: 00:00:00.150449 Performance: 61.997 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:47:25,190 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 149.88 -2152 16427 -18579 -18579 -0.00054289 -0.00076195 0.00043812 4.299e+05 2024-05-08 14:47:41,368 INFO [main.py:798]
{rank 0/64} MD step = 264900 step time: 00:00:00.136662 Performance: 62.000 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:47:47,546 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 150.43 -2264.4 16487 -18751 -18751 -0.00093339 -0.00053336 0.00064766 4.3011e+05 2024-05-08 14:48:03,506 INFO [main.py:798]
{rank 0/64} MD step = 265000 step time: 00:00:00.147483 Performance: 62.005 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:48:10,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265000 53000 147.82 -2312.9 16201 -18514 -18514 -0.00065718 -0.00038097 0.00041907 4.3026e+05 2024-05-08 14:48:26,229 INFO [main.py:798]
{rank 0/64} MD step = 265100 step time: 00:00:00.183556 Performance: 62.009 ns/day 0.387 hours/ns 3.588 steps/s 2024-05-08 14:48:37,704 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 150.34 -2108.5 16478 -18586 -18586 -0.00053336 -0.00049527 0.00029525 4.3041e+05 2024-05-08 14:48:52,827 INFO [main.py:798]
{rank 0/64} MD step = 265200 step time: 00:00:00.140571 Performance: 62.010 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:49:03,757 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 151.31 -1973.4 16584 -18557 -18557 -0.00055241 -0.00036193 0.00052384 4.3055e+05 2024-05-08 14:49:19,488 INFO [main.py:798]
{rank 0/64} MD step = 265300 step time: 00:00:00.143948 Performance: 62.011 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:49:26,321 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 150.96 -1995.3 16546 -18541 -18541 -0.00060956 -0.00041907 0.00062861 4.3072e+05 2024-05-08 14:49:42,621 INFO [main.py:798]
{rank 0/64} MD step = 265400 step time: 00:00:00.146073 Performance: 62.015 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:49:48,758 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 151.3 -2003.6 16583 -18586 -18586 -0.0007429 -0.0007429 0.00060956 4.3081e+05 2024-05-08 14:50:04,677 INFO [main.py:798]
{rank 0/64} MD step = 265500 step time: 00:00:00.158295 Performance: 62.020 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:50:14,570 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 150.65 -2184.7 16511 -18696 -18696 -0.00087624 -0.00038097 0.00060956 4.309e+05 2024-05-08 14:50:29,508 INFO [main.py:798]
{rank 0/64} MD step = 265600 step time: 00:00:00.155478 Performance: 62.022 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:50:37,345 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 151.83 -2083.6 16641 -18724 -18724 -0.00045717 -0.00076195 0.000881 4.3107e+05 2024-05-08 14:50:52,838 INFO [main.py:798]
{rank 0/64} MD step = 265700 step time: 00:00:00.158884 Performance: 62.026 ns/day 0.387 hours/ns 3.589 steps/s 2024-05-08 14:51:01,557 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 148.28 -2380.3 16251 -18632 -18632 -0.00047622 -0.0010286 0.00091434 4.3125e+05 2024-05-08 14:51:16,902 INFO [main.py:798]
{rank 0/64} MD step = 265800 step time: 00:00:00.165226 Performance: 62.029 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 14:51:22,525 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 150.98 -1836.6 16548 -18384 -18384 -0.00097148 -0.00038097 0.00054289 4.3142e+05 2024-05-08 14:51:37,824 INFO [main.py:798]
{rank 0/64} MD step = 265900 step time: 00:00:00.167172 Performance: 62.035 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 14:51:44,270 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 150.07 -1987.6 16448 -18435 -18435 -0.0010667 -0.00049527 0.00068575 4.3154e+05 2024-05-08 14:51:59,770 INFO [main.py:798]
{rank 0/64} MD step = 266000 step time: 00:00:00.142501 Performance: 62.040 ns/day 0.387 hours/ns 3.590 steps/s 2024-05-08 14:52:07,161 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 149.57 -1871.6 16394 -18265 -18265 -0.00045717 -0.00045717 0.00043812 4.3171e+05 2024-05-08 14:52:22,598 INFO [main.py:798]
{rank 0/64} MD step = 266100 step time: 00:00:00.140692 Performance: 62.044 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 14:52:27,708 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 150.92 -1867.4 16541 -18408 -18408 -0.00051431 -0.00091434 0.00087624 4.3186e+05 2024-05-08 14:52:45,829 INFO [main.py:798]
{rank 0/64} MD step = 266200 step time: 00:00:00.155672 Performance: 62.048 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 14:52:52,405 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 152.68 -1749.3 16733 -18483 -18483 -0.00081909 -0.00080005 0.00091434 4.3199e+05 2024-05-08 14:53:08,568 INFO [main.py:798]
{rank 0/64} MD step = 266300 step time: 00:00:00.146767 Performance: 62.052 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 14:53:17,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266300 53260 148.74 -2197.3 16302 -18499 -18499 -0.00082862 -0.00036193 0.00087624 4.3214e+05 2024-05-08 14:53:32,844 INFO [main.py:798]
{rank 0/64} MD step = 266400 step time: 00:00:00.156158 Performance: 62.055 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 14:53:37,968 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 151.16 -1753.2 16567 -18321 -18321 -0.00089529 -0.00072385 0.00020954 4.3233e+05 2024-05-08 14:53:55,580 INFO [main.py:798]
{rank 0/64} MD step = 266500 step time: 00:00:00.154453 Performance: 62.060 ns/day 0.387 hours/ns 3.591 steps/s 2024-05-08 14:54:02,273 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 149.76 -2085.2 16413 -18499 -18499 -0.00049527 -0.00040002 0.00049527 4.3249e+05 2024-05-08 14:54:17,860 INFO [main.py:798]
{rank 0/64} MD step = 266600 step time: 00:00:00.155375 Performance: 62.064 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:54:25,804 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 151.46 -1785.1 16600 -18385 -18385 -0.00046669 -0.00095243 0.00041907 4.3268e+05 2024-05-08 14:54:41,802 INFO [main.py:798]
{rank 0/64} MD step = 266700 step time: 00:00:00.145677 Performance: 62.068 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:54:49,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266700 53340 150.71 -1799.2 16518 -18317 -18317 -0.00091434 -0.00045717 0.00053336 4.3283e+05 2024-05-08 14:55:07,008 INFO [main.py:798]
{rank 0/64} MD step = 266800 step time: 00:00:00.140543 Performance: 62.070 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:55:18,898 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 149.46 -2129.4 16381 -18511 -18511 -0.00057146 -0.00068575 0.00053336 4.3301e+05 2024-05-08 14:55:34,427 INFO [main.py:798]
{rank 0/64} MD step = 266900 step time: 00:00:00.142573 Performance: 62.070 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:55:40,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266900 53380 150.3 -1969.7 16473 -18442 -18442 -0.0004286 -0.00063813 0.0007048 4.332e+05 2024-05-08 14:55:57,347 INFO [main.py:798]
{rank 0/64} MD step = 267000 step time: 00:00:00.151939 Performance: 62.074 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:56:04,791 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 149.29 -2032.9 16363 -18396 -18396 -0.00051431 -0.00028573 0.00076195 4.3336e+05 2024-05-08 14:56:20,192 INFO [main.py:798]
{rank 0/64} MD step = 267100 step time: 00:00:00.156372 Performance: 62.078 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 14:56:28,778 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 151.82 -1570 16640 -18210 -18210 -0.00072385 -0.00060956 0.00060956 4.3351e+05 2024-05-08 14:56:43,800 INFO [main.py:798]
{rank 0/64} MD step = 267200 step time: 00:00:00.159424 Performance: 62.082 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 14:57:17,418 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 150.05 -2186.9 16446 -18633 -18633 -0.00068575 -0.00068575 0.00036193 4.3366e+05 2024-05-08 14:57:34,336 INFO [main.py:798]
{rank 0/64} MD step = 267300 step time: 00:00:00.156749 Performance: 62.063 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:57:41,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267300 53460 149.8 -1888.8 16418 -18307 -18307 -0.0007429 -0.00060956 0.00058575 4.3383e+05 2024-05-08 14:57:58,033 INFO [main.py:798]
{rank 0/64} MD step = 267400 step time: 00:00:00.170291 Performance: 62.067 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:58:05,289 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 149.36 -1949.7 16371 -18320 -18320 -0.00091434 -0.00088576 0.0007048 4.3403e+05 2024-05-08 14:58:21,501 INFO [main.py:798]
{rank 0/64} MD step = 267500 step time: 00:00:00.156952 Performance: 62.070 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:58:28,098 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 151.01 -1975.8 16550 -18526 -18526 -0.00068575 -0.00033335 0.00068575 4.3421e+05 2024-05-08 14:58:43,759 INFO [main.py:798]
{rank 0/64} MD step = 267600 step time: 00:00:00.148853 Performance: 62.075 ns/day 0.387 hours/ns 3.592 steps/s 2024-05-08 14:58:50,759 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 151.27 -1872.9 16579 -18452 -18452 -0.00054289 -0.0007429 0.00072385 4.3438e+05 2024-05-08 14:59:06,878 INFO [main.py:798]
{rank 0/64} MD step = 267700 step time: 00:00:00.161182 Performance: 62.079 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 14:59:14,791 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 148.8 -1979.5 16308 -18288 -18288 -0.00083814 -0.00038097 0.00043812 4.3457e+05 2024-05-08 14:59:30,791 INFO [main.py:798]
{rank 0/64} MD step = 267800 step time: 00:00:00.154653 Performance: 62.082 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 14:59:40,089 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 150.03 -2011.4 16444 -18455 -18455 -0.00030478 -0.000781 0.00072385 4.3471e+05 2024-05-08 14:59:58,105 INFO [main.py:798]
{rank 0/64} MD step = 267900 step time: 00:00:00.150909 Performance: 62.082 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 15:00:08,218 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 147.57 -2148.2 16174 -18322 -18322 -0.00034288 -0.00091434 0.00039526 4.3487e+05 2024-05-08 15:00:23,489 INFO [main.py:798]
{rank 0/64} MD step = 268000 step time: 00:00:00.151967 Performance: 62.084 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 15:00:33,386 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 149.74 -2165.5 16412 -18578 -18578 -0.00072385 -0.00053336 0.00040002 4.3506e+05 2024-05-08 15:00:49,060 INFO [main.py:798]
{rank 0/64} MD step = 268100 step time: 00:00:00.158697 Performance: 62.086 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 15:01:10,136 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 149.91 -2096.7 16431 -18528 -18528 -0.00068575 -0.00057146 0.00080005 4.3521e+05 2024-05-08 15:01:25,646 INFO [main.py:798]
{rank 0/64} MD step = 268200 step time: 00:00:00.153023 Performance: 62.079 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 15:01:32,644 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 150.51 -2005.2 16496 -18502 -18502 -0.00049527 -0.00067623 0.00064766 4.3539e+05 2024-05-08 15:01:48,343 INFO [main.py:798]
{rank 0/64} MD step = 268300 step time: 00:00:00.156961 Performance: 62.083 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 15:01:54,667 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 150.52 -2091.4 16497 -18588 -18588 -0.0003143 -0.00087624 0.0007048 4.3557e+05 2024-05-08 15:02:10,379 INFO [main.py:798]
{rank 0/64} MD step = 268400 step time: 00:00:00.151659 Performance: 62.088 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 15:02:21,790 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 148.64 -2227.9 16292 -18519 -18519 -0.00080005 -0.00028573 0.00081909 4.3575e+05 2024-05-08 15:02:36,727 INFO [main.py:798]
{rank 0/64} MD step = 268500 step time: 00:00:00.151020 Performance: 62.089 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 15:02:43,126 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 149.68 -1720.7 16406 -18126 -18126 -0.00020954 -0.00060003 0.00053336 4.3592e+05 2024-05-08 15:02:58,627 INFO [main.py:798]
{rank 0/64} MD step = 268600 step time: 00:00:00.157218 Performance: 62.094 ns/day 0.387 hours/ns 3.593 steps/s 2024-05-08 15:03:03,590 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 149.2 -2000.2 16352 -18352 -18352 -0.00045717 -0.00083338 0.00076195 4.3605e+05 2024-05-08 15:03:21,031 INFO [main.py:798]
{rank 0/64} MD step = 268700 step time: 00:00:00.155306 Performance: 62.099 ns/day 0.386 hours/ns 3.594 steps/s 2024-05-08 15:03:28,222 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 149.35 -2038.9 16369 -18408 -18408 -0.00053336 -0.00036193 0.00053336 4.3622e+05 2024-05-08 15:03:43,649 INFO [main.py:798]
{rank 0/64} MD step = 268800 step time: 00:00:00.153573 Performance: 62.103 ns/day 0.386 hours/ns 3.594 steps/s 2024-05-08 15:03:50,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268800 53760 149.05 -2031.6 16336 -18367 -18367 -0.00047622 -0.00080957 0.00057146 4.3638e+05 2024-05-08 15:04:05,749 INFO [main.py:798]
{rank 0/64} MD step = 268900 step time: 00:00:00.155153 Performance: 62.108 ns/day 0.386 hours/ns 3.594 steps/s 2024-05-08 15:04:13,788 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 148.86 -1972.8 16315 -18288 -18288 -0.000781 -0.00068575 0.00076195 4.365e+05 2024-05-08 15:04:29,141 INFO [main.py:798]
{rank 0/64} MD step = 269000 step time: 00:00:00.164336 Performance: 62.112 ns/day 0.386 hours/ns 3.594 steps/s 2024-05-08 15:04:33,524 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 150.37 -1864.5 16481 -18345 -18345 -0.00053336 -0.00097148 0.00095243 4.3663e+05 2024-05-08 15:04:51,284 INFO [main.py:798]
{rank 0/64} MD step = 269100 step time: 00:00:00.149005 Performance: 62.116 ns/day 0.386 hours/ns 3.595 steps/s 2024-05-08 15:04:58,816 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 151.24 -1697.1 16577 -18274 -18274 -0.00040002 -0.0006667 0.0004905 4.3685e+05 2024-05-08 15:05:14,514 INFO [main.py:798]
{rank 0/64} MD step = 269200 step time: 00:00:00.147966 Performance: 62.120 ns/day 0.386 hours/ns 3.595 steps/s 2024-05-08 15:05:25,432 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 150.66 -1716.6 16513 -18230 -18230 -0.0007048 -0.00068575 0.00049527 4.37e+05 2024-05-08 15:05:40,464 INFO [main.py:798]
{rank 0/64} MD step = 269300 step time: 00:00:00.139244 Performance: 62.122 ns/day 0.386 hours/ns 3.595 steps/s 2024-05-08 15:05:45,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269300 53860 150.09 -1950.3 16450 -18401 -18401 -0.00041907 -0.00045717 0.00068575 4.3714e+05 2024-05-08 15:06:02,262 INFO [main.py:798]
{rank 0/64} MD step = 269400 step time: 00:00:00.139151 Performance: 62.127 ns/day 0.386 hours/ns 3.595 steps/s 2024-05-08 15:06:11,263 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 148.32 -2180.9 16256 -18437 -18437 -0.00057146 -0.00081909 0.00083814 4.3727e+05 2024-05-08 15:06:27,110 INFO [main.py:798]
{rank 0/64} MD step = 269500 step time: 00:00:00.138558 Performance: 62.129 ns/day 0.386 hours/ns 3.595 steps/s 2024-05-08 15:06:34,733 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 148.46 -1923.4 16271 -18195 -18195 -0.00034288 -0.00055241 0.00045717 4.3745e+05 2024-05-08 15:06:50,307 INFO [main.py:798]
{rank 0/64} MD step = 269600 step time: 00:00:00.152380 Performance: 62.133 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 15:07:00,672 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 151.18 -1876.8 16570 -18447 -18447 -0.00083814 -0.00055241 0.00030478 4.3759e+05 2024-05-08 15:07:16,429 INFO [main.py:798]
{rank 0/64} MD step = 269700 step time: 00:00:00.158648 Performance: 62.134 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 15:07:22,181 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 150 -1965.6 16441 -18406 -18406 -0.00076195 -0.00093339 0.00057146 4.3777e+05 2024-05-08 15:07:37,913 INFO [main.py:798]
{rank 0/64} MD step = 269800 step time: 00:00:00.162616 Performance: 62.140 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 15:07:43,050 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 152.3 -1739.3 16692 -18432 -18432 -0.00072385 -0.00057146 0.00015239 4.3786e+05 2024-05-08 15:08:00,780 INFO [main.py:798]
{rank 0/64} MD step = 269900 step time: 00:00:00.151846 Performance: 62.144 ns/day 0.386 hours/ns 3.596 steps/s 2024-05-08 15:08:06,451 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 150.65 -1790.8 16512 -18303 -18303 -0.00083338 -0.0006667 0.00022858 4.3807e+05 2024-05-08 15:08:23,319 INFO [main.py:798]
{rank 0/64} MD step = 270000 step time: 00:00:00.160111 Performance: 62.148 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 15:08:32,318 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 150.11 -1620.6 16452 -18073 -18073 -0.00048574 -0.00099053 0.00068575 4.3827e+05 2024-05-08 15:08:47,821 INFO [main.py:798]
{rank 0/64} MD step = 270100 step time: 00:00:00.161364 Performance: 62.151 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 15:08:54,763 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 150.72 -1859.4 16519 -18379 -18379 -0.00053336 -0.00039526 0.00060956 4.3836e+05 2024-05-08 15:09:09,695 INFO [main.py:798]
{rank 0/64} MD step = 270200 step time: 00:00:00.152931 Performance: 62.156 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 15:09:17,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270200 54040 150.16 -1980.4 16457 -18438 -18438 -0.0007429 -0.00043812 0.00080005 4.385e+05 2024-05-08 15:09:33,147 INFO [main.py:798]
{rank 0/64} MD step = 270300 step time: 00:00:00.164664 Performance: 62.159 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 15:09:39,178 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 151.34 -1781.1 16587 -18368 -18368 -0.00051431 -0.00040955 0.00089529 4.3863e+05 2024-05-08 15:09:54,722 INFO [main.py:798]
{rank 0/64} MD step = 270400 step time: 00:00:00.147104 Performance: 62.164 ns/day 0.386 hours/ns 3.597 steps/s 2024-05-08 15:10:00,214 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 150 -1989.1 16440 -18429 -18429 -0.000781 -0.00022858 0.00045717 4.3873e+05 2024-05-08 15:10:17,738 INFO [main.py:798]
{rank 0/64} MD step = 270500 step time: 00:00:00.159770 Performance: 62.168 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 15:10:23,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270500 54100 150.32 -2022.3 16475 -18497 -18497 -0.00072385 -0.00064766 0.00068575 4.3891e+05 2024-05-08 15:10:39,931 INFO [main.py:798]
{rank 0/64} MD step = 270600 step time: 00:00:00.165301 Performance: 62.173 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 15:10:47,208 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 150.08 -1898.1 16449 -18348 -18348 -0.00076195 -0.0007429 0.00068575 4.3907e+05 2024-05-08 15:11:03,101 INFO [main.py:798]
{rank 0/64} MD step = 270700 step time: 00:00:00.157793 Performance: 62.177 ns/day 0.386 hours/ns 3.598 steps/s 2024-05-08 15:11:08,397 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 149.97 -1724.7 16437 -18162 -18162 -0.00083814 -0.00079052 0.00085243 4.3925e+05 2024-05-08 15:11:24,183 INFO [main.py:798]
{rank 0/64} MD step = 270800 step time: 00:00:00.157469 Performance: 62.182 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 15:11:28,669 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 149.13 -2078.4 16344 -18423 -18423 -0.00080005 -0.00098101 0.00057146 4.3941e+05 2024-05-08 15:11:46,766 INFO [main.py:798]
{rank 0/64} MD step = 270900 step time: 00:00:00.157448 Performance: 62.187 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 15:11:54,018 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 151.32 -1646.2 16585 -18231 -18231 -0.00083814 -0.00083814 0.00050479 4.3958e+05 2024-05-08 15:12:10,403 INFO [main.py:798]
{rank 0/64} MD step = 271000 step time: 00:00:00.163094 Performance: 62.190 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 15:12:17,395 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 149.58 -1778.6 16395 -18173 -18173 -0.00081909 -0.00064766 0.00056194 4.398e+05 2024-05-08 15:12:33,143 INFO [main.py:798]
{rank 0/64} MD step = 271100 step time: 00:00:00.160601 Performance: 62.194 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 15:12:39,743 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 149.99 -1915.1 16439 -18354 -18354 -0.00041907 -0.00038097 0.00053336 4.3991e+05 2024-05-08 15:12:55,571 INFO [main.py:798]
{rank 0/64} MD step = 271200 step time: 00:00:00.161489 Performance: 62.199 ns/day 0.386 hours/ns 3.599 steps/s 2024-05-08 15:13:06,449 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 151.56 -1782.6 16611 -18393 -18393 -0.00043812 -0.00049527 0.00060956 4.4007e+05 2024-05-08 15:13:22,126 INFO [main.py:798]
{rank 0/64} MD step = 271300 step time: 00:00:00.147995 Performance: 62.200 ns/day 0.386 hours/ns 3.600 steps/s 2024-05-08 15:13:31,083 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 150.81 -1845.4 16528 -18374 -18374 -0.00033335 -0.00079052 0.00047622 4.4025e+05 2024-05-08 15:13:47,057 INFO [main.py:798]
{rank 0/64} MD step = 271400 step time: 00:00:00.156844 Performance: 62.202 ns/day 0.386 hours/ns 3.600 steps/s 2024-05-08 15:13:54,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271400 54280 150.14 -1934.3 16455 -18390 -18390 -0.0007429 -0.0010286 0.00087624 4.4036e+05 2024-05-08 15:14:10,591 INFO [main.py:798]
{rank 0/64} MD step = 271500 step time: 00:00:00.152140 Performance: 62.206 ns/day 0.386 hours/ns 3.600 steps/s 2024-05-08 15:14:18,384 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 149.17 -2191.3 16349 -18540 -18540 -0.00095243 -0.00080005 0.00038097 4.4048e+05 2024-05-08 15:14:34,106 INFO [main.py:798]
{rank 0/64} MD step = 271600 step time: 00:00:00.163954 Performance: 62.209 ns/day 0.386 hours/ns 3.600 steps/s 2024-05-08 15:14:41,107 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 147.47 -2122.2 16163 -18285 -18285 -0.000781 -0.00076195 0.00053336 4.4069e+05 2024-05-08 15:14:56,025 INFO [main.py:798]
{rank 0/64} MD step = 271700 step time: 00:00:00.157801 Performance: 62.214 ns/day 0.386 hours/ns 3.600 steps/s 2024-05-08 15:15:03,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271700 54340 150.34 -1716.5 16478 -18194 -18194 -0.00060956 -0.00095243 0.00024763 4.4087e+05 2024-05-08 15:15:18,438 INFO [main.py:798]
{rank 0/64} MD step = 271800 step time: 00:00:00.153657 Performance: 62.218 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 15:15:26,756 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 150.25 -2007.3 16467 -18474 -18474 -0.00088576 -0.00072385 0.00062861 4.4099e+05 2024-05-08 15:15:42,495 INFO [main.py:798]
{rank 0/64} MD step = 271900 step time: 00:00:00.148486 Performance: 62.221 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 15:15:51,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271900 54380 149.07 -1914.8 16338 -18253 -18253 -0.00076195 -0.00060956 0.00034288 4.4112e+05 2024-05-08 15:16:07,590 INFO [main.py:798]
{rank 0/64} MD step = 272000 step time: 00:00:00.162643 Performance: 62.224 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 15:16:15,837 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 149.74 -1812.2 16412 -18224 -18224 -0.00083814 -0.00062861 0.00069528 4.4127e+05 2024-05-08 15:16:31,387 INFO [main.py:798]
{rank 0/64} MD step = 272100 step time: 00:00:00.157295 Performance: 62.227 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 15:16:36,622 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 149.05 -2122.3 16336 -18458 -18458 -0.00038097 -0.00060956 0.00060956 4.414e+05 2024-05-08 15:16:54,059 INFO [main.py:798]
{rank 0/64} MD step = 272200 step time: 00:00:00.158206 Performance: 62.231 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 15:17:02,226 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 149.88 -1847.3 16427 -18274 -18274 -0.00030478 -0.00068575 0.00060956 4.4157e+05 2024-05-08 15:17:18,395 INFO [main.py:798]
{rank 0/64} MD step = 272300 step time: 00:00:00.159181 Performance: 62.234 ns/day 0.386 hours/ns 3.601 steps/s 2024-05-08 15:17:25,322 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 151.14 -1823.6 16565 -18388 -18388 -0.00061908 -0.00065242 -0.00022858 4.4171e+05 2024-05-08 15:17:41,175 INFO [main.py:798]
{rank 0/64} MD step = 272400 step time: 00:00:00.158331 Performance: 62.238 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 15:17:47,830 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 148.08 -1990.5 16229 -18220 -18220 -0.00053336 -0.00028573 0.00060956 4.419e+05 2024-05-08 15:18:03,696 INFO [main.py:798]
{rank 0/64} MD step = 272500 step time: 00:00:00.166730 Performance: 62.242 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 15:18:11,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272500 54500 150.11 -1861.6 16453 -18314 -18314 -0.00043812 -0.00038097 0.0006667 4.4203e+05 2024-05-08 15:18:27,321 INFO [main.py:798]
{rank 0/64} MD step = 272600 step time: 00:00:00.163178 Performance: 62.246 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 15:18:34,719 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 148.76 -2055.2 16304 -18360 -18360 -0.00032383 -0.00040002 0.00053336 4.4219e+05 2024-05-08 15:18:50,315 INFO [main.py:798]
{rank 0/64} MD step = 272700 step time: 00:00:00.160586 Performance: 62.250 ns/day 0.386 hours/ns 3.602 steps/s 2024-05-08 15:18:58,347 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 153.94 -1510.9 16872 -18383 -18383 -0.00040002 -0.00041907 0.00032383 4.4235e+05 2024-05-08 15:19:14,035 INFO [main.py:798]
{rank 0/64} MD step = 272800 step time: 00:00:00.158805 Performance: 62.253 ns/day 0.386 hours/ns 3.603 steps/s 2024-05-08 15:19:20,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272800 54560 149.9 -1736.8 16429 -18166 -18166 -0.00085719 -0.0006667 -0.00020954 4.4251e+05 2024-05-08 15:19:36,643 INFO [main.py:798]
{rank 0/64} MD step = 272900 step time: 00:00:00.158940 Performance: 62.257 ns/day 0.385 hours/ns 3.603 steps/s 2024-05-08 15:19:41,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272900 54580 150.03 -2001.1 16444 -18445 -18445 -0.00045717 -0.00030478 0.0007429 4.4268e+05 2024-05-08 15:19:57,472 INFO [main.py:798]
{rank 0/64} MD step = 273000 step time: 00:00:00.160974 Performance: 62.263 ns/day 0.385 hours/ns 3.603 steps/s 2024-05-08 15:20:08,904 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 150 -1952.6 16440 -18392 -18392 -0.00047622 -0.00055717 0.00021906 4.4285e+05 2024-05-08 15:20:24,895 INFO [main.py:798]
{rank 0/64} MD step = 273100 step time: 00:00:00.160455 Performance: 62.263 ns/day 0.385 hours/ns 3.603 steps/s 2024-05-08 15:20:37,031 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 150.66 -1984.1 16513 -18497 -18497 -0.00092386 -0.00076195 0.00049527 4.4309e+05 2024-05-08 15:20:52,749 INFO [main.py:798]
{rank 0/64} MD step = 273200 step time: 00:00:00.149011 Performance: 62.263 ns/day 0.385 hours/ns 3.603 steps/s 2024-05-08 15:20:59,542 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 149.49 -2081.1 16385 -18466 -18466 -0.0007429 -0.00087624 0.00085719 4.4319e+05 2024-05-08 15:21:15,469 INFO [main.py:798]
{rank 0/64} MD step = 273300 step time: 00:00:00.149629 Performance: 62.267 ns/day 0.385 hours/ns 3.603 steps/s 2024-05-08 15:21:23,179 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 150.49 -1853 16494 -18347 -18347 -0.00057146 -0.00054289 0.00045717 4.4333e+05 2024-05-08 15:21:38,910 INFO [main.py:798]
{rank 0/64} MD step = 273400 step time: 00:00:00.153939 Performance: 62.271 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 15:21:44,588 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 150.97 -1901.8 16547 -18449 -18449 -0.00076195 -0.00045717 0.00091434 4.4348e+05 2024-05-08 15:22:00,820 INFO [main.py:798]
{rank 0/64} MD step = 273500 step time: 00:00:00.161314 Performance: 62.275 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 15:22:10,355 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 148.66 -2303 16293 -18596 -18596 -0.00083814 -0.00055241 0.00041907 4.436e+05 2024-05-08 15:22:26,261 INFO [main.py:798]
{rank 0/64} MD step = 273600 step time: 00:00:00.164860 Performance: 62.277 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 15:22:34,090 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 150.6 -1969 16506 -18475 -18475 -0.00072385 -0.00095243 0.00060956 4.4381e+05 2024-05-08 15:22:50,100 INFO [main.py:798]
{rank 0/64} MD step = 273700 step time: 00:00:00.154195 Performance: 62.281 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 15:22:57,922 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 151.42 -1792.6 16596 -18388 -18388 -0.00030478 -0.00068575 0.00041907 4.4401e+05 2024-05-08 15:23:13,610 INFO [main.py:798]
{rank 0/64} MD step = 273800 step time: 00:00:00.160406 Performance: 62.284 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 15:23:19,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273800 54760 151.01 -1700.3 16551 -18251 -18251 -0.00030478 -0.00047622 0.00010477 4.4414e+05 2024-05-08 15:23:36,034 INFO [main.py:798]
{rank 0/64} MD step = 273900 step time: 00:00:00.151729 Performance: 62.288 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 15:23:48,974 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 150.05 -1801.8 16446 -18247 -18247 -0.00081909 -0.00055241 3.8097e-05 4.4432e+05 2024-05-08 15:24:06,580 INFO [main.py:798]
{rank 0/64} MD step = 274000 step time: 00:00:00.156481 Performance: 62.286 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 15:24:19,869 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 150.65 -1915.8 16511 -18427 -18427 -0.00076195 -0.00085719 0.00053336 4.4446e+05 2024-05-08 15:24:35,994 INFO [main.py:798]
{rank 0/64} MD step = 274100 step time: 00:00:00.141509 Performance: 62.285 ns/day 0.385 hours/ns 3.604 steps/s 2024-05-08 15:24:42,426 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 152.33 -1623.1 16696 -18319 -18319 -0.00049527 -0.00053336 0.00058099 4.4464e+05 2024-05-08 15:24:58,978 INFO [main.py:798]
{rank 0/64} MD step = 274200 step time: 00:00:00.140429 Performance: 62.289 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 15:25:06,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274200 54840 150.77 -1773.2 16524 -18297 -18297 -0.00068575 -0.00032383 0.00076195 4.4482e+05 2024-05-08 15:25:22,627 INFO [main.py:798]
{rank 0/64} MD step = 274300 step time: 00:00:00.154821 Performance: 62.292 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 15:25:28,511 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 149.49 -1873.2 16384 -18257 -18257 -0.00024763 -0.00060956 -0.00019049 4.4496e+05 2024-05-08 15:25:44,889 INFO [main.py:798]
{rank 0/64} MD step = 274400 step time: 00:00:00.142273 Performance: 62.296 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 15:25:49,456 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 150.91 -1916.7 16540 -18457 -18457 -0.00083814 -0.00038097 0.00072385 4.4508e+05 2024-05-08 15:26:07,281 INFO [main.py:798]
{rank 0/64} MD step = 274500 step time: 00:00:00.160841 Performance: 62.301 ns/day 0.385 hours/ns 3.605 steps/s 2024-05-08 15:26:14,276 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 150.53 -1997.3 16498 -18495 -18495 -0.00032383 -0.00057146 0.00017144 4.4525e+05 2024-05-08 15:26:30,168 INFO [main.py:798]
{rank 0/64} MD step = 274600 step time: 00:00:00.165080 Performance: 62.305 ns/day 0.385 hours/ns 3.606 steps/s 2024-05-08 15:26:37,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274600 54920 150.81 -1812.5 16529 -18342 -18342 -0.00095243 -0.00076195 0.00061908 4.4538e+05 2024-05-08 15:26:52,507 INFO [main.py:798]
{rank 0/64} MD step = 274700 step time: 00:00:00.159816 Performance: 62.309 ns/day 0.385 hours/ns 3.606 steps/s 2024-05-08 15:26:59,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274700 54940 150.24 -1972.3 16467 -18439 -18439 -0.00049527 -0.00048574 0.00060956 4.4551e+05 2024-05-08 15:27:14,721 INFO [main.py:798]
{rank 0/64} MD step = 274800 step time: 00:00:00.166622 Performance: 62.314 ns/day 0.385 hours/ns 3.606 steps/s 2024-05-08 15:27:22,114 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 151.85 -1564.2 16642 -18207 -18207 -0.0007429 -0.00091434 0.00030478 4.4573e+05 2024-05-08 15:27:38,374 INFO [main.py:798]
{rank 0/64} MD step = 274900 step time: 00:00:00.159989 Performance: 62.317 ns/day 0.385 hours/ns 3.606 steps/s 2024-05-08 15:27:50,327 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 149.53 -2120.3 16388 -18509 -18509 -0.00076195 -0.00089529 0.00081909 4.4587e+05 2024-05-08 15:28:05,816 INFO [main.py:798]
{rank 0/64} MD step = 275000 step time: 00:00:00.156126 Performance: 62.317 ns/day 0.385 hours/ns 3.606 steps/s 2024-05-08 15:28:12,698 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 149.36 -2111.3 16370 -18481 -18481 -0.00080005 -0.00049527 0.00062861 4.46e+05 2024-05-08 15:28:28,490 INFO [main.py:798]
{rank 0/64} MD step = 275100 step time: 00:00:00.162879 Performance: 62.321 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 15:28:34,502 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 148.13 -2137.5 16235 -18373 -18373 -0.0006667 -0.00045717 0.00041907 4.462e+05 2024-05-08 15:28:50,171 INFO [main.py:798]
{rank 0/64} MD step = 275200 step time: 00:00:00.155581 Performance: 62.326 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 15:28:55,838 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 148.51 -2198.7 16277 -18476 -18476 -0.00057146 -0.00041907 0.00055241 4.4631e+05 2024-05-08 15:29:13,611 INFO [main.py:798]
{rank 0/64} MD step = 275300 step time: 00:00:00.173772 Performance: 62.330 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 15:29:20,714 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 150.77 -2043.2 16525 -18568 -18568 -0.00051431 -0.00060956 0.00046669 4.4649e+05 2024-05-08 15:29:36,397 INFO [main.py:798]
{rank 0/64} MD step = 275400 step time: 00:00:00.164563 Performance: 62.334 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 15:29:43,023 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 148.54 -2100.1 16281 -18381 -18381 -0.00047146 -0.00045717 0.00060956 4.4665e+05 2024-05-08 15:29:58,890 INFO [main.py:798]
{rank 0/64} MD step = 275500 step time: 00:00:00.160667 Performance: 62.338 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:30:14,990 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 150.01 -2152.6 16441 -18594 -18594 -0.00080005 -0.00045717 0.00038097 4.4681e+05 2024-05-08 15:30:30,293 INFO [main.py:798]
{rank 0/64} MD step = 275600 step time: 00:00:00.156164 Performance: 62.335 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 15:30:42,456 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 150.96 -1922.1 16546 -18468 -18468 -0.00049527 -0.00053336 0.00049527 4.4698e+05 2024-05-08 15:30:57,914 INFO [main.py:798]
{rank 0/64} MD step = 275700 step time: 00:00:00.146998 Performance: 62.335 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 15:31:07,555 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 151.81 -1892.5 16639 -18532 -18532 -0.00049527 -0.00062861 0.00030478 4.4712e+05 2024-05-08 15:31:26,242 INFO [main.py:798]
{rank 0/64} MD step = 275800 step time: 00:00:00.187903 Performance: 62.335 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 15:31:34,987 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 149.88 -1865.3 16427 -18292 -18292 -0.00051431 -0.00095243 0.00034288 4.4726e+05 2024-05-08 15:31:51,537 INFO [main.py:798]
{rank 0/64} MD step = 275900 step time: 00:00:00.161184 Performance: 62.337 ns/day 0.385 hours/ns 3.607 steps/s 2024-05-08 15:31:59,586 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 150.85 -1832.1 16533 -18365 -18365 -0.00015239 -0.00089529 0.00049527 4.4742e+05 2024-05-08 15:32:15,572 INFO [main.py:798]
{rank 0/64} MD step = 276000 step time: 00:00:00.163612 Performance: 62.340 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:32:26,122 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 147.8 -2238.3 16199 -18437 -18437 -0.00051431 -0.00083814 0.00097148 4.4762e+05 2024-05-08 15:32:43,601 INFO [main.py:798]
{rank 0/64} MD step = 276100 step time: 00:00:00.152880 Performance: 62.339 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:32:54,115 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 150.59 -1914.2 16505 -18419 -18419 -0.00082862 -0.00033335 0.00053336 4.4774e+05 2024-05-08 15:33:09,343 INFO [main.py:798]
{rank 0/64} MD step = 276200 step time: 00:00:00.153841 Performance: 62.341 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:33:15,878 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 150.48 -1888.9 16493 -18382 -18382 -0.00053336 -0.00038097 0.00057146 4.4789e+05 2024-05-08 15:33:32,472 INFO [main.py:798]
{rank 0/64} MD step = 276300 step time: 00:00:00.159232 Performance: 62.345 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:33:40,459 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 148.68 -1953.1 16296 -18249 -18249 -0.00034288 -0.00038097 0.00053336 4.4806e+05 2024-05-08 15:33:56,453 INFO [main.py:798]
{rank 0/64} MD step = 276400 step time: 00:00:00.167760 Performance: 62.348 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:34:05,687 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 150.86 -1719.5 16535 -18254 -18254 -0.00045717 -0.00067623 0.00055241 4.4824e+05 2024-05-08 15:34:21,167 INFO [main.py:798]
{rank 0/64} MD step = 276500 step time: 00:00:00.160093 Performance: 62.350 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:34:31,471 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 148.93 -2096.8 16323 -18420 -18420 -0.00072385 -0.00075242 0.00057146 4.4835e+05 2024-05-08 15:34:46,873 INFO [main.py:798]
{rank 0/64} MD step = 276600 step time: 00:00:00.154515 Performance: 62.352 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:34:57,110 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 150.21 -1997.8 16463 -18461 -18461 -0.00022858 -0.00047622 0.00053336 4.4851e+05 2024-05-08 15:35:13,212 INFO [main.py:798]
{rank 0/64} MD step = 276700 step time: 00:00:00.169515 Performance: 62.353 ns/day 0.385 hours/ns 3.608 steps/s 2024-05-08 15:35:22,025 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 150.16 -2155.3 16457 -18613 -18613 -0.00038097 -0.00070004 0.00060956 4.4866e+05 2024-05-08 15:35:37,979 INFO [main.py:798]
{rank 0/64} MD step = 276800 step time: 00:00:00.170621 Performance: 62.355 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:35:46,482 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 148.97 -2028.1 16327 -18355 -18355 -0.00097148 -0.00026668 0.0003143 4.489e+05 2024-05-08 15:36:02,090 INFO [main.py:798]
{rank 0/64} MD step = 276900 step time: 00:00:00.163363 Performance: 62.358 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:36:07,826 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 148.6 -2084 16287 -18371 -18371 -0.00061908 -0.00076195 0.00060956 4.4906e+05 2024-05-08 15:36:23,454 INFO [main.py:798]
{rank 0/64} MD step = 277000 step time: 00:00:00.159868 Performance: 62.364 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:36:35,332 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 148.86 -1939.9 16315 -18255 -18255 -0.00055241 -0.00053336 0.00068575 4.4924e+05 2024-05-08 15:36:51,509 INFO [main.py:798]
{rank 0/64} MD step = 277100 step time: 00:00:00.161064 Performance: 62.363 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:37:02,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277100 55420 151.03 -1795.1 16553 -18348 -18348 -0.0007429 -0.00060956 0.0007048 4.4942e+05 2024-05-08 15:37:18,523 INFO [main.py:798]
{rank 0/64} MD step = 277200 step time: 00:00:00.156589 Performance: 62.364 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:37:28,775 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 148.81 -2023.2 16310 -18333 -18333 -0.00099053 -0.00030478 0.00064766 4.4955e+05 2024-05-08 15:37:45,013 INFO [main.py:798]
{rank 0/64} MD step = 277300 step time: 00:00:00.138724 Performance: 62.365 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:37:51,940 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 152.09 -1759.2 16670 -18429 -18429 -0.00064766 -0.00053336 0.00026668 4.4972e+05 2024-05-08 15:38:09,444 INFO [main.py:798]
{rank 0/64} MD step = 277400 step time: 00:00:00.154585 Performance: 62.367 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:38:16,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277400 55480 149.12 -2212 16344 -18556 -18556 -0.00047622 -0.00067623 0.0007429 4.4989e+05 2024-05-08 15:38:32,427 INFO [main.py:798]
{rank 0/64} MD step = 277500 step time: 00:00:00.153346 Performance: 62.371 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:38:41,740 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 151.7 -1778.4 16627 -18405 -18405 -0.00034288 -0.00041907 0.00034288 4.5002e+05 2024-05-08 15:38:59,447 INFO [main.py:798]
{rank 0/64} MD step = 277600 step time: 00:00:00.158267 Performance: 62.372 ns/day 0.385 hours/ns 3.609 steps/s 2024-05-08 15:39:07,459 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 150.7 -2068.1 16517 -18585 -18585 -0.0007429 -0.00052384 0.00030478 4.5017e+05 2024-05-08 15:39:23,701 INFO [main.py:798]
{rank 0/64} MD step = 277700 step time: 00:00:00.146805 Performance: 62.375 ns/day 0.385 hours/ns 3.610 steps/s 2024-05-08 15:39:28,239 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 151.72 -1685.7 16629 -18315 -18315 -0.00043812 -0.00072385 0.00091434 4.5032e+05 2024-05-08 15:39:45,922 INFO [main.py:798]
{rank 0/64} MD step = 277800 step time: 00:00:00.151924 Performance: 62.379 ns/day 0.385 hours/ns 3.610 steps/s 2024-05-08 15:39:51,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277800 55560 150.09 -2091.8 16450 -18542 -18542 -0.00038097 -0.00076195 0.00068575 4.5048e+05 2024-05-08 15:40:08,338 INFO [main.py:798]
{rank 0/64} MD step = 277900 step time: 00:00:00.147468 Performance: 62.383 ns/day 0.385 hours/ns 3.610 steps/s 2024-05-08 15:40:13,880 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 150.28 -2029.3 16471 -18500 -18500 -0.00045717 -0.00092386 0.00036193 4.5066e+05 2024-05-08 15:40:29,859 INFO [main.py:798]
{rank 0/64} MD step = 278000 step time: 00:00:00.160616 Performance: 62.388 ns/day 0.385 hours/ns 3.610 steps/s 2024-05-08 15:40:36,929 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 146.24 -2327.6 16029 -18356 -18356 -0.00064766 -0.00082862 0.0007048 4.5083e+05 2024-05-08 15:40:53,216 INFO [main.py:798]
{rank 0/64} MD step = 278100 step time: 00:00:00.167680 Performance: 62.392 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 15:41:00,222 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 151.36 -1764.5 16589 -18353 -18353 -0.00068575 -0.00091434 0.00053336 4.5094e+05 2024-05-08 15:41:16,223 INFO [main.py:798]
{rank 0/64} MD step = 278200 step time: 00:00:00.201139 Performance: 62.396 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 15:41:26,379 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 148.21 -2282.2 16244 -18526 -18526 -0.00076195 -0.00060956 0.00030478 4.511e+05 2024-05-08 15:41:42,427 INFO [main.py:798]
{rank 0/64} MD step = 278300 step time: 00:00:00.151295 Performance: 62.397 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 15:41:48,270 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 150.12 -2012 16454 -18466 -18466 -0.00080005 -0.00068575 0.00057146 4.5129e+05 2024-05-08 15:42:04,264 INFO [main.py:798]
{rank 0/64} MD step = 278400 step time: 00:00:00.155682 Performance: 62.402 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 15:42:12,421 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 148.1 -2203.1 16231 -18435 -18435 -0.00049527 -0.00049527 0.00038097 4.5147e+05 2024-05-08 15:42:28,995 INFO [main.py:798]
{rank 0/64} MD step = 278500 step time: 00:00:00.164144 Performance: 62.404 ns/day 0.385 hours/ns 3.611 steps/s 2024-05-08 15:42:32,921 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 150.2 -1908.7 16462 -18371 -18371 -0.00089529 -0.00040002 0.00083814 4.5164e+05 2024-05-08 15:42:50,794 INFO [main.py:798]
{rank 0/64} MD step = 278600 step time: 00:00:00.167756 Performance: 62.409 ns/day 0.385 hours/ns 3.612 steps/s 2024-05-08 15:42:56,674 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 150.55 -1857.9 16500 -18358 -18358 -0.00091434 -0.00041907 0.00065718 4.5176e+05 2024-05-08 15:43:12,167 INFO [main.py:798]
{rank 0/64} MD step = 278700 step time: 00:00:00.164346 Performance: 62.414 ns/day 0.385 hours/ns 3.612 steps/s 2024-05-08 15:43:19,335 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 151.19 -1982 16570 -18552 -18552 -0.0006667 -0.00058099 0.00091434 4.5189e+05 2024-05-08 15:43:34,861 INFO [main.py:798]
{rank 0/64} MD step = 278800 step time: 00:00:00.163427 Performance: 62.418 ns/day 0.385 hours/ns 3.612 steps/s 2024-05-08 15:43:39,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278800 55760 151.11 -2059.2 16562 -18621 -18621 -0.00091434 -0.00059051 0.00051431 4.5208e+05 2024-05-08 15:43:57,171 INFO [main.py:798]
{rank 0/64} MD step = 278900 step time: 00:00:00.152637 Performance: 62.422 ns/day 0.384 hours/ns 3.612 steps/s 2024-05-08 15:44:03,950 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 149.66 -1806.8 16403 -18210 -18210 -0.00055241 -0.00094291 0.00053336 4.5225e+05 2024-05-08 15:44:19,400 INFO [main.py:798]
{rank 0/64} MD step = 279000 step time: 00:00:00.159124 Performance: 62.427 ns/day 0.384 hours/ns 3.613 steps/s 2024-05-08 15:44:27,077 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 148.55 -2412.1 16281 -18693 -18693 -0.00080005 -0.00097148 0.00052384 4.5236e+05 2024-05-08 15:44:42,530 INFO [main.py:798]
{rank 0/64} MD step = 279100 step time: 00:00:00.157022 Performance: 62.430 ns/day 0.384 hours/ns 3.613 steps/s 2024-05-08 15:44:48,837 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 148.37 -2397.1 16261 -18658 -18658 -0.00071433 -0.00068575 0.00026668 4.525e+05 2024-05-08 15:45:04,461 INFO [main.py:798]
{rank 0/64} MD step = 279200 step time: 00:00:00.154635 Performance: 62.435 ns/day 0.384 hours/ns 3.613 steps/s 2024-05-08 15:45:08,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279200 55840 147.93 -2610.4 16213 -18824 -18824 -0.00041907 -0.00061908 0.00034288 4.5261e+05 2024-05-08 15:45:26,256 INFO [main.py:798]
{rank 0/64} MD step = 279300 step time: 00:00:00.187860 Performance: 62.440 ns/day 0.384 hours/ns 3.613 steps/s 2024-05-08 15:45:34,033 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 151.84 -1817.9 16642 -18459 -18459 -0.00045717 -0.00064766 0.00072385 4.5281e+05 2024-05-08 15:45:49,892 INFO [main.py:798]
{rank 0/64} MD step = 279400 step time: 00:00:00.169046 Performance: 62.443 ns/day 0.384 hours/ns 3.614 steps/s 2024-05-08 15:45:56,123 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 149.48 -2289.2 16384 -18673 -18673 -0.00060956 -0.00049527 0.00068575 4.5293e+05 2024-05-08 15:46:11,935 INFO [main.py:798]
{rank 0/64} MD step = 279500 step time: 00:00:00.157005 Performance: 62.448 ns/day 0.384 hours/ns 3.614 steps/s 2024-05-08 15:46:17,770 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 150.23 -1839.3 16466 -18305 -18305 -0.00062861 -0.00022858 0.00055717 4.5315e+05 2024-05-08 15:46:33,785 INFO [main.py:798]
{rank 0/64} MD step = 279600 step time: 00:00:00.156731 Performance: 62.452 ns/day 0.384 hours/ns 3.614 steps/s 2024-05-08 15:46:40,564 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 150.33 -2015.5 16476 -18492 -18492 -0.00028573 -0.00036193 0.00072385 4.5329e+05 2024-05-08 15:46:56,495 INFO [main.py:798]
{rank 0/64} MD step = 279700 step time: 00:00:00.159473 Performance: 62.456 ns/day 0.384 hours/ns 3.614 steps/s 2024-05-08 15:47:04,678 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 150.53 -1809.6 16499 -18308 -18308 -0.00034288 -0.00067623 0.00084767 4.5346e+05 2024-05-08 15:47:20,922 INFO [main.py:798]
{rank 0/64} MD step = 279800 step time: 00:00:00.157043 Performance: 62.459 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 15:47:26,614 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 152.02 -1804.6 16662 -18467 -18467 -0.00057146 -0.00059051 0.00034288 4.5357e+05 2024-05-08 15:47:43,653 INFO [main.py:798]
{rank 0/64} MD step = 279900 step time: 00:00:00.157950 Performance: 62.463 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 15:47:50,663 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 151.33 -1969.4 16586 -18555 -18555 -0.0007048 -0.00080005 0.00054289 4.5373e+05 2024-05-08 15:48:06,479 INFO [main.py:798]
{rank 0/64} MD step = 280000 step time: 00:00:00.153535 Performance: 62.467 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 15:48:12,570 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 151.99 -1883.8 16658 -18542 -18542 -0.00068575 -0.00045717 0.00080005 4.5392e+05 2024-05-08 15:48:28,855 INFO [main.py:798]
{rank 0/64} MD step = 280100 step time: 00:00:00.162291 Performance: 62.471 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 15:48:37,428 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 147.63 -2459.1 16181 -18640 -18640 -0.00076195 -0.00057146 0.0004286 4.5402e+05 2024-05-08 15:48:53,650 INFO [main.py:798]
{rank 0/64} MD step = 280200 step time: 00:00:00.160454 Performance: 62.473 ns/day 0.384 hours/ns 3.615 steps/s 2024-05-08 15:48:59,212 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 153.73 -1548.3 16849 -18397 -18397 -0.00085719 -0.00049527 0.00038097 4.5421e+05 2024-05-08 15:49:15,718 INFO [main.py:798]
{rank 0/64} MD step = 280300 step time: 00:00:00.162497 Performance: 62.478 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:49:21,865 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 152.28 -1774.2 16690 -18464 -18464 -0.00060956 -0.00053336 0.00080005 4.5438e+05 2024-05-08 15:49:38,673 INFO [main.py:798]
{rank 0/64} MD step = 280400 step time: 00:00:00.163387 Performance: 62.482 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:49:50,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280400 56080 150.86 -1843.1 16534 -18377 -18377 -0.00083814 -0.00068575 0.00055241 4.5453e+05 2024-05-08 15:50:05,352 INFO [main.py:798]
{rank 0/64} MD step = 280500 step time: 00:00:00.158431 Performance: 62.482 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:50:13,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280500 56100 149.86 -2020 16425 -18445 -18445 -0.00067623 -0.00068099 0.00091434 4.5467e+05 2024-05-08 15:50:29,608 INFO [main.py:798]
{rank 0/64} MD step = 280600 step time: 00:00:00.159206 Performance: 62.485 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:50:38,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280600 56120 150.02 -2014.7 16443 -18458 -18458 -0.00057146 -0.00064766 0.00081909 4.5478e+05 2024-05-08 15:50:54,606 INFO [main.py:798]
{rank 0/64} MD step = 280700 step time: 00:00:00.158317 Performance: 62.487 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:51:02,171 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 149.54 -2218.3 16389 -18608 -18608 -0.00068575 -0.0007048 0.00072385 4.5495e+05 2024-05-08 15:51:18,757 INFO [main.py:798]
{rank 0/64} MD step = 280800 step time: 00:00:00.161387 Performance: 62.490 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:51:27,157 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 150.37 -2157.3 16481 -18638 -18638 -0.00036193 -0.00072385 0.00072385 4.5508e+05 2024-05-08 15:51:43,971 INFO [main.py:798]
{rank 0/64} MD step = 280900 step time: 00:00:00.160314 Performance: 62.492 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:51:55,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280900 56180 152.11 -1755.1 16671 -18426 -18426 -0.00053336 -0.00060956 0.00073337 4.5529e+05 2024-05-08 15:52:11,980 INFO [main.py:798]
{rank 0/64} MD step = 281000 step time: 00:00:00.149474 Performance: 62.492 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:52:23,179 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 147.29 -2276.9 16143 -18420 -18420 -0.00080005 -0.0003905 0.00080005 4.5544e+05 2024-05-08 15:52:38,887 INFO [main.py:798]
{rank 0/64} MD step = 281100 step time: 00:00:00.151822 Performance: 62.492 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:52:51,108 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 150.18 -1896.3 16460 -18356 -18356 -0.00083814 -0.00064766 0.00051431 4.5559e+05 2024-05-08 15:53:07,112 INFO [main.py:798]
{rank 0/64} MD step = 281200 step time: 00:00:00.154203 Performance: 62.492 ns/day 0.384 hours/ns 3.616 steps/s 2024-05-08 15:53:15,113 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 150.1 -2047.3 16451 -18498 -18498 -0.00091434 -0.00076195 0.00074766 4.5577e+05 2024-05-08 15:53:30,725 INFO [main.py:798]
{rank 0/64} MD step = 281300 step time: 00:00:00.157395 Performance: 62.495 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 15:53:35,537 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 148.47 -2127.2 16273 -18400 -18400 -0.00081433 -0.00049527 0.00036193 4.5596e+05 2024-05-08 15:53:53,172 INFO [main.py:798]
{rank 0/64} MD step = 281400 step time: 00:00:00.160334 Performance: 62.499 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 15:53:59,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281400 56280 150.83 -1968.4 16531 -18500 -18500 -0.00059051 -0.00019049 0.00055241 4.5613e+05 2024-05-08 15:54:15,415 INFO [main.py:798]
{rank 0/64} MD step = 281500 step time: 00:00:00.160344 Performance: 62.504 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 15:54:22,426 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 150.4 -2270 16484 -18754 -18754 -0.00049527 -0.00045717 0.00080005 4.5627e+05 2024-05-08 15:54:38,521 INFO [main.py:798]
{rank 0/64} MD step = 281600 step time: 00:00:00.161014 Performance: 62.507 ns/day 0.384 hours/ns 3.617 steps/s 2024-05-08 15:54:45,587 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 149.32 -2075 16366 -18441 -18441 -0.00026668 -0.00055241 0.00056194 4.5647e+05 2024-05-08 15:55:01,924 INFO [main.py:798]
{rank 0/64} MD step = 281700 step time: 00:00:00.164040 Performance: 62.511 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 15:55:08,680 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 149.52 -1916.1 16388 -18304 -18304 -0.00030478 -0.00041907 0.00043812 4.5665e+05 2024-05-08 15:55:24,834 INFO [main.py:798]
{rank 0/64} MD step = 281800 step time: 00:00:00.154126 Performance: 62.515 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 15:55:31,812 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 149.9 -2083.8 16429 -18513 -18513 -0.000781 -0.00036193 0.00055241 4.5676e+05 2024-05-08 15:55:47,615 INFO [main.py:798]
{rank 0/64} MD step = 281900 step time: 00:00:00.143408 Performance: 62.518 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 15:55:58,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281900 56380 151.65 -1783.3 16621 -18404 -18404 -0.00057146 -0.00083814 0.00060956 4.5692e+05 2024-05-08 15:56:13,549 INFO [main.py:798]
{rank 0/64} MD step = 282000 step time: 00:00:00.146817 Performance: 62.520 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 15:56:19,819 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 152.01 -1707.9 16660 -18368 -18368 -0.00057146 -0.0007048 0.0005286 4.5704e+05 2024-05-08 15:56:35,211 INFO [main.py:798]
{rank 0/64} MD step = 282100 step time: 00:00:00.147475 Performance: 62.525 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 15:56:46,247 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 153.14 -1606.5 16784 -18390 -18390 -0.00063813 -0.00036193 0.00091434 4.5719e+05 2024-05-08 15:57:02,119 INFO [main.py:798]
{rank 0/64} MD step = 282200 step time: 00:00:00.155588 Performance: 62.525 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 15:57:10,727 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 151.27 -1652.8 16579 -18232 -18232 -0.00047622 -0.00086672 0.00072385 4.5736e+05 2024-05-08 15:57:26,828 INFO [main.py:798]
{rank 0/64} MD step = 282300 step time: 00:00:00.161527 Performance: 62.528 ns/day 0.384 hours/ns 3.618 steps/s 2024-05-08 15:57:37,719 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 149.92 -2044.1 16431 -18475 -18475 -0.00072385 -0.00083814 0.00060956 4.5747e+05 2024-05-08 15:57:54,270 INFO [main.py:798]
{rank 0/64} MD step = 282400 step time: 00:00:00.161204 Performance: 62.528 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 15:57:58,525 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 146.96 -2382 16107 -18489 -18489 -0.00085719 -0.00047622 0.00057146 4.5765e+05 2024-05-08 15:58:16,126 INFO [main.py:798]
{rank 0/64} MD step = 282500 step time: 00:00:00.166569 Performance: 62.532 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 15:58:23,924 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 151.86 -1784.1 16644 -18428 -18428 -0.00064766 -0.00032383 0.00064766 4.5783e+05 2024-05-08 15:58:39,118 INFO [main.py:798]
{rank 0/64} MD step = 282600 step time: 00:00:00.162939 Performance: 62.536 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 15:58:50,697 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 150.33 -1634.3 16476 -18110 -18110 -0.00083814 -0.00057146 0.00087624 4.5799e+05 2024-05-08 15:59:06,941 INFO [main.py:798]
{rank 0/64} MD step = 282700 step time: 00:00:00.170426 Performance: 62.536 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 15:59:14,506 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 150.16 -1883.2 16458 -18341 -18341 -0.00064766 -0.00030478 0.00030478 4.5816e+05 2024-05-08 15:59:30,021 INFO [main.py:798]
{rank 0/64} MD step = 282800 step time: 00:00:00.164542 Performance: 62.540 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 15:59:35,798 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 149.37 -1993.1 16371 -18365 -18365 -0.00090481 -0.00053336 0.00091434 4.5831e+05 2024-05-08 15:59:52,331 INFO [main.py:798]
{rank 0/64} MD step = 282900 step time: 00:00:00.165485 Performance: 62.544 ns/day 0.384 hours/ns 3.619 steps/s 2024-05-08 15:59:58,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282900 56580 151.22 -1867.8 16574 -18442 -18442 -0.00051431 -0.00018096 0.00060956 4.5843e+05 2024-05-08 16:00:14,968 INFO [main.py:798]
{rank 0/64} MD step = 283000 step time: 00:00:00.161512 Performance: 62.548 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 16:00:20,800 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 150.08 -1991.2 16449 -18440 -18440 -0.000781 -0.00087624 0.00049527 4.586e+05 2024-05-08 16:00:37,601 INFO [main.py:798]
{rank 0/64} MD step = 283100 step time: 00:00:00.151853 Performance: 62.552 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 16:00:48,413 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 146.29 -2454.6 16034 -18488 -18488 -0.00038097 -0.0007429 0.000781 4.5873e+05 2024-05-08 16:01:03,827 INFO [main.py:798]
{rank 0/64} MD step = 283200 step time: 00:00:00.159421 Performance: 62.553 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 16:01:11,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283200 56640 150.78 -1995.4 16525 -18521 -18521 -0.00072385 -0.00064766 0.00064766 4.5885e+05 2024-05-08 16:01:26,950 INFO [main.py:798]
{rank 0/64} MD step = 283300 step time: 00:00:00.158609 Performance: 62.557 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 16:01:38,673 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 148.67 -2384.1 16294 -18678 -18678 -0.000781 -0.00041907 0.00068575 4.5902e+05 2024-05-08 16:01:54,539 INFO [main.py:798]
{rank 0/64} MD step = 283400 step time: 00:00:00.156276 Performance: 62.557 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 16:02:01,156 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 152.01 -1712.4 16660 -18372 -18372 -0.00064766 -0.00053336 0.00045717 4.5922e+05 2024-05-08 16:02:17,627 INFO [main.py:798]
{rank 0/64} MD step = 283500 step time: 00:00:00.157286 Performance: 62.560 ns/day 0.384 hours/ns 3.620 steps/s 2024-05-08 16:02:22,694 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 149.01 -2488 16331 -18819 -18819 -0.00060956 -0.00053336 0.00028573 4.5936e+05 2024-05-08 16:02:38,518 INFO [main.py:798]
{rank 0/64} MD step = 283600 step time: 00:00:00.160801 Performance: 62.566 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 16:02:43,619 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 150.7 -2153.4 16517 -18671 -18671 -0.0010667 -0.00072385 0.000781 4.5949e+05 2024-05-08 16:03:00,830 INFO [main.py:798]
{rank 0/64} MD step = 283700 step time: 00:00:00.163118 Performance: 62.570 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 16:03:09,447 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 151.47 -1974.5 16601 -18576 -18576 -0.00060003 -0.000781 0.00057146 4.5967e+05 2024-05-08 16:03:25,374 INFO [main.py:798]
{rank 0/64} MD step = 283800 step time: 00:00:00.156267 Performance: 62.572 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 16:03:30,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283800 56760 150.1 -2160.9 16451 -18612 -18612 -0.00022858 -0.00049527 0.00055241 4.5985e+05 2024-05-08 16:03:48,017 INFO [main.py:798]
{rank 0/64} MD step = 283900 step time: 00:00:00.157371 Performance: 62.576 ns/day 0.384 hours/ns 3.621 steps/s 2024-05-08 16:03:54,397 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 151.35 -1750 16588 -18338 -18338 -0.00041907 -0.00053336 0.00038097 4.6009e+05 2024-05-08 16:04:09,913 INFO [main.py:798]
{rank 0/64} MD step = 284000 step time: 00:00:00.145771 Performance: 62.581 ns/day 0.384 hours/ns 3.622 steps/s 2024-05-08 16:04:15,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284000 56800 149.95 -1973.3 16434 -18408 -18408 -0.00062861 -0.00053336 0 4.6026e+05 2024-05-08 16:04:31,678 INFO [main.py:798]
{rank 0/64} MD step = 284100 step time: 00:00:00.149856 Performance: 62.585 ns/day 0.383 hours/ns 3.622 steps/s 2024-05-08 16:04:38,193 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 150.11 -1770 16452 -18222 -18222 -0.00080005 -0.00041907 0.00057146 4.6042e+05 2024-05-08 16:04:54,212 INFO [main.py:798]
{rank 0/64} MD step = 284200 step time: 00:00:00.145829 Performance: 62.589 ns/day 0.383 hours/ns 3.622 steps/s 2024-05-08 16:05:00,988 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 152.08 -1968.4 16668 -18637 -18637 -0.0006667 -0.00053336 0.00059051 4.6058e+05 2024-05-08 16:05:17,334 INFO [main.py:798]
{rank 0/64} MD step = 284300 step time: 00:00:00.144892 Performance: 62.593 ns/day 0.383 hours/ns 3.622 steps/s 2024-05-08 16:05:23,441 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 151.48 -1893.1 16602 -18495 -18495 -0.00045717 -0.000781 0.00040002 4.6078e+05 2024-05-08 16:05:39,810 INFO [main.py:798]
{rank 0/64} MD step = 284400 step time: 00:00:00.155980 Performance: 62.597 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:05:47,367 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 150.27 -1790.5 16470 -18260 -18260 -0.00038097 -0.00060956 0.00033335 4.6093e+05 2024-05-08 16:06:03,576 INFO [main.py:798]
{rank 0/64} MD step = 284500 step time: 00:00:00.156185 Performance: 62.600 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:06:09,129 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 151.22 -1659 16574 -18233 -18233 -0.00083814 -0.00043812 0.00083814 4.6107e+05 2024-05-08 16:06:25,448 INFO [main.py:798]
{rank 0/64} MD step = 284600 step time: 00:00:00.154649 Performance: 62.605 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:06:31,953 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 149.96 -1918.5 16435 -18354 -18354 -0.00053336 -0.00099053 0.0007048 4.6123e+05 2024-05-08 16:06:48,127 INFO [main.py:798]
{rank 0/64} MD step = 284700 step time: 00:00:00.155178 Performance: 62.609 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:06:58,678 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 153.24 -1787.9 16795 -18583 -18583 -0.00034288 -0.00053336 0.00062861 4.6137e+05 2024-05-08 16:07:14,388 INFO [main.py:798]
{rank 0/64} MD step = 284800 step time: 00:00:00.155416 Performance: 62.610 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:07:34,007 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 150.6 -1811.4 16506 -18318 -18318 -0.00051431 -0.00076195 0.00064766 4.6153e+05 2024-05-08 16:07:50,725 INFO [main.py:798]
{rank 0/64} MD step = 284900 step time: 00:00:00.160037 Performance: 62.603 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:07:55,243 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 149.99 -1835.9 16439 -18275 -18275 -0.00057146 -0.0007048 0.00062861 4.6168e+05 2024-05-08 16:08:12,901 INFO [main.py:798]
{rank 0/64} MD step = 285000 step time: 00:00:00.161029 Performance: 62.607 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:08:23,991 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 149.65 -1857.1 16402 -18259 -18259 -0.00034288 -0.0010667 0.00068575 4.6185e+05 2024-05-08 16:08:41,081 INFO [main.py:798]
{rank 0/64} MD step = 285100 step time: 00:00:00.159856 Performance: 62.607 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:08:47,631 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 150.39 -1880.5 16483 -18364 -18364 -0.000781 -0.00044764 0.00045717 4.6198e+05 2024-05-08 16:09:03,047 INFO [main.py:798]
{rank 0/64} MD step = 285200 step time: 00:00:00.163343 Performance: 62.611 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:09:11,441 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 150.54 -1843.3 16500 -18343 -18343 -0.00076195 -0.00072385 0.000781 4.6211e+05 2024-05-08 16:09:27,264 INFO [main.py:798]
{rank 0/64} MD step = 285300 step time: 00:00:00.167192 Performance: 62.614 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:09:37,160 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 149 -2025.1 16331 -18356 -18356 -0.00095243 -0.0006667 0.00060956 4.6225e+05 2024-05-08 16:09:52,813 INFO [main.py:798]
{rank 0/64} MD step = 285400 step time: 00:00:00.157670 Performance: 62.615 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 16:10:10,440 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 151.54 -1830.6 16609 -18440 -18440 -0.00061908 -0.00099053 0.00068575 4.624e+05 2024-05-08 16:10:25,836 INFO [main.py:798]
{rank 0/64} MD step = 285500 step time: 00:00:00.151360 Performance: 62.611 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:10:38,946 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 147.88 -2296.5 16208 -18505 -18505 -0.00076671 -0.00047622 -0.00026668 4.6258e+05 2024-05-08 16:10:54,555 INFO [main.py:798]
{rank 0/64} MD step = 285600 step time: 00:00:00.158460 Performance: 62.610 ns/day 0.383 hours/ns 3.623 steps/s 2024-05-08 16:11:01,353 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 149.02 -2255.4 16333 -18589 -18589 -0.00051431 -0.00083814 -9.5243e-05 4.6274e+05 2024-05-08 16:11:17,048 INFO [main.py:798]
{rank 0/64} MD step = 285700 step time: 00:00:00.159901 Performance: 62.614 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 16:11:23,722 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 148.42 -2105.2 16267 -18372 -18372 -0.00083814 -0.00076195 0.00041907 4.6296e+05 2024-05-08 16:11:39,383 INFO [main.py:798]
{rank 0/64} MD step = 285800 step time: 00:00:00.142291 Performance: 62.618 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 16:11:46,412 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 149.1 -2158.8 16342 -18501 -18501 -0.00045717 -0.00059527 0.00049527 4.6306e+05 2024-05-08 16:12:02,466 INFO [main.py:798]
{rank 0/64} MD step = 285900 step time: 00:00:00.151234 Performance: 62.622 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 16:12:08,206 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 148.99 -2256.7 16330 -18586 -18586 -0.00072385 -0.00053336 0.00034288 4.6319e+05 2024-05-08 16:12:25,079 INFO [main.py:798]
{rank 0/64} MD step = 286000 step time: 00:00:00.145995 Performance: 62.626 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 16:12:31,046 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 150.33 -2088.2 16476 -18565 -18565 -0.00071433 -0.0006667 0.00059051 4.6335e+05 2024-05-08 16:12:47,572 INFO [main.py:798]
{rank 0/64} MD step = 286100 step time: 00:00:00.145476 Performance: 62.630 ns/day 0.383 hours/ns 3.624 steps/s 2024-05-08 16:12:55,740 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 149.41 -1869.4 16376 -18245 -18245 -0.00049527 -0.00076195 0.00049527 4.6353e+05 2024-05-08 16:13:11,787 INFO [main.py:798]
{rank 0/64} MD step = 286200 step time: 00:00:00.135207 Performance: 62.633 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:13:18,047 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 149.37 -2096.2 16371 -18467 -18467 -0.00053336 -0.00076195 0.00068575 4.6367e+05 2024-05-08 16:13:34,389 INFO [main.py:798]
{rank 0/64} MD step = 286300 step time: 00:00:00.153499 Performance: 62.637 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:13:41,211 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 149.61 -1978.7 16398 -18376 -18376 -0.00030478 -0.0004286 0.00091434 4.6389e+05 2024-05-08 16:13:56,988 INFO [main.py:798]
{rank 0/64} MD step = 286400 step time: 00:00:00.145370 Performance: 62.641 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:14:03,647 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 150.44 -1707.2 16488 -18195 -18195 -0.00050003 -0.00062861 0.00076195 4.6401e+05 2024-05-08 16:14:19,687 INFO [main.py:798]
{rank 0/64} MD step = 286500 step time: 00:00:00.143112 Performance: 62.645 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:14:25,580 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 150.19 -1885.2 16461 -18347 -18347 -0.00072385 -0.00081909 0.00041907 4.6414e+05 2024-05-08 16:14:41,426 INFO [main.py:798]
{rank 0/64} MD step = 286600 step time: 00:00:00.153704 Performance: 62.649 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:14:47,959 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 151.2 -1626.5 16572 -18198 -18198 -0.00045717 -0.00076195 0.00064766 4.6433e+05 2024-05-08 16:15:03,933 INFO [main.py:798]
{rank 0/64} MD step = 286700 step time: 00:00:00.154695 Performance: 62.653 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:15:10,136 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 149.92 -2026.7 16432 -18458 -18458 -0.00059051 -0.00086672 0.0007048 4.6451e+05 2024-05-08 16:15:26,298 INFO [main.py:798]
{rank 0/64} MD step = 286800 step time: 00:00:00.174695 Performance: 62.657 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:15:33,384 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 152.9 -1560.9 16758 -18319 -18319 -0.00038097 -0.0006667 0.00060956 4.6468e+05 2024-05-08 16:15:49,499 INFO [main.py:798]
{rank 0/64} MD step = 286900 step time: 00:00:00.160548 Performance: 62.661 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:15:53,223 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 148.66 -2132.5 16293 -18425 -18425 -0.00051431 -0.00038097 0.00045717 4.6487e+05 2024-05-08 16:16:11,343 INFO [main.py:798]
{rank 0/64} MD step = 287000 step time: 00:00:00.159988 Performance: 62.665 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:16:17,674 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 149.78 -1900.3 16416 -18316 -18316 -0.0007048 -0.00064766 0.00068575 4.6506e+05 2024-05-08 16:16:32,202 INFO [main.py:798]
{rank 0/64} MD step = 287100 step time: 00:00:00.135875 Performance: 62.671 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 16:17:27,733 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 149.78 -2011.2 16416 -18427 -18427 -0.000781 -0.00085719 0.00056194 4.652e+05 2024-05-08 16:17:44,575 INFO [main.py:798]
{rank 0/64} MD step = 287200 step time: 00:00:00.164467 Performance: 62.635 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:17:51,447 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 147.1 -2312.2 16122 -18435 -18435 -0.00075242 -0.00076195 0.00060956 4.6533e+05 2024-05-08 16:18:07,269 INFO [main.py:798]
{rank 0/64} MD step = 287300 step time: 00:00:00.155792 Performance: 62.639 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:18:13,901 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 150.73 -1940 16520 -18460 -18460 -0.00095243 -0.00080005 0.00059051 4.6545e+05 2024-05-08 16:18:29,587 INFO [main.py:798]
{rank 0/64} MD step = 287400 step time: 00:00:00.160631 Performance: 62.643 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:18:35,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287400 57480 151.77 -1682.1 16635 -18317 -18317 -0.00064766 -0.00087624 0.00022858 4.6561e+05 2024-05-08 16:18:56,079 INFO [main.py:798]
{rank 0/64} MD step = 287500 step time: 00:00:00.148734 Performance: 62.644 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:19:08,635 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 149.92 -1726.1 16432 -18158 -18158 -0.0006667 -0.0006667 0.00054289 4.6579e+05 2024-05-08 16:19:27,211 INFO [main.py:798]
{rank 0/64} MD step = 287600 step time: 00:00:00.150867 Performance: 62.641 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:19:36,108 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 151.28 -1731.1 16581 -18312 -18312 -0.00064766 -0.00060956 0.00040002 4.6589e+05 2024-05-08 16:19:52,376 INFO [main.py:798]
{rank 0/64} MD step = 287700 step time: 00:00:00.160977 Performance: 62.643 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:19:59,413 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 149.1 -2045.3 16341 -18386 -18386 -0.00054289 -0.00057146 0.00064766 4.6608e+05 2024-05-08 16:20:15,543 INFO [main.py:798]
{rank 0/64} MD step = 287800 step time: 00:00:00.158115 Performance: 62.647 ns/day 0.383 hours/ns 3.625 steps/s 2024-05-08 16:20:21,795 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 152.61 -1451.9 16726 -18178 -18178 -0.000781 -0.00055241 0.00076195 4.6626e+05 2024-05-08 16:20:38,132 INFO [main.py:798]
{rank 0/64} MD step = 287900 step time: 00:00:00.153042 Performance: 62.651 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:20:49,385 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 150.87 -1926.7 16536 -18462 -18462 -0.00057146 -0.00060956 0.00099053 4.6639e+05 2024-05-08 16:21:05,416 INFO [main.py:798]
{rank 0/64} MD step = 288000 step time: 00:00:00.155394 Performance: 62.651 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:21:12,058 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 149.98 -1736.8 16438 -18175 -18175 -0.00068575 -0.00072385 0.00080481 4.6656e+05 2024-05-08 16:21:28,821 INFO [main.py:798]
{rank 0/64} MD step = 288100 step time: 00:00:00.153084 Performance: 62.654 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:21:34,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288100 57620 150.85 -1867.8 16534 -18402 -18402 -0.00053336 -0.00043812 0.00060956 4.6674e+05 2024-05-08 16:21:50,852 INFO [main.py:798]
{rank 0/64} MD step = 288200 step time: 00:00:00.155775 Performance: 62.659 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:22:05,203 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 150.51 -2061.2 16496 -18558 -18558 -0.00038097 -0.00060956 0.0007048 4.6688e+05 2024-05-08 16:22:23,522 INFO [main.py:798]
{rank 0/64} MD step = 288300 step time: 00:00:00.155081 Performance: 62.655 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:22:29,888 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 149.17 -2136.8 16350 -18486 -18486 -0.00099053 -0.00085719 0.00051431 4.671e+05 2024-05-08 16:22:46,015 INFO [main.py:798]
{rank 0/64} MD step = 288400 step time: 00:00:00.152031 Performance: 62.659 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:22:52,798 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 150.58 -1894.9 16504 -18399 -18399 -0.00026668 -0.00053336 -0.00030478 4.6722e+05 2024-05-08 16:23:08,648 INFO [main.py:798]
{rank 0/64} MD step = 288500 step time: 00:00:00.151290 Performance: 62.662 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:23:17,274 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 148.11 -2236.9 16233 -18469 -18469 -0.00087624 -0.00062861 0.00040478 4.674e+05 2024-05-08 16:23:33,108 INFO [main.py:798]
{rank 0/64} MD step = 288600 step time: 00:00:00.157672 Performance: 62.665 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:23:46,177 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 149.25 -2014.5 16358 -18373 -18373 -0.00060956 -0.00022858 0.0007429 4.6756e+05 2024-05-08 16:24:01,665 INFO [main.py:798]
{rank 0/64} MD step = 288700 step time: 00:00:00.159000 Performance: 62.664 ns/day 0.383 hours/ns 3.626 steps/s 2024-05-08 16:24:08,935 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 151.18 -1818.3 16570 -18388 -18388 -0.00060956 -0.00080005 0.00057146 4.6771e+05 2024-05-08 16:24:24,429 INFO [main.py:798]
{rank 0/64} MD step = 288800 step time: 00:00:00.162585 Performance: 62.668 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 16:24:32,305 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 148.84 -2007.7 16313 -18320 -18320 -0.00072385 -0.00093339 0.00076195 4.6788e+05 2024-05-08 16:24:48,422 INFO [main.py:798]
{rank 0/64} MD step = 288900 step time: 00:00:00.159895 Performance: 62.671 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 16:24:57,717 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 150.81 -1785.9 16529 -18315 -18315 -0.00081909 -0.00068575 0.00034288 4.6806e+05 2024-05-08 16:25:12,864 INFO [main.py:798]
{rank 0/64} MD step = 289000 step time: 00:00:00.157612 Performance: 62.673 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 16:25:20,305 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 149.11 -1931.3 16343 -18274 -18274 -0.00057146 -0.00030478 0.00072385 4.6824e+05 2024-05-08 16:25:35,985 INFO [main.py:798]
{rank 0/64} MD step = 289100 step time: 00:00:00.166165 Performance: 62.677 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 16:25:41,469 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 150.31 -1937.4 16474 -18411 -18411 -0.00028573 -0.00083814 0.00045717 4.6838e+05 2024-05-08 16:25:57,465 INFO [main.py:798]
{rank 0/64} MD step = 289200 step time: 00:00:00.169417 Performance: 62.681 ns/day 0.383 hours/ns 3.627 steps/s 2024-05-08 16:26:04,066 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 148.23 -1933.7 16246 -18180 -18180 -0.00060956 -0.00049527 0.00068575 4.6859e+05 2024-05-08 16:26:19,970 INFO [main.py:798]
{rank 0/64} MD step = 289300 step time: 00:00:00.165894 Performance: 62.685 ns/day 0.383 hours/ns 3.628 steps/s 2024-05-08 16:26:27,323 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 151.42 -1806.2 16596 -18402 -18402 -0.0006667 -0.00045717 0.00083814 4.687e+05 2024-05-08 16:26:42,508 INFO [main.py:798]
{rank 0/64} MD step = 289400 step time: 00:00:00.159549 Performance: 62.689 ns/day 0.383 hours/ns 3.628 steps/s 2024-05-08 16:26:47,995 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 150.27 -1851.8 16470 -18322 -18322 -0.00080005 -0.00047622 0.00053336 4.6885e+05 2024-05-08 16:27:04,267 INFO [main.py:798]
{rank 0/64} MD step = 289500 step time: 00:00:00.170462 Performance: 62.694 ns/day 0.383 hours/ns 3.628 steps/s 2024-05-08 16:27:12,111 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 151.17 -1498.3 16569 -18067 -18067 -0.00076195 -0.00064766 0.00073337 4.6909e+05 2024-05-08 16:27:27,782 INFO [main.py:798]
{rank 0/64} MD step = 289600 step time: 00:00:00.168696 Performance: 62.697 ns/day 0.383 hours/ns 3.628 steps/s 2024-05-08 16:27:34,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289600 57920 151.72 -1665.8 16629 -18294 -18294 -0.00057146 -0.00068575 0.00062861 4.6922e+05 2024-05-08 16:27:50,310 INFO [main.py:798]
{rank 0/64} MD step = 289700 step time: 00:00:00.159027 Performance: 62.701 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 16:27:58,850 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 150.62 -1784.2 16508 -18292 -18292 -0.00076195 -0.0006667 0.00034288 4.6937e+05 2024-05-08 16:28:13,851 INFO [main.py:798]
{rank 0/64} MD step = 289800 step time: 00:00:00.153761 Performance: 62.704 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 16:28:21,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289800 57960 149.42 -1959.6 16376 -18336 -18336 -0.00028573 -0.00068575 0.00072385 4.6954e+05 2024-05-08 16:28:37,594 INFO [main.py:798]
{rank 0/64} MD step = 289900 step time: 00:00:00.160118 Performance: 62.707 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 16:28:43,879 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 148.23 -2214.2 16246 -18461 -18461 -0.00057146 -0.00076195 0.00053336 4.6964e+05 2024-05-08 16:29:00,315 INFO [main.py:798]
{rank 0/64} MD step = 290000 step time: 00:00:00.163692 Performance: 62.711 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 16:29:06,806 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 151.07 -1629.4 16558 -18187 -18187 -0.00076195 -0.00042383 0.00068575 4.6982e+05 2024-05-08 16:29:23,213 INFO [main.py:798]
{rank 0/64} MD step = 290100 step time: 00:00:00.152918 Performance: 62.715 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 16:29:34,807 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 149.59 -2042.9 16395 -18438 -18438 -0.000781 -0.00057146 0.00060956 4.7e+05 2024-05-08 16:29:50,712 INFO [main.py:798]
{rank 0/64} MD step = 290200 step time: 00:00:00.160632 Performance: 62.715 ns/day 0.383 hours/ns 3.629 steps/s 2024-05-08 16:29:57,333 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 149.05 -1930.3 16336 -18266 -18266 -0.00091434 -0.00059051 0.00053336 4.7016e+05 2024-05-08 16:30:13,686 INFO [main.py:798]
{rank 0/64} MD step = 290300 step time: 00:00:00.160412 Performance: 62.718 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 16:30:20,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290300 58060 150.36 -1907.5 16480 -18387 -18387 -0.00064766 -0.00049527 0.00052384 4.7033e+05 2024-05-08 16:30:36,422 INFO [main.py:798]
{rank 0/64} MD step = 290400 step time: 00:00:00.158263 Performance: 62.722 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 16:30:42,878 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 149.3 -1872.2 16363 -18235 -18235 -0.00043812 -0.00058099 0.00057146 4.7049e+05 2024-05-08 16:30:58,277 INFO [main.py:798]
{rank 0/64} MD step = 290500 step time: 00:00:00.163806 Performance: 62.727 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 16:31:06,814 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 150.03 -1865.1 16443 -18308 -18308 -0.00068575 -0.0007429 0.00053336 4.7065e+05 2024-05-08 16:31:22,845 INFO [main.py:798]
{rank 0/64} MD step = 290600 step time: 00:00:00.154043 Performance: 62.729 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 16:31:30,020 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 150.06 -1930.1 16447 -18377 -18377 -0.00068575 -0.00089529 0.00075719 4.708e+05 2024-05-08 16:31:46,076 INFO [main.py:798]
{rank 0/64} MD step = 290700 step time: 00:00:00.154195 Performance: 62.732 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 16:31:52,129 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 152.26 -1668.9 16688 -18357 -18357 -0.00060956 -0.00068575 0.00049527 4.7099e+05 2024-05-08 16:32:11,027 INFO [main.py:798]
{rank 0/64} MD step = 290800 step time: 00:00:00.152598 Performance: 62.734 ns/day 0.383 hours/ns 3.630 steps/s 2024-05-08 16:32:17,971 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 151.35 -1848.7 16588 -18436 -18436 -0.00082862 -0.00097148 0.0007429 4.711e+05 2024-05-08 16:32:34,502 INFO [main.py:798]
{rank 0/64} MD step = 290900 step time: 00:00:00.154401 Performance: 62.737 ns/day 0.383 hours/ns 3.631 steps/s 2024-05-08 16:32:41,878 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 148.73 -2284.5 16301 -18585 -18585 -0.00051431 -0.00041907 0.00076195 4.7127e+05 2024-05-08 16:32:57,985 INFO [main.py:798]
{rank 0/64} MD step = 291000 step time: 00:00:00.145925 Performance: 62.741 ns/day 0.383 hours/ns 3.631 steps/s 2024-05-08 16:33:03,942 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 149.17 -1891.1 16349 -18240 -18240 -0.00051431 -0.00055241 0.00038097 4.7144e+05 2024-05-08 16:33:19,856 INFO [main.py:798]
{rank 0/64} MD step = 291100 step time: 00:00:00.148853 Performance: 62.745 ns/day 0.382 hours/ns 3.631 steps/s 2024-05-08 16:33:25,373 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 149.5 -1981.5 16386 -18367 -18367 -0.00064766 -0.00072385 0.00048574 4.7159e+05 2024-05-08 16:33:41,159 INFO [main.py:798]
{rank 0/64} MD step = 291200 step time: 00:00:00.144298 Performance: 62.750 ns/day 0.382 hours/ns 3.631 steps/s 2024-05-08 16:33:47,229 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 148.82 -2032.1 16311 -18344 -18344 -0.00055241 -0.00034288 0.00045717 4.7177e+05 2024-05-08 16:34:03,270 INFO [main.py:798]
{rank 0/64} MD step = 291300 step time: 00:00:00.154639 Performance: 62.754 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 16:34:09,343 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 148.26 -2339.6 16249 -18589 -18589 -0.00058099 -0.00060956 0.00050479 4.7192e+05 2024-05-08 16:34:25,281 INFO [main.py:798]
{rank 0/64} MD step = 291400 step time: 00:00:00.154634 Performance: 62.759 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 16:34:31,759 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 149.08 -2247.1 16339 -18586 -18586 -0.00057146 -0.00057146 0.00091434 4.7204e+05 2024-05-08 16:34:47,363 INFO [main.py:798]
{rank 0/64} MD step = 291500 step time: 00:00:00.154487 Performance: 62.763 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 16:34:53,324 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 150.39 -2176.9 16482 -18659 -18659 -0.00057146 -0.00045717 0.00040002 4.7223e+05 2024-05-08 16:35:09,583 INFO [main.py:798]
{rank 0/64} MD step = 291600 step time: 00:00:00.154376 Performance: 62.767 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 16:35:20,070 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 150.25 -1890.7 16468 -18358 -18358 -0.00053336 -0.00049527 0.00038097 4.7239e+05 2024-05-08 16:35:36,274 INFO [main.py:798]
{rank 0/64} MD step = 291700 step time: 00:00:00.191152 Performance: 62.768 ns/day 0.382 hours/ns 3.632 steps/s 2024-05-08 16:35:42,976 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 150.02 -1986.9 16443 -18429 -18429 -0.00032383 -0.00054765 0.00036193 4.7257e+05 2024-05-08 16:35:59,576 INFO [main.py:798]
{rank 0/64} MD step = 291800 step time: 00:00:00.168711 Performance: 62.771 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 16:36:06,073 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 149.87 -2035.8 16426 -18462 -18462 -0.00036193 -0.00078576 0.00076195 4.7275e+05 2024-05-08 16:36:21,500 INFO [main.py:798]
{rank 0/64} MD step = 291900 step time: 00:00:00.166723 Performance: 62.775 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 16:36:26,279 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 151.53 -1794.1 16608 -18402 -18402 -0.00083814 -0.00060956 0.00049527 4.7293e+05 2024-05-08 16:36:42,164 INFO [main.py:798]
{rank 0/64} MD step = 292000 step time: 00:00:00.160459 Performance: 62.781 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 16:36:49,268 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 149.91 -2195.2 16430 -18625 -18625 -0.00060956 -0.00060003 7.6195e-05 4.7306e+05 2024-05-08 16:37:04,939 INFO [main.py:798]
{rank 0/64} MD step = 292100 step time: 00:00:00.149634 Performance: 62.784 ns/day 0.382 hours/ns 3.633 steps/s 2024-05-08 16:37:13,659 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 151.2 -1943.8 16572 -18516 -18516 -0.00052384 -0.00087624 0.00085719 4.732e+05 2024-05-08 16:37:29,142 INFO [main.py:798]
{rank 0/64} MD step = 292200 step time: 00:00:00.160473 Performance: 62.787 ns/day 0.382 hours/ns 3.634 steps/s 2024-05-08 16:37:35,837 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 148.73 -2195.5 16301 -18497 -18497 -0.00095243 -0.00079052 0.00052384 4.7337e+05 2024-05-08 16:37:51,473 INFO [main.py:798]
{rank 0/64} MD step = 292300 step time: 00:00:00.159240 Performance: 62.791 ns/day 0.382 hours/ns 3.634 steps/s 2024-05-08 16:37:57,838 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 151.4 -1818.8 16594 -18412 -18412 -0.00080005 -0.00049527 0.00057146 4.736e+05 2024-05-08 16:38:13,595 INFO [main.py:798]
{rank 0/64} MD step = 292400 step time: 00:00:00.149319 Performance: 62.795 ns/day 0.382 hours/ns 3.634 steps/s 2024-05-08 16:38:18,496 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 149.98 -2015.9 16438 -18454 -18454 -0.00059051 -0.00064766 0.00055241 4.7377e+05 2024-05-08 16:38:38,265 INFO [main.py:798]
{rank 0/64} MD step = 292500 step time: 00:00:00.145006 Performance: 62.797 ns/day 0.382 hours/ns 3.634 steps/s 2024-05-08 16:38:43,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292500 58500 150.41 -2185 16485 -18670 -18670 -0.0006667 -0.00063813 0.00057146 4.7386e+05 2024-05-08 16:38:59,609 INFO [main.py:798]
{rank 0/64} MD step = 292600 step time: 00:00:00.143190 Performance: 62.802 ns/day 0.382 hours/ns 3.634 steps/s 2024-05-08 16:39:06,435 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 151.95 -1793.4 16654 -18447 -18447 -0.00045717 -0.00030478 0.00083814 4.7404e+05 2024-05-08 16:39:22,549 INFO [main.py:798]
{rank 0/64} MD step = 292700 step time: 00:00:00.144583 Performance: 62.806 ns/day 0.382 hours/ns 3.635 steps/s 2024-05-08 16:39:29,860 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 148.97 -2336.4 16328 -18664 -18664 -0.00072385 -0.00060003 0.00029525 4.7419e+05 2024-05-08 16:39:45,992 INFO [main.py:798]
{rank 0/64} MD step = 292800 step time: 00:00:00.151334 Performance: 62.809 ns/day 0.382 hours/ns 3.635 steps/s 2024-05-08 16:39:54,104 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 150.01 -2051.7 16441 -18493 -18493 -0.000781 -0.00036193 0.00072385 4.7436e+05 2024-05-08 16:40:09,893 INFO [main.py:798]
{rank 0/64} MD step = 292900 step time: 00:00:00.157602 Performance: 62.812 ns/day 0.382 hours/ns 3.635 steps/s 2024-05-08 16:40:15,364 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 147.35 -2151.4 16149 -18301 -18301 -0.00019049 -0.00083814 0.00069528 4.7452e+05 2024-05-08 16:40:31,461 INFO [main.py:798]
{rank 0/64} MD step = 293000 step time: 00:00:00.157741 Performance: 62.816 ns/day 0.382 hours/ns 3.635 steps/s 2024-05-08 16:40:37,199 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 150.86 -1846.8 16534 -18381 -18381 -0.00034288 -0.0010667 0.00057146 4.7468e+05 2024-05-08 16:40:53,140 INFO [main.py:798]
{rank 0/64} MD step = 293100 step time: 00:00:00.160311 Performance: 62.821 ns/day 0.382 hours/ns 3.635 steps/s 2024-05-08 16:40:57,630 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 147.74 -2129.7 16192 -18322 -18322 -0.00057146 -0.00083814 0.00057146 4.7486e+05 2024-05-08 16:41:14,858 INFO [main.py:798]
{rank 0/64} MD step = 293200 step time: 00:00:00.152226 Performance: 62.826 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 16:41:21,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293200 58640 148.89 -1993.1 16318 -18311 -18311 -0.00053336 -0.00060956 0.00062861 4.7504e+05 2024-05-08 16:41:38,224 INFO [main.py:798]
{rank 0/64} MD step = 293300 step time: 00:00:00.155571 Performance: 62.829 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 16:41:45,307 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 151.44 -1905.9 16598 -18504 -18504 -0.00045717 -0.00053336 0.00038097 4.752e+05 2024-05-08 16:42:01,543 INFO [main.py:798]
{rank 0/64} MD step = 293400 step time: 00:00:00.152226 Performance: 62.832 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 16:42:09,062 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 149.73 -1943.5 16411 -18355 -18355 -0.0007048 -0.00069052 0.00030478 4.7538e+05 2024-05-08 16:42:25,610 INFO [main.py:798]
{rank 0/64} MD step = 293500 step time: 00:00:00.150510 Performance: 62.835 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 16:42:32,247 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 149.57 -2275.6 16394 -18669 -18669 -0.00068575 -0.00057146 3.8097e-05 4.7549e+05 2024-05-08 16:42:50,421 INFO [main.py:798]
{rank 0/64} MD step = 293600 step time: 00:00:00.144509 Performance: 62.837 ns/day 0.382 hours/ns 3.636 steps/s 2024-05-08 16:42:58,375 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 147.79 -2295 16198 -18493 -18493 -0.00093339 -0.00057146 0.00034288 4.7568e+05 2024-05-08 16:43:14,645 INFO [main.py:798]
{rank 0/64} MD step = 293700 step time: 00:00:00.167653 Performance: 62.839 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 16:43:21,413 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 148.92 -2056.5 16322 -18378 -18378 -0.00051431 -0.00072385 0.00063813 4.7588e+05 2024-05-08 16:43:36,180 INFO [main.py:798]
{rank 0/64} MD step = 293800 step time: 00:00:00.184616 Performance: 62.844 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 16:43:45,207 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 150.21 -1960.2 16463 -18423 -18423 -0.00041907 -0.00080005 0.0006667 4.7603e+05 2024-05-08 16:44:00,774 INFO [main.py:798]
{rank 0/64} MD step = 293900 step time: 00:00:00.168464 Performance: 62.846 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 16:44:08,054 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 150.4 -2102.7 16484 -18586 -18586 -0.0006667 -0.00091434 0.00057146 4.7621e+05 2024-05-08 16:44:23,650 INFO [main.py:798]
{rank 0/64} MD step = 294000 step time: 00:00:00.163372 Performance: 62.850 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 16:44:30,179 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 152.5 -1505 16714 -18219 -18219 -0.00091434 -0.00083814 0.00053336 4.7638e+05 2024-05-08 16:44:45,518 INFO [main.py:798]
{rank 0/64} MD step = 294100 step time: 00:00:00.160056 Performance: 62.854 ns/day 0.382 hours/ns 3.637 steps/s 2024-05-08 16:44:52,350 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 148.3 -2219.2 16253 -18473 -18473 -0.00068575 -0.00095243 0.00076195 4.7652e+05 2024-05-08 16:45:07,797 INFO [main.py:798]
{rank 0/64} MD step = 294200 step time: 00:00:00.165704 Performance: 62.858 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 16:45:12,991 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 149.04 -1918.9 16335 -18254 -18254 -0.00047622 -0.00057146 0.00018096 4.7671e+05 2024-05-08 16:45:32,740 INFO [main.py:798]
{rank 0/64} MD step = 294300 step time: 00:00:00.170344 Performance: 62.860 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 16:45:37,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294300 58860 148.34 -2223.7 16259 -18482 -18482 -0.00048574 -0.00049527 0.00091434 4.7684e+05 2024-05-08 16:45:53,714 INFO [main.py:798]
{rank 0/64} MD step = 294400 step time: 00:00:00.164462 Performance: 62.865 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 16:46:00,459 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 151.88 -1735.7 16646 -18382 -18382 -0.00030478 -0.00045717 0.00036193 4.7702e+05 2024-05-08 16:46:16,097 INFO [main.py:798]
{rank 0/64} MD step = 294500 step time: 00:00:00.162290 Performance: 62.869 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 16:46:26,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294500 58900 152.29 -1625.5 16691 -18317 -18317 -0.00047622 -0.00038097 0.00058099 4.7721e+05 2024-05-08 16:46:42,543 INFO [main.py:798]
{rank 0/64} MD step = 294600 step time: 00:00:00.162780 Performance: 62.870 ns/day 0.382 hours/ns 3.638 steps/s 2024-05-08 16:46:48,883 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 151.24 -1421.1 16577 -17998 -17998 -0.00040002 -0.00041907 0.00041907 4.774e+05 2024-05-08 16:47:04,947 INFO [main.py:798]
{rank 0/64} MD step = 294700 step time: 00:00:00.162048 Performance: 62.874 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 16:47:10,553 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 151.22 -1625.3 16573 -18199 -18199 -0.00036193 -0.00030478 0.00077147 4.7757e+05 2024-05-08 16:47:26,173 INFO [main.py:798]
{rank 0/64} MD step = 294800 step time: 00:00:00.186622 Performance: 62.879 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 16:47:31,551 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 150.04 -2161 16445 -18606 -18606 -0.0010667 -0.00046669 -0.00015239 4.7771e+05 2024-05-08 16:47:47,486 INFO [main.py:798]
{rank 0/64} MD step = 294900 step time: 00:00:00.155051 Performance: 62.884 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 16:47:54,430 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 150.32 -2072.5 16475 -18547 -18547 -0.0006667 -0.00097148 0.00034288 4.7788e+05 2024-05-08 16:48:11,493 INFO [main.py:798]
{rank 0/64} MD step = 295000 step time: 00:00:00.161337 Performance: 62.886 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 16:48:17,593 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 149.45 -2181.3 16380 -18561 -18561 -0.00022858 -0.00061908 0.00026668 4.7802e+05 2024-05-08 16:48:33,649 INFO [main.py:798]
{rank 0/64} MD step = 295100 step time: 00:00:00.157502 Performance: 62.890 ns/day 0.382 hours/ns 3.639 steps/s 2024-05-08 16:48:38,428 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 150.51 -2185.8 16496 -18681 -18681 -0.00085719 -0.00064766 0.00038097 4.7815e+05 2024-05-08 16:48:54,585 INFO [main.py:798]
{rank 0/64} MD step = 295200 step time: 00:00:00.162891 Performance: 62.896 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 16:49:00,660 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 150.25 -2068.5 16468 -18536 -18536 -0.00080005 -0.00076195 0.00064766 4.7833e+05 2024-05-08 16:49:17,167 INFO [main.py:798]
{rank 0/64} MD step = 295300 step time: 00:00:00.160749 Performance: 62.899 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 16:49:23,481 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 147.98 -2327.6 16219 -18547 -18547 -0.00082862 -0.00077147 0.00034288 4.7849e+05 2024-05-08 16:49:39,797 INFO [main.py:798]
{rank 0/64} MD step = 295400 step time: 00:00:00.152313 Performance: 62.903 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 16:49:51,145 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 149.81 -2178.5 16420 -18598 -18598 -0.00053336 -0.00060956 0.00060956 4.7865e+05 2024-05-08 16:50:08,384 INFO [main.py:798]
{rank 0/64} MD step = 295500 step time: 00:00:00.172951 Performance: 62.902 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 16:50:18,924 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 149.58 -2064.1 16394 -18458 -18458 -0.00026668 -0.00081909 0.00055241 4.7883e+05 2024-05-08 16:50:34,838 INFO [main.py:798]
{rank 0/64} MD step = 295600 step time: 00:00:00.157035 Performance: 62.903 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 16:50:41,647 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 150.91 -1944.6 16540 -18484 -18484 -0.00034288 -0.00064766 0.00036193 4.7898e+05 2024-05-08 16:50:57,588 INFO [main.py:798]
{rank 0/64} MD step = 295700 step time: 00:00:00.165250 Performance: 62.907 ns/day 0.382 hours/ns 3.640 steps/s 2024-05-08 16:51:03,429 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 151.41 -1731.2 16594 -18326 -18326 -0.00083814 -0.00041907 -0.00010477 4.7915e+05 2024-05-08 16:51:19,215 INFO [main.py:798]
{rank 0/64} MD step = 295800 step time: 00:00:00.156181 Performance: 62.911 ns/day 0.381 hours/ns 3.641 steps/s 2024-05-08 16:51:24,782 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 147.06 -2075.1 16118 -18193 -18193 -0.00045717 -0.00034288 0.00095243 4.7929e+05 2024-05-08 16:51:40,679 INFO [main.py:798]
{rank 0/64} MD step = 295900 step time: 00:00:00.158270 Performance: 62.916 ns/day 0.381 hours/ns 3.641 steps/s 2024-05-08 16:51:49,110 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 149.39 -1984.9 16373 -18358 -18358 -0.00057146 -0.00022858 0.00045717 4.7937e+05 2024-05-08 16:52:04,390 INFO [main.py:798]
{rank 0/64} MD step = 296000 step time: 00:00:00.163956 Performance: 62.919 ns/day 0.381 hours/ns 3.641 steps/s 2024-05-08 16:52:09,536 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 150.69 -1926 16516 -18442 -18442 -0.0007429 -0.00047622 0.00076195 4.7951e+05 2024-05-08 16:52:27,009 INFO [main.py:798]
{rank 0/64} MD step = 296100 step time: 00:00:00.157540 Performance: 62.922 ns/day 0.381 hours/ns 3.641 steps/s 2024-05-08 16:52:34,266 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 152.1 -1679.3 16670 -18349 -18349 -0.00060956 -0.00041907 0.00064766 4.7966e+05 2024-05-08 16:52:49,792 INFO [main.py:798]
{rank 0/64} MD step = 296200 step time: 00:00:00.166395 Performance: 62.926 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 16:52:56,203 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 149.7 -1938.1 16408 -18346 -18346 -0.00045717 -0.00040002 0.00053336 4.7986e+05 2024-05-08 16:53:12,026 INFO [main.py:798]
{rank 0/64} MD step = 296300 step time: 00:00:00.151482 Performance: 62.930 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 16:53:16,328 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 152.45 -1667.7 16709 -18376 -18376 -0.00083814 -0.00090481 0.00040955 4.8e+05 2024-05-08 16:53:33,657 INFO [main.py:798]
{rank 0/64} MD step = 296400 step time: 00:00:00.158815 Performance: 62.935 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 16:53:39,114 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 148.22 -2091 16245 -18336 -18336 -0.00077147 -0.00080005 0.00082862 4.8018e+05 2024-05-08 16:53:54,996 INFO [main.py:798]
{rank 0/64} MD step = 296500 step time: 00:00:00.158858 Performance: 62.939 ns/day 0.381 hours/ns 3.642 steps/s 2024-05-08 16:54:00,703 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 149.7 -1919.3 16407 -18327 -18327 -0.00060956 -0.000781 0.00085719 4.803e+05 2024-05-08 16:54:16,340 INFO [main.py:798]
{rank 0/64} MD step = 296600 step time: 00:00:00.167271 Performance: 62.944 ns/day 0.381 hours/ns 3.643 steps/s 2024-05-08 16:54:23,358 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 150.54 -1983.9 16499 -18483 -18483 -0.00053336 -0.00053336 0.00090481 4.8043e+05 2024-05-08 16:54:38,808 INFO [main.py:798]
{rank 0/64} MD step = 296700 step time: 00:00:00.155513 Performance: 62.948 ns/day 0.381 hours/ns 3.643 steps/s 2024-05-08 16:54:48,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296700 59340 149.52 -1992.9 16388 -18381 -18381 -0.000781 -0.00080005 0.0007429 4.8064e+05 2024-05-08 16:55:03,756 INFO [main.py:798]
{rank 0/64} MD step = 296800 step time: 00:00:00.164385 Performance: 62.950 ns/day 0.381 hours/ns 3.643 steps/s 2024-05-08 16:55:09,126 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 149.89 -2046.4 16428 -18474 -18474 -0.00063813 -0.00083814 0.00055241 4.8076e+05 2024-05-08 16:55:25,037 INFO [main.py:798]
{rank 0/64} MD step = 296900 step time: 00:00:00.171165 Performance: 62.955 ns/day 0.381 hours/ns 3.643 steps/s 2024-05-08 16:55:30,131 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 151.73 -1828 16630 -18458 -18458 -0.0006667 -0.00053336 0.0003524 4.8094e+05 2024-05-08 16:55:45,624 INFO [main.py:798]
{rank 0/64} MD step = 297000 step time: 00:00:00.155388 Performance: 62.960 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:55:50,067 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 147.91 -1912.3 16211 -18123 -18123 -0.00045717 -0.00015239 0.00053336 4.8112e+05 2024-05-08 16:56:07,255 INFO [main.py:798]
{rank 0/64} MD step = 297100 step time: 00:00:00.155535 Performance: 62.964 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:56:12,556 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 149.96 -1870.3 16436 -18306 -18306 -0.00087624 -0.00045717 0.00036193 4.8129e+05 2024-05-08 16:56:28,176 INFO [main.py:798]
{rank 0/64} MD step = 297200 step time: 00:00:00.144019 Performance: 62.969 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:56:42,567 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 150.39 -1728.2 16483 -18211 -18211 -0.00038097 -0.00057146 0.00091434 4.8141e+05 2024-05-08 16:56:58,239 INFO [main.py:798]
{rank 0/64} MD step = 297300 step time: 00:00:00.149243 Performance: 62.967 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:57:09,486 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 152.21 -1584.6 16683 -18267 -18267 -0.00041907 -0.00072385 0.00060956 4.8159e+05 2024-05-08 16:57:25,848 INFO [main.py:798]
{rank 0/64} MD step = 297400 step time: 00:00:00.159420 Performance: 62.967 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:57:37,147 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 149.54 -1891.8 16390 -18282 -18282 -0.00061908 -0.00028573 0.00068575 4.8176e+05 2024-05-08 16:57:52,091 INFO [main.py:798]
{rank 0/64} MD step = 297500 step time: 00:00:00.156563 Performance: 62.968 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:57:58,972 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 149.39 -1890.6 16373 -18263 -18263 -0.00044764 -0.00057146 0.00045717 4.8196e+05 2024-05-08 16:58:14,376 INFO [main.py:798]
{rank 0/64} MD step = 297600 step time: 00:00:00.154865 Performance: 62.972 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:58:20,627 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 150.17 -1776 16459 -18235 -18235 -0.00064766 -0.00044764 0.00022858 4.8208e+05 2024-05-08 16:58:36,416 INFO [main.py:798]
{rank 0/64} MD step = 297700 step time: 00:00:00.140986 Performance: 62.976 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:58:41,905 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 151.16 -2026.9 16567 -18594 -18594 -0.00041907 -0.00085719 0.00076195 4.8224e+05 2024-05-08 16:58:57,952 INFO [main.py:798]
{rank 0/64} MD step = 297800 step time: 00:00:00.140485 Performance: 62.981 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 16:59:15,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297800 59560 149.94 -1908.7 16434 -18343 -18343 -0.00057146 -0.00083814 0.00057146 4.8241e+05 2024-05-08 16:59:32,113 INFO [main.py:798]
{rank 0/64} MD step = 297900 step time: 00:00:00.152029 Performance: 62.976 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 16:59:44,904 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 151.07 -1870.1 16558 -18428 -18428 -0.00052384 -0.00033335 0.00043812 4.8254e+05 2024-05-08 17:00:00,585 INFO [main.py:798]
{rank 0/64} MD step = 298000 step time: 00:00:00.159799 Performance: 62.975 ns/day 0.381 hours/ns 3.644 steps/s 2024-05-08 17:00:06,471 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 151.09 -2165.6 16560 -18725 -18725 -0.00061908 -0.00083814 0.00053336 4.827e+05 2024-05-08 17:00:22,328 INFO [main.py:798]
{rank 0/64} MD step = 298100 step time: 00:00:00.154243 Performance: 62.979 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 17:00:28,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298100 59620 150.27 -1983.6 16470 -18453 -18453 -0.00055241 -0.00063813 0.00047146 4.8288e+05 2024-05-08 17:00:43,809 INFO [main.py:798]
{rank 0/64} MD step = 298200 step time: 00:00:00.153824 Performance: 62.984 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 17:00:49,969 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 150.12 -2098.1 16454 -18552 -18552 -0.00076195 -0.00068575 0.00057146 4.8302e+05 2024-05-08 17:01:05,508 INFO [main.py:798]
{rank 0/64} MD step = 298300 step time: 00:00:00.161140 Performance: 62.988 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 17:01:12,432 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 152 -1712.2 16660 -18372 -18372 -0.00053336 -0.00064766 0.00025716 4.8318e+05 2024-05-08 17:01:28,125 INFO [main.py:798]
{rank 0/64} MD step = 298400 step time: 00:00:00.158138 Performance: 62.992 ns/day 0.381 hours/ns 3.645 steps/s 2024-05-08 17:01:32,117 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 149.05 -1997.2 16336 -18333 -18333 -0.00053336 -0.00036193 0.00064766 4.8335e+05 2024-05-08 17:01:49,432 INFO [main.py:798]
{rank 0/64} MD step = 298500 step time: 00:00:00.164713 Performance: 62.997 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 17:01:55,421 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 149.45 -2035 16380 -18415 -18415 -0.00079052 -0.000781 0.00083814 4.8349e+05 2024-05-08 17:02:10,631 INFO [main.py:798]
{rank 0/64} MD step = 298600 step time: 00:00:00.156920 Performance: 63.002 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 17:02:17,037 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 148.7 -2119.8 16298 -18418 -18418 -0.00084767 -0.00045717 0.00057146 4.8363e+05 2024-05-08 17:02:32,914 INFO [main.py:798]
{rank 0/64} MD step = 298700 step time: 00:00:00.149213 Performance: 63.006 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 17:02:37,560 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 149.36 -2258 16370 -18628 -18628 -0.00045717 -0.00036193 0.00076195 4.8378e+05 2024-05-08 17:02:53,838 INFO [main.py:798]
{rank 0/64} MD step = 298800 step time: 00:00:00.148042 Performance: 63.011 ns/day 0.381 hours/ns 3.646 steps/s 2024-05-08 17:03:00,143 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 151.66 -1757 16622 -18379 -18379 -0.00034288 -0.00083814 0.00064766 4.839e+05 2024-05-08 17:03:16,910 INFO [main.py:798]
{rank 0/64} MD step = 298900 step time: 00:00:00.156672 Performance: 63.014 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 17:03:22,998 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 150.45 -2007.4 16489 -18497 -18497 -0.00045717 -0.00053336 0.00038097 4.841e+05 2024-05-08 17:03:39,440 INFO [main.py:798]
{rank 0/64} MD step = 299000 step time: 00:00:00.166108 Performance: 63.018 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 17:03:48,798 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 149.58 -1952 16394 -18346 -18346 -0.00053336 -0.00060956 0.00062861 4.8427e+05 2024-05-08 17:04:04,378 INFO [main.py:798]
{rank 0/64} MD step = 299100 step time: 00:00:00.173349 Performance: 63.020 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 17:04:10,953 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 145.82 -2442.6 15982 -18424 -18424 -0.00053336 -0.00053336 0.00064766 4.844e+05 2024-05-08 17:04:26,448 INFO [main.py:798]
{rank 0/64} MD step = 299200 step time: 00:00:00.151587 Performance: 63.024 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 17:04:32,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299200 59840 150.78 -1929.2 16526 -18455 -18455 -0.00045717 -0.00076195 0.00072385 4.8458e+05 2024-05-08 17:04:49,090 INFO [main.py:798]
{rank 0/64} MD step = 299300 step time: 00:00:00.162161 Performance: 63.027 ns/day 0.381 hours/ns 3.647 steps/s 2024-05-08 17:04:54,439 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 148.03 -2238.6 16224 -18463 -18463 -0.00046193 -0.00076195 0.00049527 4.847e+05 2024-05-08 17:05:10,231 INFO [main.py:798]
{rank 0/64} MD step = 299400 step time: 00:00:00.167825 Performance: 63.032 ns/day 0.381 hours/ns 3.648 steps/s 2024-05-08 17:05:16,000 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 147.64 -1994.1 16181 -18175 -18175 -0.00059051 -0.00093339 0.00091434 4.849e+05 2024-05-08 17:05:31,879 INFO [main.py:798]
{rank 0/64} MD step = 299500 step time: 00:00:00.160978 Performance: 63.037 ns/day 0.381 hours/ns 3.648 steps/s 2024-05-08 17:05:40,119 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 151.61 -1725.8 16617 -18343 -18343 -0.0007048 -0.00095243 0.00055717 4.8506e+05 2024-05-08 17:05:55,881 INFO [main.py:798]
{rank 0/64} MD step = 299600 step time: 00:00:00.160792 Performance: 63.039 ns/day 0.381 hours/ns 3.648 steps/s 2024-05-08 17:06:01,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299600 59920 147.15 -2333.8 16128 -18462 -18462 -0.000781 -0.00097148 9.5243e-05 4.852e+05 2024-05-08 17:06:17,711 INFO [main.py:798]
{rank 0/64} MD step = 299700 step time: 00:00:00.155728 Performance: 63.043 ns/day 0.381 hours/ns 3.648 steps/s 2024-05-08 17:06:23,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299700 59940 149.18 -2216.7 16350 -18567 -18567 -0.00054289 -0.00083814 0.00028573 4.8537e+05 2024-05-08 17:06:39,314 INFO [main.py:798]
{rank 0/64} MD step = 299800 step time: 00:00:00.152022 Performance: 63.048 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 17:06:47,405 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 149.67 -2079.3 16404 -18483 -18483 -0.00037145 -0.00087624 0.00053336 4.8557e+05 2024-05-08 17:07:02,703 INFO [main.py:798]
{rank 0/64} MD step = 299900 step time: 00:00:00.155443 Performance: 63.051 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 17:07:11,598 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 149.46 -2338.9 16382 -18720 -18720 -0.00038097 -0.00041907 0.00060956 4.8569e+05 2024-05-08 17:07:26,736 INFO [main.py:798]
{rank 0/64} MD step = 300000 step time: 00:00:00.153664 Performance: 63.054 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 17:07:33,717 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 150.43 -1900.4 16488 -18388 -18388 -0.00083814 -0.0007048 0.00038097 4.8589e+05 2024-05-08 17:07:49,605 INFO [main.py:798]
{rank 0/64} MD step = 300100 step time: 00:00:00.150537 Performance: 63.057 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 17:07:55,979 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 150.36 -2012 16480 -18491 -18491 -0.00080005 -0.00062861 0.0007048 4.8604e+05 2024-05-08 17:08:11,503 INFO [main.py:798]
{rank 0/64} MD step = 300200 step time: 00:00:00.142851 Performance: 63.061 ns/day 0.381 hours/ns 3.649 steps/s 2024-05-08 17:08:18,747 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 149.76 -1844.5 16414 -18259 -18259 -0.00060956 -0.00061908 0.00049527 4.8621e+05 2024-05-08 17:08:35,551 INFO [main.py:798]
{rank 0/64} MD step = 300300 step time: 00:00:00.147833 Performance: 63.064 ns/day 0.381 hours/ns 3.650 steps/s 2024-05-08 17:08:40,917 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 149.55 -1994.5 16391 -18385 -18385 -0.00091434 -0.00040955 0.00047622 4.8633e+05 2024-05-08 17:08:58,222 INFO [main.py:798]
{rank 0/64} MD step = 300400 step time: 00:00:00.147633 Performance: 63.067 ns/day 0.381 hours/ns 3.650 steps/s 2024-05-08 17:09:02,536 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 149.29 -2036.3 16363 -18399 -18399 -0.00099053 -0.00057146 0.00091434 4.8651e+05 2024-05-08 17:09:19,883 INFO [main.py:798]
{rank 0/64} MD step = 300500 step time: 00:00:00.150304 Performance: 63.072 ns/day 0.381 hours/ns 3.650 steps/s 2024-05-08 17:09:24,843 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 148.76 -2060.5 16305 -18365 -18365 -0.00059051 -0.00045717 7.6195e-05 4.8669e+05 2024-05-08 17:09:41,186 INFO [main.py:798]
{rank 0/64} MD step = 300600 step time: 00:00:00.145802 Performance: 63.077 ns/day 0.380 hours/ns 3.650 steps/s 2024-05-08 17:09:47,808 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 149.14 -1948.8 16346 -18295 -18295 -0.00099053 -0.00087624 0.00049527 4.8691e+05 2024-05-08 17:10:03,854 INFO [main.py:798]
{rank 0/64} MD step = 300700 step time: 00:00:00.142894 Performance: 63.080 ns/day 0.380 hours/ns 3.650 steps/s 2024-05-08 17:10:08,373 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 150.48 -1822.8 16493 -18315 -18315 -0.00049527 -0.00027621 0.00049527 4.8702e+05 2024-05-08 17:10:26,029 INFO [main.py:798]
{rank 0/64} MD step = 300800 step time: 00:00:00.156904 Performance: 63.084 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 17:10:30,343 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 151.1 -1623.4 16561 -18185 -18185 -0.00068575 -0.00049527 0.00050717 4.8722e+05 2024-05-08 17:10:46,369 INFO [main.py:798]
{rank 0/64} MD step = 300900 step time: 00:00:00.154784 Performance: 63.090 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 17:10:50,069 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 150.06 -1716 16447 -18163 -18163 -0.00068575 -0.00094291 0.00038097 4.8739e+05 2024-05-08 17:11:07,814 INFO [main.py:798]
{rank 0/64} MD step = 301000 step time: 00:00:00.147190 Performance: 63.094 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 17:11:18,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301000 60200 150.3 -1692.5 16473 -18166 -18166 -0.00058099 -0.00094291 0.00060956 4.8752e+05 2024-05-08 17:11:34,496 INFO [main.py:798]
{rank 0/64} MD step = 301100 step time: 00:00:00.143266 Performance: 63.095 ns/day 0.380 hours/ns 3.651 steps/s 2024-05-08 17:11:40,569 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 150.11 -2010.1 16453 -18463 -18463 -0.00040002 -0.00041907 0.00060956 4.8769e+05 2024-05-08 17:11:57,208 INFO [main.py:798]
{rank 0/64} MD step = 301200 step time: 00:00:00.172249 Performance: 63.098 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 17:12:03,633 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 149.49 -2106.2 16384 -18490 -18490 -0.00060956 -0.00099053 0.00072385 4.8784e+05 2024-05-08 17:12:19,985 INFO [main.py:798]
{rank 0/64} MD step = 301300 step time: 00:00:00.168357 Performance: 63.102 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 17:12:26,472 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 149.4 -1875.1 16374 -18249 -18249 -0.00053336 -0.00026668 0.000781 4.8802e+05 2024-05-08 17:12:42,640 INFO [main.py:798]
{rank 0/64} MD step = 301400 step time: 00:00:00.172877 Performance: 63.105 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 17:12:48,121 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 150.96 -1722.1 16545 -18267 -18267 -0.00080005 -0.00091434 0.00041907 4.8815e+05 2024-05-08 17:13:03,204 INFO [main.py:798]
{rank 0/64} MD step = 301500 step time: 00:00:00.164599 Performance: 63.111 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 17:13:09,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301500 60300 149.14 -1771 16346 -18117 -18117 -0.00053336 -0.000781 0.00047622 4.8831e+05 2024-05-08 17:13:25,094 INFO [main.py:798]
{rank 0/64} MD step = 301600 step time: 00:00:00.160596 Performance: 63.115 ns/day 0.380 hours/ns 3.652 steps/s 2024-05-08 17:13:30,993 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 152.48 -1608.5 16712 -18321 -18321 -0.00091434 -0.00091434 0.00047622 4.8843e+05 2024-05-08 17:13:46,756 INFO [main.py:798]
{rank 0/64} MD step = 301700 step time: 00:00:00.164122 Performance: 63.119 ns/day 0.380 hours/ns 3.653 steps/s 2024-05-08 17:13:53,135 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 150.3 -1711.6 16473 -18185 -18185 -0.00072385 -0.00053336 0.00095243 4.8867e+05 2024-05-08 17:14:08,417 INFO [main.py:798]
{rank 0/64} MD step = 301800 step time: 00:00:00.163732 Performance: 63.123 ns/day 0.380 hours/ns 3.653 steps/s 2024-05-08 17:14:14,171 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 148.09 -2131.1 16231 -18362 -18362 -0.00059051 -0.00064766 0.00065718 4.8881e+05 2024-05-08 17:14:30,015 INFO [main.py:798]
{rank 0/64} MD step = 301900 step time: 00:00:00.165808 Performance: 63.128 ns/day 0.380 hours/ns 3.653 steps/s 2024-05-08 17:14:34,736 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 151.74 -1730 16631 -18361 -18361 -0.00060956 -0.00085719 0.00053336 4.8893e+05 2024-05-08 17:14:51,733 INFO [main.py:798]
{rank 0/64} MD step = 302000 step time: 00:00:00.156725 Performance: 63.132 ns/day 0.380 hours/ns 3.653 steps/s 2024-05-08 17:15:01,112 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 150.99 -1839.1 16548 -18388 -18388 -0.00053336 -0.00053336 0.00030478 4.891e+05 2024-05-08 17:15:16,791 INFO [main.py:798]
{rank 0/64} MD step = 302100 step time: 00:00:00.162759 Performance: 63.134 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 17:15:26,990 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 150.77 -1629.4 16524 -18154 -18154 -0.00054289 -0.00053336 0.00068575 4.8922e+05 2024-05-08 17:15:42,810 INFO [main.py:798]
{rank 0/64} MD step = 302200 step time: 00:00:00.163150 Performance: 63.135 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 17:15:50,396 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 147.16 -2294.5 16129 -18424 -18424 -0.00080005 -0.00047622 0.00040002 4.8938e+05 2024-05-08 17:16:05,996 INFO [main.py:798]
{rank 0/64} MD step = 302300 step time: 00:00:00.159182 Performance: 63.138 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 17:16:12,469 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 150.05 -1759.1 16446 -18205 -18205 -0.00057146 -0.00068575 0.00034288 4.8957e+05 2024-05-08 17:16:28,921 INFO [main.py:798]
{rank 0/64} MD step = 302400 step time: 00:00:00.158372 Performance: 63.142 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 17:16:35,531 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 150.36 -1830.2 16479 -18310 -18310 -0.00026668 -0.00085719 0.00038097 4.8969e+05 2024-05-08 17:16:51,490 INFO [main.py:798]
{rank 0/64} MD step = 302500 step time: 00:00:00.160071 Performance: 63.145 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 17:16:57,323 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 148.57 -2242.4 16284 -18526 -18526 -0.00045717 -0.00081909 0.00053336 4.8992e+05 2024-05-08 17:17:12,719 INFO [main.py:798]
{rank 0/64} MD step = 302600 step time: 00:00:00.166252 Performance: 63.150 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 17:17:19,639 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 150.71 -1895.9 16518 -18414 -18414 -0.00034288 -0.00022858 0.0006667 4.9004e+05 2024-05-08 17:17:35,244 INFO [main.py:798]
{rank 0/64} MD step = 302700 step time: 00:00:00.162001 Performance: 63.154 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 17:17:40,842 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 149.59 -2002.6 16396 -18398 -18398 -0.00087624 -0.00080005 0.00089529 4.9025e+05 2024-05-08 17:17:57,815 INFO [main.py:798]
{rank 0/64} MD step = 302800 step time: 00:00:00.159504 Performance: 63.157 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 17:18:02,011 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 150.44 -2090 16488 -18578 -18578 -0.00057146 -0.0010096 0.00053336 4.9038e+05 2024-05-08 17:18:39,362 INFO [main.py:798]
{rank 0/64} MD step = 302900 step time: 00:00:00.157557 Performance: 63.146 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 17:18:46,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302900 60580 148.78 -2138.6 16307 -18446 -18446 -0.00057146 -0.00097148 0.00057146 4.9054e+05 2024-05-08 17:19:02,444 INFO [main.py:798]
{rank 0/64} MD step = 303000 step time: 00:00:00.145279 Performance: 63.150 ns/day 0.380 hours/ns 3.654 steps/s 2024-05-08 17:19:11,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303000 60600 150.68 -1777 16514 -18291 -18291 -0.00091434 -0.00053336 0.00049527 4.9072e+05 2024-05-08 17:19:27,074 INFO [main.py:798]
{rank 0/64} MD step = 303100 step time: 00:00:00.143352 Performance: 63.152 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 17:19:33,410 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 150.46 -1796.3 16490 -18287 -18287 -0.00049527 -0.00041907 0.00030478 4.9086e+05 2024-05-08 17:19:49,355 INFO [main.py:798]
{rank 0/64} MD step = 303200 step time: 00:00:00.142240 Performance: 63.156 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 17:19:56,039 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 152.53 -1710.7 16717 -18428 -18428 -0.00038097 -0.00045717 0.00073337 4.9097e+05 2024-05-08 17:20:12,123 INFO [main.py:798]
{rank 0/64} MD step = 303300 step time: 00:00:00.141451 Performance: 63.159 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 17:20:16,753 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 150.79 -1828.2 16527 -18355 -18355 -0.00080005 -0.0006667 -0.00026668 4.9117e+05 2024-05-08 17:20:34,878 INFO [main.py:798]
{rank 0/64} MD step = 303400 step time: 00:00:00.158403 Performance: 63.163 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 17:20:41,585 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 152.02 -1679 16661 -18340 -18340 -0.00080005 -0.00091434 0.00041907 4.9131e+05 2024-05-08 17:20:57,670 INFO [main.py:798]
{rank 0/64} MD step = 303500 step time: 00:00:00.158387 Performance: 63.166 ns/day 0.380 hours/ns 3.655 steps/s 2024-05-08 17:21:04,030 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 150.5 -1597.6 16495 -18093 -18093 -0.00060956 -0.00083814 0.00080005 4.915e+05 2024-05-08 17:21:20,187 INFO [main.py:798]
{rank 0/64} MD step = 303600 step time: 00:00:00.143170 Performance: 63.170 ns/day 0.380 hours/ns 3.656 steps/s 2024-05-08 17:21:23,904 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 148.93 -2027.2 16323 -18350 -18350 -0.00083814 -0.000781 0.00026668 4.9163e+05 2024-05-08 17:21:41,600 INFO [main.py:798]
{rank 0/64} MD step = 303700 step time: 00:00:00.160148 Performance: 63.174 ns/day 0.380 hours/ns 3.656 steps/s 2024-05-08 17:21:47,098 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 150.36 -1928.2 16479 -18408 -18408 -0.00047622 -0.00076195 0.00053336 4.918e+05 2024-05-08 17:22:03,275 INFO [main.py:798]
{rank 0/64} MD step = 303800 step time: 00:00:00.164884 Performance: 63.179 ns/day 0.380 hours/ns 3.656 steps/s 2024-05-08 17:22:09,490 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 152.37 -1660.3 16700 -18361 -18361 -0.00064766 -0.00045717 0.00060956 4.9192e+05 2024-05-08 17:22:25,723 INFO [main.py:798]
{rank 0/64} MD step = 303900 step time: 00:00:00.150084 Performance: 63.182 ns/day 0.380 hours/ns 3.656 steps/s 2024-05-08 17:22:34,450 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 147.92 -2169.4 16212 -18382 -18382 -0.00083814 -0.00032383 0.00047622 4.9208e+05 2024-05-08 17:22:50,404 INFO [main.py:798]
{rank 0/64} MD step = 304000 step time: 00:00:00.150086 Performance: 63.184 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 17:23:04,190 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 149.88 -1915.7 16427 -18343 -18343 -0.00053336 -0.00015239 0.00060956 4.9224e+05 2024-05-08 17:23:20,156 INFO [main.py:798]
{rank 0/64} MD step = 304100 step time: 00:00:00.160778 Performance: 63.183 ns/day 0.380 hours/ns 3.656 steps/s 2024-05-08 17:23:25,918 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 151.05 -1646.2 16555 -18201 -18201 -0.0011429 -0.00034288 0.00067623 4.9238e+05 2024-05-08 17:23:41,915 INFO [main.py:798]
{rank 0/64} MD step = 304200 step time: 00:00:00.161607 Performance: 63.187 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 17:23:47,591 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 151.5 -1658.5 16605 -18263 -18263 -0.00080005 -0.00041907 0.00053336 4.9257e+05 2024-05-08 17:24:03,506 INFO [main.py:798]
{rank 0/64} MD step = 304300 step time: 00:00:00.162834 Performance: 63.191 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 17:24:09,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304300 60860 150.82 -1709.7 16530 -18240 -18240 -0.00072385 -0.00047622 0.00055241 4.9273e+05 2024-05-08 17:24:25,738 INFO [main.py:798]
{rank 0/64} MD step = 304400 step time: 00:00:00.156451 Performance: 63.195 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 17:24:31,456 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 150.25 -1974.1 16468 -18442 -18442 -0.00087624 -0.00060956 0.00068575 4.9291e+05 2024-05-08 17:24:47,486 INFO [main.py:798]
{rank 0/64} MD step = 304500 step time: 00:00:00.164476 Performance: 63.199 ns/day 0.380 hours/ns 3.657 steps/s 2024-05-08 17:24:52,449 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 150.79 -1703.9 16527 -18231 -18231 -0.00076195 -0.00080957 0.00034288 4.9306e+05 2024-05-08 17:25:08,342 INFO [main.py:798]
{rank 0/64} MD step = 304600 step time: 00:00:00.167829 Performance: 63.204 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 17:25:15,219 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 151.98 -1664.5 16658 -18322 -18322 -0.00083814 -0.00072385 0.00051431 4.9323e+05 2024-05-08 17:25:30,966 INFO [main.py:798]
{rank 0/64} MD step = 304700 step time: 00:00:00.159778 Performance: 63.208 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 17:25:37,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304700 60940 150.89 -2027.5 16537 -18565 -18565 -0.00045717 -0.00049527 0.00037145 4.9338e+05 2024-05-08 17:25:53,503 INFO [main.py:798]
{rank 0/64} MD step = 304800 step time: 00:00:00.157614 Performance: 63.211 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 17:26:00,425 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 150.58 -1948.5 16503 -18452 -18452 -0.00083814 -0.00038097 0.00056194 4.9359e+05 2024-05-08 17:26:15,596 INFO [main.py:798]
{rank 0/64} MD step = 304900 step time: 00:00:00.155510 Performance: 63.215 ns/day 0.380 hours/ns 3.658 steps/s 2024-05-08 17:26:20,316 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 149.24 -2000.2 16357 -18357 -18357 -0.00036193 -0.00034288 0 4.9377e+05 2024-05-08 17:26:37,731 INFO [main.py:798]
{rank 0/64} MD step = 305000 step time: 00:00:00.156279 Performance: 63.219 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 17:26:43,916 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 149.62 -1956.8 16398 -18355 -18355 -0.00028573 -0.00077147 0.00057146 4.9393e+05 2024-05-08 17:26:59,685 INFO [main.py:798]
{rank 0/64} MD step = 305100 step time: 00:00:00.155948 Performance: 63.223 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 17:27:06,453 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 149.46 -2072 16380 -18453 -18453 -0.00091434 -0.00087624 0.00091434 4.9409e+05 2024-05-08 17:27:22,271 INFO [main.py:798]
{rank 0/64} MD step = 305200 step time: 00:00:00.162409 Performance: 63.227 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 17:27:28,276 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 148.91 -1965.1 16320 -18285 -18285 -0.00080005 -0.00053336 0.00022858 4.9426e+05 2024-05-08 17:27:44,251 INFO [main.py:798]
{rank 0/64} MD step = 305300 step time: 00:00:00.168595 Performance: 63.231 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 17:27:51,569 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 149.33 -1943.2 16367 -18310 -18310 -0.00041907 -0.00052384 0.00045717 4.9442e+05 2024-05-08 17:28:10,479 INFO [main.py:798]
{rank 0/64} MD step = 305400 step time: 00:00:00.171146 Performance: 63.232 ns/day 0.380 hours/ns 3.659 steps/s 2024-05-08 17:28:15,297 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 148.51 -1970.6 16277 -18248 -18248 -0.00015239 -0.00034288 0.00068575 4.9457e+05 2024-05-08 17:28:31,723 INFO [main.py:798]
{rank 0/64} MD step = 305500 step time: 00:00:00.161889 Performance: 63.237 ns/day 0.380 hours/ns 3.660 steps/s 2024-05-08 17:28:36,121 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 149.03 -2044.7 16334 -18379 -18379 -0.00091434 -0.00083814 0.00076195 4.9473e+05 2024-05-08 17:28:52,057 INFO [main.py:798]
{rank 0/64} MD step = 305600 step time: 00:00:00.163646 Performance: 63.242 ns/day 0.379 hours/ns 3.660 steps/s 2024-05-08 17:28:57,548 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 150.72 -1850.8 16519 -18370 -18370 -0.00053336 -0.00019049 0.00043812 4.949e+05 2024-05-08 17:29:13,553 INFO [main.py:798]
{rank 0/64} MD step = 305700 step time: 00:00:00.158184 Performance: 63.246 ns/day 0.379 hours/ns 3.660 steps/s 2024-05-08 17:29:18,763 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 150.75 -1865.9 16522 -18388 -18388 -0.00051431 -0.00053336 0.00076195 4.9502e+05 2024-05-08 17:29:33,937 INFO [main.py:798]
{rank 0/64} MD step = 305800 step time: 00:00:00.131536 Performance: 63.252 ns/day 0.379 hours/ns 3.660 steps/s 2024-05-08 17:29:44,429 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 148.99 -2041.7 16330 -18371 -18371 -0.00060956 -0.00053336 0.00064766 4.9518e+05 2024-05-08 17:30:00,218 INFO [main.py:798]
{rank 0/64} MD step = 305900 step time: 00:00:00.142576 Performance: 63.252 ns/day 0.379 hours/ns 3.660 steps/s 2024-05-08 17:30:09,722 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 150.97 -1980.4 16547 -18527 -18527 -0.00022858 -0.00046669 0.00097148 4.9541e+05 2024-05-08 17:30:25,928 INFO [main.py:798]
{rank 0/64} MD step = 306000 step time: 00:00:00.171670 Performance: 63.254 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 17:30:34,090 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 150.45 -1864.2 16489 -18353 -18353 -0.00069528 -0.00041907 0.00068575 4.9558e+05 2024-05-08 17:30:50,422 INFO [main.py:798]
{rank 0/64} MD step = 306100 step time: 00:00:00.156535 Performance: 63.256 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 17:30:56,987 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 150.18 -2050.4 16460 -18510 -18510 -0.00040002 -0.00083814 0.00032383 4.9567e+05 2024-05-08 17:31:12,644 INFO [main.py:798]
{rank 0/64} MD step = 306200 step time: 00:00:00.158143 Performance: 63.260 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 17:31:18,753 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 149.88 -1820.9 16428 -18248 -18248 -0.00059051 -0.00040002 0.0003905 4.9582e+05 2024-05-08 17:31:34,667 INFO [main.py:798]
{rank 0/64} MD step = 306300 step time: 00:00:00.168295 Performance: 63.264 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 17:31:43,049 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 149.4 -2045 16374 -18419 -18419 -0.00045717 -0.0006667 0.00091434 4.9598e+05 2024-05-08 17:31:58,931 INFO [main.py:798]
{rank 0/64} MD step = 306400 step time: 00:00:00.154175 Performance: 63.266 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 17:32:05,295 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 152.14 -1789.1 16675 -18464 -18464 -0.00043812 -0.00057146 0.00045717 4.9616e+05 2024-05-08 17:32:21,414 INFO [main.py:798]
{rank 0/64} MD step = 306500 step time: 00:00:00.159026 Performance: 63.269 ns/day 0.379 hours/ns 3.661 steps/s 2024-05-08 17:32:30,879 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 148.79 -2279.1 16308 -18587 -18587 -0.00059051 -0.00080005 0.00049527 4.9632e+05 2024-05-08 17:32:46,877 INFO [main.py:798]
{rank 0/64} MD step = 306600 step time: 00:00:00.152347 Performance: 63.271 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 17:32:52,892 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 148.94 -2020.6 16324 -18345 -18345 -0.00049527 -0.00060956 0.00054289 4.9648e+05 2024-05-08 17:33:10,364 INFO [main.py:798]
{rank 0/64} MD step = 306700 step time: 00:00:00.167936 Performance: 63.274 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 17:33:16,874 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 150.42 -1904.8 16486 -18391 -18391 -0.00045717 -0.00076195 0.00045717 4.9661e+05 2024-05-08 17:33:32,440 INFO [main.py:798]
{rank 0/64} MD step = 306800 step time: 00:00:00.159370 Performance: 63.278 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 17:33:36,704 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 148.72 -2114.3 16300 -18414 -18414 -0.00038097 -0.00055241 0.00034288 4.9678e+05 2024-05-08 17:33:53,434 INFO [main.py:798]
{rank 0/64} MD step = 306900 step time: 00:00:00.164990 Performance: 63.282 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 17:33:59,605 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 148.82 -2091.3 16311 -18402 -18402 -0.00076195 -0.00028573 0.00064766 4.9691e+05 2024-05-08 17:34:15,424 INFO [main.py:798]
{rank 0/64} MD step = 307000 step time: 00:00:00.160857 Performance: 63.287 ns/day 0.379 hours/ns 3.662 steps/s 2024-05-08 17:34:20,479 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 150.21 -1957.8 16463 -18420 -18420 -0.00023811 -0.00073814 0.0004286 4.9704e+05 2024-05-08 17:34:36,476 INFO [main.py:798]
{rank 0/64} MD step = 307100 step time: 00:00:00.162738 Performance: 63.291 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 17:34:40,588 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 150.32 -1872 16475 -18347 -18347 -0.00080005 -0.00045717 0.00072385 4.9717e+05 2024-05-08 17:34:57,956 INFO [main.py:798]
{rank 0/64} MD step = 307200 step time: 00:00:00.156519 Performance: 63.296 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 17:35:04,149 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 152.15 -1839.7 16676 -18515 -18515 -0.00036193 -0.00057146 0.00038097 4.9731e+05 2024-05-08 17:35:20,159 INFO [main.py:798]
{rank 0/64} MD step = 307300 step time: 00:00:00.160517 Performance: 63.299 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 17:35:24,758 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 150.09 -1901.7 16450 -18352 -18352 -0.00071433 -0.00043812 0.00060956 4.9752e+05 2024-05-08 17:35:40,482 INFO [main.py:798]
{rank 0/64} MD step = 307400 step time: 00:00:00.158351 Performance: 63.305 ns/day 0.379 hours/ns 3.663 steps/s 2024-05-08 17:35:47,188 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 148.67 -2269.7 16295 -18564 -18564 -0.00047622 -0.00083814 0.00057146 4.9763e+05 2024-05-08 17:36:03,194 INFO [main.py:798]
{rank 0/64} MD step = 307500 step time: 00:00:00.143708 Performance: 63.308 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 17:36:08,852 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 150.14 -2061.1 16456 -18517 -18517 -0.00053336 -0.00053336 0.00064766 4.978e+05 2024-05-08 17:36:24,531 INFO [main.py:798]
{rank 0/64} MD step = 307600 step time: 00:00:00.152493 Performance: 63.313 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 17:36:33,261 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 151.05 -1454.3 16555 -18010 -18010 -0.00049527 -0.00080005 0.00043812 4.9801e+05 2024-05-08 17:36:48,499 INFO [main.py:798]
{rank 0/64} MD step = 307700 step time: 00:00:00.148240 Performance: 63.315 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 17:36:53,947 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 151.63 -2103.4 16619 -18722 -18722 -0.00062861 -0.00034288 0.00097148 4.9813e+05 2024-05-08 17:37:09,859 INFO [main.py:798]
{rank 0/64} MD step = 307800 step time: 00:00:00.152957 Performance: 63.320 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 17:37:16,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307800 61560 150.44 -2380.1 16488 -18869 -18869 -0.0003524 -0.00040002 0.00063813 4.9831e+05 2024-05-08 17:37:36,225 INFO [main.py:798]
{rank 0/64} MD step = 307900 step time: 00:00:00.191635 Performance: 63.320 ns/day 0.379 hours/ns 3.664 steps/s 2024-05-08 17:37:41,981 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 150.44 -2188.9 16489 -18678 -18678 -0.00036193 -0.00047622 0.00054289 4.9851e+05 2024-05-08 17:37:57,426 INFO [main.py:798]
{rank 0/64} MD step = 308000 step time: 00:00:00.164044 Performance: 63.325 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 17:38:02,270 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 150.99 -1965.4 16549 -18514 -18514 -0.0006048 -0.00094767 0.00057146 4.9869e+05 2024-05-08 17:38:22,672 INFO [main.py:798]
{rank 0/64} MD step = 308100 step time: 00:00:00.166444 Performance: 63.326 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 17:38:30,459 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 152.84 -1715.6 16751 -18467 -18467 -0.00080005 -0.00033335 0.00069528 4.9884e+05 2024-05-08 17:38:46,510 INFO [main.py:798]
{rank 0/64} MD step = 308200 step time: 00:00:00.166068 Performance: 63.329 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 17:38:54,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308200 61640 151.22 -2195 16574 -18769 -18769 -0.00099053 -0.00041907 0.00091434 4.99e+05 2024-05-08 17:39:10,046 INFO [main.py:798]
{rank 0/64} MD step = 308300 step time: 00:00:00.158612 Performance: 63.332 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 17:39:15,625 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 148.84 -2252.1 16313 -18566 -18566 -0.0004286 -0.00032383 0.00015239 4.9916e+05 2024-05-08 17:39:31,816 INFO [main.py:798]
{rank 0/64} MD step = 308400 step time: 00:00:00.170844 Performance: 63.336 ns/day 0.379 hours/ns 3.665 steps/s 2024-05-08 17:39:35,738 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 150.2 -2038.5 16462 -18501 -18501 -0.00076195 -0.00060956 0.00045717 4.9934e+05 2024-05-08 17:39:53,224 INFO [main.py:798]
{rank 0/64} MD step = 308500 step time: 00:00:00.169144 Performance: 63.340 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 17:40:01,383 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 149.08 -2034.1 16339 -18373 -18373 -0.00038097 -0.00040002 0.00026192 4.9949e+05 2024-05-08 17:40:16,949 INFO [main.py:798]
{rank 0/64} MD step = 308600 step time: 00:00:00.163169 Performance: 63.343 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 17:40:21,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308600 61720 150.78 -1778.7 16526 -18304 -18304 -0.00053336 -0.00080005 0.00061908 4.9967e+05 2024-05-08 17:40:38,067 INFO [main.py:798]
{rank 0/64} MD step = 308700 step time: 00:00:00.164617 Performance: 63.348 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 17:40:43,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308700 61740 149.98 -1867.3 16438 -18305 -18305 -0.00060956 -0.00049527 -3.8097e-05 4.9984e+05 2024-05-08 17:40:59,000 INFO [main.py:798]
{rank 0/64} MD step = 308800 step time: 00:00:00.170555 Performance: 63.353 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 17:41:05,480 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 150.27 -1913.3 16470 -18383 -18383 -0.00045717 -0.00072385 0.00030478 4.9995e+05 2024-05-08 17:41:20,984 INFO [main.py:798]
{rank 0/64} MD step = 308900 step time: 00:00:00.170953 Performance: 63.357 ns/day 0.379 hours/ns 3.666 steps/s 2024-05-08 17:41:26,802 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 149.32 -2096.9 16365 -18462 -18462 -0.00064766 -0.0007048 0.00068575 5.0014e+05 2024-05-08 17:41:41,894 INFO [main.py:798]
{rank 0/64} MD step = 309000 step time: 00:00:00.162539 Performance: 63.361 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 17:41:45,921 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 151.79 -2042 16636 -18678 -18678 -0.00083814 -0.00045717 0.00038097 5.0028e+05 2024-05-08 17:42:03,822 INFO [main.py:798]
{rank 0/64} MD step = 309100 step time: 00:00:00.168177 Performance: 63.365 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 17:42:09,227 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 152.19 -1628.9 16681 -18309 -18309 -0.00034288 -0.00049527 0.00080957 5.005e+05 2024-05-08 17:42:24,446 INFO [main.py:798]
{rank 0/64} MD step = 309200 step time: 00:00:00.162447 Performance: 63.370 ns/day 0.379 hours/ns 3.667 steps/s 2024-05-08 17:42:30,426 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 150.57 -1780 16502 -18282 -18282 -0.00085719 -0.00022858 0.00045717 5.0062e+05 2024-05-08 17:42:45,968 INFO [main.py:798]
{rank 0/64} MD step = 309300 step time: 00:00:00.157421 Performance: 63.375 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 17:42:51,073 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 150.01 -1978.7 16441 -18420 -18420 -0.00050479 -0.00056194 -3.8097e-05 5.0084e+05 2024-05-08 17:43:07,183 INFO [main.py:798]
{rank 0/64} MD step = 309400 step time: 00:00:00.157276 Performance: 63.379 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 17:43:13,976 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 150.88 -1968.7 16536 -18505 -18505 -0.00040002 -0.00060956 0.00085719 5.01e+05 2024-05-08 17:43:29,178 INFO [main.py:798]
{rank 0/64} MD step = 309500 step time: 00:00:00.146792 Performance: 63.383 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 17:43:36,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309500 61900 150.36 -2010.7 16480 -18491 -18491 -0.00053336 -0.00036193 0.00040002 5.0116e+05 2024-05-08 17:43:52,172 INFO [main.py:798]
{rank 0/64} MD step = 309600 step time: 00:00:00.144721 Performance: 63.386 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 17:44:02,286 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 147.6 -2322.9 16177 -18500 -18500 -0.00064766 -0.00045717 0.00026668 5.0129e+05 2024-05-08 17:44:17,183 INFO [main.py:798]
{rank 0/64} MD step = 309700 step time: 00:00:00.150992 Performance: 63.388 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 17:44:21,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309700 61940 151.49 -1741.6 16603 -18345 -18345 -0.00084767 -0.00045717 0.00026668 5.0145e+05 2024-05-08 17:44:39,670 INFO [main.py:798]
{rank 0/64} MD step = 309800 step time: 00:00:00.162081 Performance: 63.392 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 17:44:50,835 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 151.01 -1969.1 16551 -18520 -18520 -0.00045717 -0.00049527 0.00087148 5.0161e+05 2024-05-08 17:45:06,099 INFO [main.py:798]
{rank 0/64} MD step = 309900 step time: 00:00:00.161245 Performance: 63.392 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 17:45:23,352 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 149 -2168.5 16330 -18499 -18499 -0.00076195 -0.00058099 0.00076195 5.0174e+05 2024-05-08 17:45:38,714 INFO [main.py:798]
{rank 0/64} MD step = 310000 step time: 00:00:00.156152 Performance: 63.388 ns/day 0.379 hours/ns 3.668 steps/s 2024-05-08 17:45:44,546 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 148.75 -2181.2 16303 -18484 -18484 -0.0006667 -0.00072385 0.00060956 5.0191e+05 2024-05-08 17:46:00,436 INFO [main.py:798]
{rank 0/64} MD step = 310100 step time: 00:00:00.161236 Performance: 63.392 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 17:46:05,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310100 62020 148.24 -2174.8 16247 -18422 -18422 -0.00076195 -0.00038097 0.00038097 5.021e+05 2024-05-08 17:46:21,175 INFO [main.py:798]
{rank 0/64} MD step = 310200 step time: 00:00:00.156947 Performance: 63.397 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 17:46:27,393 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 150.1 -1892.4 16451 -18344 -18344 -0.00062861 -0.00053336 -0.00013334 5.0223e+05 2024-05-08 17:46:43,428 INFO [main.py:798]
{rank 0/64} MD step = 310300 step time: 00:00:00.158947 Performance: 63.401 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 17:46:48,576 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 152.18 -1872.2 16679 -18551 -18551 -0.00091434 -0.00040002 0.00032383 5.0234e+05 2024-05-08 17:47:04,394 INFO [main.py:798]
{rank 0/64} MD step = 310400 step time: 00:00:00.170716 Performance: 63.406 ns/day 0.379 hours/ns 3.669 steps/s 2024-05-08 17:47:10,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310400 62080 149.88 -2135.4 16427 -18563 -18563 -0.00026668 -0.00085719 0.00044288 5.0257e+05 2024-05-08 17:47:25,568 INFO [main.py:798]
{rank 0/64} MD step = 310500 step time: 00:00:00.154902 Performance: 63.410 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 17:47:33,476 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 152.14 -1765.2 16675 -18440 -18440 -0.00043812 -0.00091434 0.00038097 5.0271e+05 2024-05-08 17:47:49,521 INFO [main.py:798]
{rank 0/64} MD step = 310600 step time: 00:00:00.158339 Performance: 63.413 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 17:47:55,577 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 150.45 -2002.7 16489 -18492 -18492 -0.00049527 -0.00072385 0.00045717 5.0291e+05 2024-05-08 17:48:15,339 INFO [main.py:798]
{rank 0/64} MD step = 310700 step time: 00:00:00.802497 Performance: 63.414 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 17:48:21,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310700 62140 151.12 -1737.5 16563 -18301 -18301 -0.00078576 -0.00030478 0.00069528 5.0304e+05 2024-05-08 17:48:37,236 INFO [main.py:798]
{rank 0/64} MD step = 310800 step time: 00:00:00.164994 Performance: 63.418 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 17:48:42,692 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 150.29 -1946.5 16472 -18419 -18419 -0.00011429 -0.00076195 0.00045717 5.0321e+05 2024-05-08 17:48:57,890 INFO [main.py:798]
{rank 0/64} MD step = 310900 step time: 00:00:00.152391 Performance: 63.423 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 17:49:04,249 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 148.11 -2145.8 16233 -18379 -18379 -0.00053336 -0.00034764 0.00057146 5.0338e+05 2024-05-08 17:49:20,834 INFO [main.py:798]
{rank 0/64} MD step = 311000 step time: 00:00:00.162920 Performance: 63.426 ns/day 0.378 hours/ns 3.670 steps/s 2024-05-08 17:49:26,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311000 62200 149.12 -1822.1 16343 -18165 -18165 -0.00060956 -0.00053336 0.00048574 5.0359e+05 2024-05-08 17:49:42,205 INFO [main.py:798]
{rank 0/64} MD step = 311100 step time: 00:00:00.155537 Performance: 63.430 ns/day 0.378 hours/ns 3.671 steps/s 2024-05-08 17:49:47,372 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 149.24 -1978.8 16357 -18336 -18336 -0.00038097 -0.00077147 0.00062861 5.0375e+05 2024-05-08 17:50:03,004 INFO [main.py:798]
{rank 0/64} MD step = 311200 step time: 00:00:00.148594 Performance: 63.435 ns/day 0.378 hours/ns 3.671 steps/s 2024-05-08 17:50:07,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311200 62240 148.95 -1872.8 16325 -18198 -18198 -0.00091434 -0.00060956 0.00091434 5.0393e+05 2024-05-08 17:50:24,917 INFO [main.py:798]
{rank 0/64} MD step = 311300 step time: 00:00:00.145514 Performance: 63.439 ns/day 0.378 hours/ns 3.671 steps/s 2024-05-08 17:50:30,891 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 149.21 -1844.8 16353 -18198 -18198 -0.00025716 -0.00099053 0.00060956 5.0409e+05 2024-05-08 17:50:46,915 INFO [main.py:798]
{rank 0/64} MD step = 311400 step time: 00:00:00.147007 Performance: 63.443 ns/day 0.378 hours/ns 3.671 steps/s 2024-05-08 17:50:55,088 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 146.91 -2122.8 16101 -18224 -18224 -0.00080005 -0.00057146 0.00049527 5.0425e+05 2024-05-08 17:51:10,866 INFO [main.py:798]
{rank 0/64} MD step = 311500 step time: 00:00:00.143064 Performance: 63.446 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 17:51:17,425 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 151.34 -2023 16587 -18610 -18610 -0.00040955 -0.00030478 0.0004286 5.0437e+05 2024-05-08 17:51:33,133 INFO [main.py:798]
{rank 0/64} MD step = 311600 step time: 00:00:00.144568 Performance: 63.449 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 17:51:38,953 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 149.79 -2177.6 16417 -18594 -18594 -0.00046669 -0.00038097 0.00064766 5.0449e+05 2024-05-08 17:51:55,038 INFO [main.py:798]
{rank 0/64} MD step = 311700 step time: 00:00:00.145318 Performance: 63.453 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 17:52:01,703 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 148.96 -2168.6 16326 -18494 -18494 -0.00062861 -0.00076195 0.00053336 5.0469e+05 2024-05-08 17:52:17,572 INFO [main.py:798]
{rank 0/64} MD step = 311800 step time: 00:00:00.150096 Performance: 63.457 ns/day 0.378 hours/ns 3.672 steps/s 2024-05-08 17:52:23,340 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 149.33 -2255.8 16367 -18623 -18623 -0.00030478 -0.00076195 0.00076195 5.0485e+05 2024-05-08 17:52:39,420 INFO [main.py:798]
{rank 0/64} MD step = 311900 step time: 00:00:00.154640 Performance: 63.461 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 17:52:45,194 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 150.15 -2182.2 16456 -18639 -18639 -0.00068575 -0.00081909 0.00038097 5.05e+05 2024-05-08 17:53:00,951 INFO [main.py:798]
{rank 0/64} MD step = 312000 step time: 00:00:00.147461 Performance: 63.465 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 17:53:06,459 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 149.22 -2073.1 16354 -18427 -18427 -0.00080005 -0.00064766 0.00057146 5.0519e+05 2024-05-08 17:53:23,431 INFO [main.py:798]
{rank 0/64} MD step = 312100 step time: 00:00:00.159973 Performance: 63.469 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 17:53:28,717 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 152.13 -1726.1 16674 -18400 -18400 -0.00055241 -0.00060003 0.00083814 5.054e+05 2024-05-08 17:53:44,497 INFO [main.py:798]
{rank 0/64} MD step = 312200 step time: 00:00:00.156603 Performance: 63.473 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 17:53:49,665 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 150.68 -1917.8 16515 -18433 -18433 -0.00064766 -0.00040955 0.00041907 5.0555e+05 2024-05-08 17:54:05,646 INFO [main.py:798]
{rank 0/64} MD step = 312300 step time: 00:00:00.157792 Performance: 63.478 ns/day 0.378 hours/ns 3.673 steps/s 2024-05-08 17:54:16,200 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 151.15 -1984.2 16566 -18550 -18550 -0.00041907 -0.0010096 0.00081909 5.0572e+05 2024-05-08 17:54:32,055 INFO [main.py:798]
{rank 0/64} MD step = 312400 step time: 00:00:00.164855 Performance: 63.478 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 17:54:36,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312400 62480 150.25 -1956.2 16468 -18424 -18424 -0.0006667 -0.00064766 0.00049527 5.059e+05 2024-05-08 17:54:53,288 INFO [main.py:798]
{rank 0/64} MD step = 312500 step time: 00:00:00.171947 Performance: 63.483 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 17:54:59,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312500 62500 149.9 -2230.2 16429 -18659 -18659 -0.00085719 -0.00095243 0.00060956 5.0605e+05 2024-05-08 17:55:14,985 INFO [main.py:798]
{rank 0/64} MD step = 312600 step time: 00:00:00.163492 Performance: 63.487 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 17:55:21,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312600 62520 151.19 -1866.1 16571 -18437 -18437 -0.0010096 -0.00038097 0.0010096 5.0624e+05 2024-05-08 17:55:37,544 INFO [main.py:798]
{rank 0/64} MD step = 312700 step time: 00:00:00.161797 Performance: 63.490 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 17:55:44,948 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 149.29 -2137.7 16362 -18500 -18500 -0.00051431 -0.00047622 0.00043812 5.0643e+05 2024-05-08 17:56:00,652 INFO [main.py:798]
{rank 0/64} MD step = 312800 step time: 00:00:00.164530 Performance: 63.493 ns/day 0.378 hours/ns 3.674 steps/s 2024-05-08 17:56:07,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312800 62560 149.56 -2023.7 16392 -18416 -18416 -0.00047622 -0.00072385 0.00068575 5.066e+05 2024-05-08 17:56:23,203 INFO [main.py:798]
{rank 0/64} MD step = 312900 step time: 00:00:00.158493 Performance: 63.497 ns/day 0.378 hours/ns 3.675 steps/s 2024-05-08 17:56:30,195 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 152.56 -1447.5 16721 -18168 -18168 -0.00082862 -0.00053336 0.00046669 5.0674e+05 2024-05-08 17:56:45,656 INFO [main.py:798]
{rank 0/64} MD step = 313000 step time: 00:00:00.157444 Performance: 63.501 ns/day 0.378 hours/ns 3.675 steps/s 2024-05-08 17:56:51,131 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 153.08 -1524.4 16777 -18302 -18302 -0.00081909 -0.00030478 0.00036193 5.0689e+05 2024-05-08 17:57:06,735 INFO [main.py:798]
{rank 0/64} MD step = 313100 step time: 00:00:00.162969 Performance: 63.505 ns/day 0.378 hours/ns 3.675 steps/s 2024-05-08 17:57:12,300 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 150.37 -1744.7 16481 -18225 -18225 -0.00064766 -0.00038097 0.00053336 5.0706e+05 2024-05-08 17:57:28,110 INFO [main.py:798]
{rank 0/64} MD step = 313200 step time: 00:00:00.158488 Performance: 63.509 ns/day 0.378 hours/ns 3.675 steps/s 2024-05-08 17:57:31,398 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 150.45 -2053 16489 -18542 -18542 -0.00041907 -0.00034288 0.0005286 5.0718e+05 2024-05-08 17:57:49,222 INFO [main.py:798]
{rank 0/64} MD step = 313300 step time: 00:00:00.159091 Performance: 63.514 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 17:57:55,730 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 150.53 -2176.3 16498 -18674 -18674 -0.00087624 -0.00034288 0.0010286 5.0735e+05 2024-05-08 17:58:11,711 INFO [main.py:798]
{rank 0/64} MD step = 313400 step time: 00:00:00.161593 Performance: 63.517 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 17:58:16,786 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 150.89 -1944.2 16538 -18482 -18482 -0.00038097 -0.00028573 0.00053336 5.075e+05 2024-05-08 17:58:33,020 INFO [main.py:798]
{rank 0/64} MD step = 313500 step time: 00:00:00.156416 Performance: 63.522 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 17:58:38,694 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 151.06 -1825.6 16556 -18382 -18382 -0.00049527 -0.00083814 0.00051431 5.0766e+05 2024-05-08 17:58:55,263 INFO [main.py:798]
{rank 0/64} MD step = 313600 step time: 00:00:00.158650 Performance: 63.526 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 17:59:01,724 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 150.49 -1793.2 16494 -18287 -18287 -0.00083814 -0.00064766 0.00072385 5.0782e+05 2024-05-08 17:59:18,523 INFO [main.py:798]
{rank 0/64} MD step = 313700 step time: 00:00:00.162124 Performance: 63.529 ns/day 0.378 hours/ns 3.676 steps/s 2024-05-08 17:59:24,812 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 151.06 -1712 16556 -18268 -18268 -0.00053336 -0.00038097 0.00072385 5.0801e+05 2024-05-08 17:59:40,953 INFO [main.py:798]
{rank 0/64} MD step = 313800 step time: 00:00:00.164377 Performance: 63.532 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 17:59:47,948 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 151.73 -1546.4 16630 -18176 -18176 -0.00076195 -0.00047622 0.00080005 5.0816e+05 2024-05-08 18:00:03,476 INFO [main.py:798]
{rank 0/64} MD step = 313900 step time: 00:00:00.154957 Performance: 63.536 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 18:00:09,151 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 150.61 -1824 16507 -18331 -18331 -0.00053336 -0.00049527 0.00076195 5.0831e+05 2024-05-08 18:00:24,934 INFO [main.py:798]
{rank 0/64} MD step = 314000 step time: 00:00:00.153336 Performance: 63.540 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 18:00:31,449 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 149.94 -1966.1 16433 -18399 -18399 -0.00080005 -0.00049527 0.00041907 5.0848e+05 2024-05-08 18:00:47,115 INFO [main.py:798]
{rank 0/64} MD step = 314100 step time: 00:00:00.153532 Performance: 63.544 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 18:00:58,102 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 152.35 -1890.5 16698 -18588 -18588 -0.00069528 -0.0004286 0.00060003 5.0861e+05 2024-05-08 18:01:15,095 INFO [main.py:798]
{rank 0/64} MD step = 314200 step time: 00:00:00.151081 Performance: 63.543 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 18:01:21,040 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 150.13 -1803 16454 -18257 -18257 -0.00045717 -0.00080005 0.00062861 5.088e+05 2024-05-08 18:01:37,340 INFO [main.py:798]
{rank 0/64} MD step = 314300 step time: 00:00:00.150677 Performance: 63.547 ns/day 0.378 hours/ns 3.677 steps/s 2024-05-08 18:01:45,543 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 150.73 -1883.7 16520 -18404 -18404 -0.00085719 -0.00049527 0.00019049 5.0898e+05 2024-05-08 18:02:01,177 INFO [main.py:798]
{rank 0/64} MD step = 314400 step time: 00:00:00.149438 Performance: 63.549 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 18:02:07,888 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 151.68 -1861.3 16625 -18486 -18486 -0.00041431 -0.00045717 0.00043812 5.0915e+05 2024-05-08 18:02:23,717 INFO [main.py:798]
{rank 0/64} MD step = 314500 step time: 00:00:00.141061 Performance: 63.553 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 18:02:28,275 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 147.68 -2051.1 16186 -18237 -18237 -0.00057146 -0.00060956 0.00047622 5.0931e+05 2024-05-08 18:02:45,942 INFO [main.py:798]
{rank 0/64} MD step = 314600 step time: 00:00:00.153866 Performance: 63.556 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 18:02:53,433 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 150.29 -2009.4 16472 -18481 -18481 -0.00043812 -0.00076195 0.00072385 5.0947e+05 2024-05-08 18:03:10,078 INFO [main.py:798]
{rank 0/64} MD step = 314700 step time: 00:00:00.155577 Performance: 63.559 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 18:03:18,150 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 151.51 -1684 16606 -18290 -18290 -0.00080005 -0.00026668 0.00053336 5.0966e+05 2024-05-08 18:03:33,766 INFO [main.py:798]
{rank 0/64} MD step = 314800 step time: 00:00:00.157503 Performance: 63.561 ns/day 0.378 hours/ns 3.678 steps/s 2024-05-08 18:03:40,615 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 150.29 -1903 16472 -18375 -18375 -0.00041907 -0.00080005 0.00068575 5.098e+05 2024-05-08 18:03:56,018 INFO [main.py:798]
{rank 0/64} MD step = 314900 step time: 00:00:00.151056 Performance: 63.565 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 18:04:05,224 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 150.7 -1824.5 16517 -18342 -18342 -0.00060956 -0.00057146 0.00057146 5.0993e+05 2024-05-08 18:04:20,757 INFO [main.py:798]
{rank 0/64} MD step = 315000 step time: 00:00:00.166701 Performance: 63.567 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 18:04:26,980 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 149.55 -1934.5 16391 -18325 -18325 -0.00059051 -0.00041907 0.0003524 5.1011e+05 2024-05-08 18:04:42,524 INFO [main.py:798]
{rank 0/64} MD step = 315100 step time: 00:00:00.159767 Performance: 63.571 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 18:04:48,183 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 150.91 -2003.2 16540 -18543 -18543 -0.00053336 -0.000781 0.00029525 5.1027e+05 2024-05-08 18:05:03,408 INFO [main.py:798]
{rank 0/64} MD step = 315200 step time: 00:00:00.152608 Performance: 63.575 ns/day 0.378 hours/ns 3.679 steps/s 2024-05-08 18:05:07,617 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 151.62 -1666.2 16617 -18283 -18283 -0.00068575 -0.00020954 0.00080005 5.1043e+05 2024-05-08 18:05:25,349 INFO [main.py:798]
{rank 0/64} MD step = 315300 step time: 00:00:00.158276 Performance: 63.579 ns/day 0.377 hours/ns 3.679 steps/s 2024-05-08 18:05:31,052 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 149.48 -2046.9 16383 -18430 -18430 -0.00083814 -0.00063813 0.00052384 5.1055e+05 2024-05-08 18:05:46,551 INFO [main.py:798]
{rank 0/64} MD step = 315400 step time: 00:00:00.157143 Performance: 63.584 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:06:03,396 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 150.23 -2022.4 16465 -18487 -18487 -0.00020954 -0.00091434 0.00034288 5.1067e+05 2024-05-08 18:06:18,534 INFO [main.py:798]
{rank 0/64} MD step = 315500 step time: 00:00:00.155056 Performance: 63.580 ns/day 0.377 hours/ns 3.679 steps/s 2024-05-08 18:06:25,813 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 148.97 -2048.7 16327 -18376 -18376 -0.00069528 -0.00059051 0.00051431 5.1087e+05 2024-05-08 18:06:41,719 INFO [main.py:798]
{rank 0/64} MD step = 315600 step time: 00:00:00.157118 Performance: 63.583 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:06:52,660 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 149.43 -1904.5 16378 -18282 -18282 -0.0006667 -0.00087624 0 5.1102e+05 2024-05-08 18:07:08,567 INFO [main.py:798]
{rank 0/64} MD step = 315700 step time: 00:00:00.151921 Performance: 63.583 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:07:21,089 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 149.3 -2198.7 16363 -18562 -18562 -0.00076195 -0.0007429 0.00093339 5.1115e+05 2024-05-08 18:07:36,730 INFO [main.py:798]
{rank 0/64} MD step = 315800 step time: 00:00:00.165899 Performance: 63.583 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:07:52,187 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 149.49 -2034.9 16384 -18419 -18419 -0.00059051 -0.00076195 0.00076195 5.1135e+05 2024-05-08 18:08:08,675 INFO [main.py:798]
{rank 0/64} MD step = 315900 step time: 00:00:00.159120 Performance: 63.579 ns/day 0.377 hours/ns 3.679 steps/s 2024-05-08 18:08:16,608 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 149.96 -2105 16435 -18540 -18540 -0.00040002 -0.00061908 0.00053336 5.1149e+05 2024-05-08 18:08:32,276 INFO [main.py:798]
{rank 0/64} MD step = 316000 step time: 00:00:00.154944 Performance: 63.582 ns/day 0.377 hours/ns 3.679 steps/s 2024-05-08 18:08:38,106 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 150.63 -2024.3 16509 -18533 -18533 -0.00043336 -0.00047622 0.00053336 5.1164e+05 2024-05-08 18:08:54,002 INFO [main.py:798]
{rank 0/64} MD step = 316100 step time: 00:00:00.141085 Performance: 63.586 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:08:59,812 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 146.97 -2381.5 16109 -18490 -18490 -0.00080005 -0.00083814 0.00045717 5.1182e+05 2024-05-08 18:09:17,512 INFO [main.py:798]
{rank 0/64} MD step = 316200 step time: 00:00:00.155416 Performance: 63.588 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:09:24,178 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 147.91 -2192.7 16212 -18404 -18404 -0.00034288 -0.00045717 0.00056194 5.12e+05 2024-05-08 18:09:40,564 INFO [main.py:798]
{rank 0/64} MD step = 316300 step time: 00:00:00.152289 Performance: 63.591 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:09:48,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316300 63260 148.92 -2156.3 16322 -18478 -18478 -0.00068575 -0.0003905 0.00068575 5.1215e+05 2024-05-08 18:10:05,372 INFO [main.py:798]
{rank 0/64} MD step = 316400 step time: 00:00:00.151872 Performance: 63.593 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:10:09,022 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 151.01 -1974 16551 -18525 -18525 -0.00049527 -0.0003524 0.00059051 5.1232e+05 2024-05-08 18:10:26,730 INFO [main.py:798]
{rank 0/64} MD step = 316500 step time: 00:00:00.159305 Performance: 63.598 ns/day 0.377 hours/ns 3.680 steps/s 2024-05-08 18:10:32,299 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 149.75 -1906.6 16412 -18319 -18319 -0.00045717 -0.00099053 0.00049527 5.1247e+05 2024-05-08 18:10:48,178 INFO [main.py:798]
{rank 0/64} MD step = 316600 step time: 00:00:00.157713 Performance: 63.602 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 18:10:52,877 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 149.87 -1876.7 16426 -18303 -18303 -0.00072385 -0.00080005 0.00081909 5.1264e+05 2024-05-08 18:11:10,665 INFO [main.py:798]
{rank 0/64} MD step = 316700 step time: 00:00:00.158790 Performance: 63.605 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 18:11:17,043 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 150.88 -1810.7 16537 -18347 -18347 -0.00057146 -0.00051431 0.00040002 5.1277e+05 2024-05-08 18:11:32,635 INFO [main.py:798]
{rank 0/64} MD step = 316800 step time: 00:00:00.163264 Performance: 63.609 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 18:11:39,783 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 150.11 -2020.8 16452 -18473 -18473 -0.00068575 -0.00083814 0.00087624 5.1297e+05 2024-05-08 18:11:55,611 INFO [main.py:798]
{rank 0/64} MD step = 316900 step time: 00:00:00.167457 Performance: 63.612 ns/day 0.377 hours/ns 3.681 steps/s 2024-05-08 18:12:01,249 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 149.12 -2026 16344 -18370 -18370 -0.00085719 -0.00045717 0.00099053 5.1315e+05 2024-05-08 18:12:17,015 INFO [main.py:798]
{rank 0/64} MD step = 317000 step time: 00:00:00.165604 Performance: 63.616 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 18:12:21,986 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 148.79 -2259.9 16308 -18568 -18568 -0.00056194 -0.00068575 0.00041907 5.1332e+05 2024-05-08 18:12:37,497 INFO [main.py:798]
{rank 0/64} MD step = 317100 step time: 00:00:00.154907 Performance: 63.621 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 18:12:43,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317100 63420 151.53 -1478.2 16608 -18086 -18086 -0.00080005 -0.0003524 0.00076195 5.1348e+05 2024-05-08 18:12:59,009 INFO [main.py:798]
{rank 0/64} MD step = 317200 step time: 00:00:00.160115 Performance: 63.626 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 18:13:04,942 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 151.63 -1675 16619 -18294 -18294 -0.00038097 -0.00051431 0.0010286 5.1364e+05 2024-05-08 18:13:20,769 INFO [main.py:798]
{rank 0/64} MD step = 317300 step time: 00:00:00.158597 Performance: 63.629 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 18:13:35,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317300 63460 151.29 -1956.5 16582 -18539 -18539 -0.00040002 -0.00041907 0.00069052 5.1378e+05 2024-05-08 18:13:54,970 INFO [main.py:798]
{rank 0/64} MD step = 317400 step time: 00:00:00.160792 Performance: 63.624 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 18:14:00,191 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 149.69 -2064 16406 -18470 -18470 -0.00062861 -0.00072385 0.00049527 5.1394e+05 2024-05-08 18:14:16,166 INFO [main.py:798]
{rank 0/64} MD step = 317500 step time: 00:00:00.178841 Performance: 63.629 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 18:14:24,414 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 148.72 -1847.2 16300 -18147 -18147 -0.000781 -0.00099053 0.00076195 5.1416e+05 2024-05-08 18:14:40,444 INFO [main.py:798]
{rank 0/64} MD step = 317600 step time: 00:00:00.168039 Performance: 63.631 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 18:14:50,562 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 148.1 -2296.5 16232 -18529 -18529 -0.00076195 -0.0007048 0.00060956 5.1427e+05 2024-05-08 18:15:06,090 INFO [main.py:798]
{rank 0/64} MD step = 317700 step time: 00:00:00.156609 Performance: 63.632 ns/day 0.377 hours/ns 3.682 steps/s 2024-05-08 18:15:12,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317700 63540 152.12 -1826.9 16673 -18500 -18500 -0.00080005 -0.00041907 0.00029525 5.1444e+05 2024-05-08 18:15:28,049 INFO [main.py:798]
{rank 0/64} MD step = 317800 step time: 00:00:00.154896 Performance: 63.636 ns/day 0.377 hours/ns 3.683 steps/s 2024-05-08 18:15:33,338 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 147.05 -1951.8 16117 -18068 -18068 -0.00068575 -0.00061908 0.00045717 5.1467e+05 2024-05-08 18:15:49,105 INFO [main.py:798]
{rank 0/64} MD step = 317900 step time: 00:00:00.162443 Performance: 63.640 ns/day 0.377 hours/ns 3.683 steps/s 2024-05-08 18:15:54,874 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 151.42 -1829.8 16596 -18425 -18425 -0.00060003 -0.00080005 0.00057146 5.1483e+05 2024-05-08 18:16:10,454 INFO [main.py:798]
{rank 0/64} MD step = 318000 step time: 00:00:00.162441 Performance: 63.645 ns/day 0.377 hours/ns 3.683 steps/s 2024-05-08 18:16:15,816 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 151.07 -1698.4 16557 -18256 -18256 -0.00087624 -0.00053336 0.00057146 5.1501e+05 2024-05-08 18:16:31,211 INFO [main.py:798]
{rank 0/64} MD step = 318100 step time: 00:00:00.156691 Performance: 63.649 ns/day 0.377 hours/ns 3.683 steps/s 2024-05-08 18:16:41,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318100 63620 150.78 -1885.7 16526 -18412 -18412 -0.00026668 -0.00091434 0.00091434 5.1513e+05 2024-05-08 18:16:55,911 INFO [main.py:798]
{rank 0/64} MD step = 318200 step time: 00:00:00.156104 Performance: 63.651 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 18:17:00,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318200 63640 149.07 -1968.5 16339 -18307 -18307 -0.00080005 -0.00068575 0.00060956 5.1529e+05 2024-05-08 18:17:18,597 INFO [main.py:798]
{rank 0/64} MD step = 318300 step time: 00:00:00.153506 Performance: 63.654 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 18:17:25,454 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 148.46 -1974.7 16271 -18246 -18246 -0.00076195 -0.00087624 0.00059051 5.1548e+05 2024-05-08 18:17:40,899 INFO [main.py:798]
{rank 0/64} MD step = 318400 step time: 00:00:00.158871 Performance: 63.658 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 18:17:45,025 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 149.15 -2209.7 16347 -18557 -18557 -0.00080005 -0.00018096 0.00055241 5.1563e+05 2024-05-08 18:18:03,778 INFO [main.py:798]
{rank 0/64} MD step = 318500 step time: 00:00:00.165407 Performance: 63.661 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 18:18:09,764 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 150.01 -1991.7 16441 -18433 -18433 -0.00072385 -0.00049527 0.00060956 5.1579e+05 2024-05-08 18:18:25,025 INFO [main.py:798]
{rank 0/64} MD step = 318600 step time: 00:00:00.168668 Performance: 63.665 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 18:18:32,604 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 150.55 -1811.2 16501 -18312 -18312 -0.00049527 -0.00053336 0.00045717 5.1596e+05 2024-05-08 18:18:48,516 INFO [main.py:798]
{rank 0/64} MD step = 318700 step time: 00:00:00.165255 Performance: 63.668 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 18:19:00,739 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 151.67 -2129.6 16623 -18753 -18753 -0.00076195 -0.00091434 0.00049527 5.1612e+05 2024-05-08 18:19:17,071 INFO [main.py:798]
{rank 0/64} MD step = 318800 step time: 00:00:00.154015 Performance: 63.667 ns/day 0.377 hours/ns 3.684 steps/s 2024-05-08 18:19:25,752 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 150.02 -2163.2 16443 -18606 -18606 -0.00041907 -0.00043812 0.00047622 5.1632e+05 2024-05-08 18:19:41,880 INFO [main.py:798]
{rank 0/64} MD step = 318900 step time: 00:00:00.149496 Performance: 63.669 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 18:19:52,513 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 150.49 -2123.5 16494 -18617 -18617 -0.00062861 -0.00048574 0.00047622 5.1644e+05 2024-05-08 18:20:08,651 INFO [main.py:798]
{rank 0/64} MD step = 319000 step time: 00:00:00.156646 Performance: 63.669 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 18:20:13,559 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 148.92 -1983.8 16321 -18305 -18305 -0.00057146 -0.00072385 0.00049527 5.1665e+05 2024-05-08 18:20:30,716 INFO [main.py:798]
{rank 0/64} MD step = 319100 step time: 00:00:00.153932 Performance: 63.673 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 18:20:41,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319100 63820 149.08 -2221.9 16339 -18561 -18561 -0.00069528 -0.00085719 0.00046669 5.168e+05 2024-05-08 18:20:56,799 INFO [main.py:798]
{rank 0/64} MD step = 319200 step time: 00:00:00.159850 Performance: 63.674 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 18:21:02,706 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 150.86 -1771.1 16535 -18306 -18306 -0.00038097 -0.00041907 0.00076195 5.1701e+05 2024-05-08 18:21:18,705 INFO [main.py:798]
{rank 0/64} MD step = 319300 step time: 00:00:00.151096 Performance: 63.677 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 18:21:23,991 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 151.3 -1895.4 16582 -18478 -18478 -0.00057146 -0.00064766 0.00010477 5.1718e+05 2024-05-08 18:21:39,523 INFO [main.py:798]
{rank 0/64} MD step = 319400 step time: 00:00:00.152801 Performance: 63.682 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 18:21:47,771 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 150.19 -2018.5 16461 -18479 -18479 -0.00053813 -0.00071433 0.00053336 5.1737e+05 2024-05-08 18:22:03,028 INFO [main.py:798]
{rank 0/64} MD step = 319500 step time: 00:00:00.150959 Performance: 63.685 ns/day 0.377 hours/ns 3.685 steps/s 2024-05-08 18:22:08,901 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 150.51 -1880.9 16496 -18377 -18377 -0.00076195 -0.0007048 0.00044764 5.1756e+05 2024-05-08 18:22:24,525 INFO [main.py:798]
{rank 0/64} MD step = 319600 step time: 00:00:00.156895 Performance: 63.689 ns/day 0.377 hours/ns 3.686 steps/s 2024-05-08 18:22:30,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319600 63920 149.06 -2265.3 16337 -18602 -18602 -0.0007048 -0.00049527 0.00036193 5.1769e+05 2024-05-08 18:22:46,385 INFO [main.py:798]
{rank 0/64} MD step = 319700 step time: 00:00:00.156328 Performance: 63.693 ns/day 0.377 hours/ns 3.686 steps/s 2024-05-08 18:22:52,756 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 149.09 -2134.5 16340 -18475 -18475 -0.00045717 -0.00057146 0.00041907 5.1791e+05 2024-05-08 18:23:08,899 INFO [main.py:798]
{rank 0/64} MD step = 319800 step time: 00:00:00.164173 Performance: 63.696 ns/day 0.377 hours/ns 3.686 steps/s 2024-05-08 18:23:14,704 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 146.57 -2475.4 16064 -18539 -18539 -0.00071433 -0.00036193 0.00045717 5.1798e+05 2024-05-08 18:23:31,246 INFO [main.py:798]
{rank 0/64} MD step = 319900 step time: 00:00:00.157678 Performance: 63.700 ns/day 0.377 hours/ns 3.686 steps/s 2024-05-08 18:23:35,833 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 149.26 -2071.1 16360 -18431 -18431 -0.00087624 -0.00060956 0.00049527 5.1816e+05 2024-05-08 18:23:53,819 INFO [main.py:798]
{rank 0/64} MD step = 320000 step time: 00:00:00.154913 Performance: 63.703 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 18:23:59,606 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 148.61 -2086.4 16288 -18375 -18375 -0.00053336 -0.00060956 0.00062861 5.1834e+05 2024-05-08 18:24:15,478 INFO [main.py:798]
{rank 0/64} MD step = 320100 step time: 00:00:00.159304 Performance: 63.707 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 18:24:20,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320100 64020 150.77 -1776.7 16524 -18301 -18301 -0.00080005 -0.00069528 0.00079052 5.1851e+05 2024-05-08 18:24:36,018 INFO [main.py:798]
{rank 0/64} MD step = 320200 step time: 00:00:00.167255 Performance: 63.712 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 18:24:42,109 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 148.53 -2069.8 16279 -18349 -18349 -0.00045717 -0.00040002 0.00079052 5.1861e+05 2024-05-08 18:24:57,676 INFO [main.py:798]
{rank 0/64} MD step = 320300 step time: 00:00:00.163379 Performance: 63.716 ns/day 0.377 hours/ns 3.687 steps/s 2024-05-08 18:25:02,696 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 151.74 -1873.9 16631 -18505 -18505 -0.00040002 -0.00085719 0.0010096 5.1876e+05 2024-05-08 18:25:18,155 INFO [main.py:798]
{rank 0/64} MD step = 320400 step time: 00:00:00.160819 Performance: 63.721 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 18:25:23,295 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 151.07 -1871.8 16558 -18429 -18429 -0.0006667 -0.00040002 0.00099053 5.1897e+05 2024-05-08 18:25:38,458 INFO [main.py:798]
{rank 0/64} MD step = 320500 step time: 00:00:00.164272 Performance: 63.726 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 18:25:44,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320500 64100 150.11 -2120.6 16452 -18572 -18572 -0.00044764 -0.00045717 0.00059051 5.1917e+05 2024-05-08 18:25:59,777 INFO [main.py:798]
{rank 0/64} MD step = 320600 step time: 00:00:00.160811 Performance: 63.730 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 18:26:06,152 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 149.2 -2380.8 16352 -18733 -18733 -0.00045717 -0.00072385 0.00064766 5.1935e+05 2024-05-08 18:26:21,660 INFO [main.py:798]
{rank 0/64} MD step = 320700 step time: 00:00:00.150451 Performance: 63.734 ns/day 0.377 hours/ns 3.688 steps/s 2024-05-08 18:26:27,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320700 64140 150.61 -2127.2 16507 -18634 -18634 -0.00080005 -0.00072385 0.00034288 5.1957e+05 2024-05-08 18:26:42,516 INFO [main.py:798]
{rank 0/64} MD step = 320800 step time: 00:00:00.150204 Performance: 63.738 ns/day 0.377 hours/ns 3.689 steps/s 2024-05-08 18:26:47,770 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 151.95 -1812 16654 -18466 -18466 -0.00064766 -0.00057146 0.00064766 5.1973e+05 2024-05-08 18:27:03,826 INFO [main.py:798]
{rank 0/64} MD step = 320900 step time: 00:00:00.153040 Performance: 63.743 ns/day 0.377 hours/ns 3.689 steps/s 2024-05-08 18:27:09,298 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 149.96 -2036.1 16436 -18472 -18472 -0.00034288 -0.00087624 0.00062861 5.1987e+05 2024-05-08 18:27:25,623 INFO [main.py:798]
{rank 0/64} MD step = 321000 step time: 00:00:00.160164 Performance: 63.746 ns/day 0.376 hours/ns 3.689 steps/s 2024-05-08 18:27:32,579 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 147.43 -2312.1 16159 -18471 -18471 -0.00079052 -0.00064766 0.00043812 5.2004e+05 2024-05-08 18:27:48,505 INFO [main.py:798]
{rank 0/64} MD step = 321100 step time: 00:00:00.154100 Performance: 63.750 ns/day 0.376 hours/ns 3.689 steps/s 2024-05-08 18:27:54,489 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 151.01 -2016.6 16550 -18567 -18567 -0.00041907 -0.00038097 1.9049e-05 5.2017e+05 2024-05-08 18:28:10,875 INFO [main.py:798]
{rank 0/64} MD step = 321200 step time: 00:00:00.160577 Performance: 63.753 ns/day 0.376 hours/ns 3.689 steps/s 2024-05-08 18:28:16,166 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 150.16 -2254.2 16457 -18712 -18712 -0.00072385 -0.0010667 0.00055241 5.2032e+05 2024-05-08 18:28:32,376 INFO [main.py:798]
{rank 0/64} MD step = 321300 step time: 00:00:00.151105 Performance: 63.757 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 18:28:37,910 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 147.76 -2175.5 16194 -18370 -18370 -0.00064766 -0.00051431 0.00060956 5.2052e+05 2024-05-08 18:28:53,897 INFO [main.py:798]
{rank 0/64} MD step = 321400 step time: 00:00:00.156059 Performance: 63.761 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 18:28:59,511 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 149.01 -1993.7 16332 -18325 -18325 -0.00038097 -0.00051431 0.00088576 5.2074e+05 2024-05-08 18:29:15,447 INFO [main.py:798]
{rank 0/64} MD step = 321500 step time: 00:00:00.155921 Performance: 63.765 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 18:29:22,085 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 149.7 -1939.4 16407 -18346 -18346 -0.00057146 -0.00025716 0.00041907 5.2089e+05 2024-05-08 18:29:38,909 INFO [main.py:798]
{rank 0/64} MD step = 321600 step time: 00:00:00.160322 Performance: 63.768 ns/day 0.376 hours/ns 3.690 steps/s 2024-05-08 18:29:44,102 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 151.1 -1867.4 16561 -18429 -18429 -0.00089529 -0.00064766 0.00076195 5.2106e+05 2024-05-08 18:29:59,747 INFO [main.py:798]
{rank 0/64} MD step = 321700 step time: 00:00:00.161745 Performance: 63.773 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 18:30:06,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321700 64340 149.82 -1936 16421 -18357 -18357 -0.00089529 -0.00036193 0.00027621 5.212e+05 2024-05-08 18:30:21,823 INFO [main.py:798]
{rank 0/64} MD step = 321800 step time: 00:00:00.160666 Performance: 63.776 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 18:30:28,307 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 149.11 -2224.3 16343 -18567 -18567 -0.00057146 -0.00068575 0.00072385 5.2134e+05 2024-05-08 18:30:43,747 INFO [main.py:798]
{rank 0/64} MD step = 321900 step time: 00:00:00.158833 Performance: 63.780 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 18:30:49,601 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 149.89 -2049 16429 -18478 -18478 -0.00041907 -0.00034288 0.00026668 5.215e+05 2024-05-08 18:31:04,791 INFO [main.py:798]
{rank 0/64} MD step = 322000 step time: 00:00:00.141985 Performance: 63.784 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 18:31:16,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322000 64400 149.58 -2259.5 16394 -18653 -18653 -0.00089529 -0.0007048 0.00091434 5.2164e+05 2024-05-08 18:31:31,985 INFO [main.py:798]
{rank 0/64} MD step = 322100 step time: 00:00:00.158569 Performance: 63.784 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 18:31:37,478 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 150.26 -2073.7 16469 -18542 -18542 -0.000781 -0.00080005 0.00022858 5.2183e+05 2024-05-08 18:31:53,274 INFO [main.py:798]
{rank 0/64} MD step = 322200 step time: 00:00:00.170730 Performance: 63.789 ns/day 0.376 hours/ns 3.691 steps/s 2024-05-08 18:32:02,056 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 152.1 -1587.3 16670 -18257 -18257 -0.00045717 -0.00083814 0.00034288 5.2202e+05 2024-05-08 18:32:17,639 INFO [main.py:798]
{rank 0/64} MD step = 322300 step time: 00:00:00.164529 Performance: 63.791 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 18:32:22,649 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 151.21 -1902.7 16572 -18475 -18475 -0.00072385 -0.00072385 0.00062861 5.2213e+05 2024-05-08 18:32:38,714 INFO [main.py:798]
{rank 0/64} MD step = 322400 step time: 00:00:00.163416 Performance: 63.795 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 18:32:44,561 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 153.77 -1355.5 16854 -18209 -18209 -0.00068575 -0.00058099 0.00069528 5.2234e+05 2024-05-08 18:33:00,137 INFO [main.py:798]
{rank 0/64} MD step = 322500 step time: 00:00:00.159175 Performance: 63.799 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 18:33:05,114 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 150.16 -1986.6 16458 -18444 -18444 -0.00045717 -0.00072385 0.00053336 5.2247e+05 2024-05-08 18:33:21,241 INFO [main.py:798]
{rank 0/64} MD step = 322600 step time: 00:00:00.159446 Performance: 63.803 ns/day 0.376 hours/ns 3.692 steps/s 2024-05-08 18:33:26,579 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 149.69 -2135.5 16406 -18542 -18542 -0.00051431 -0.00075242 0.00087624 5.2264e+05 2024-05-08 18:33:42,183 INFO [main.py:798]
{rank 0/64} MD step = 322700 step time: 00:00:00.159288 Performance: 63.808 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 18:33:47,489 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 150.18 -1846.1 16460 -18306 -18306 -0.00096196 -0.00097148 0.00045717 5.2284e+05 2024-05-08 18:34:03,075 INFO [main.py:798]
{rank 0/64} MD step = 322800 step time: 00:00:00.164962 Performance: 63.812 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 18:34:08,343 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 152.04 -1832.5 16664 -18497 -18497 -0.00072385 -0.00060956 0.00087624 5.23e+05 2024-05-08 18:34:23,607 INFO [main.py:798]
{rank 0/64} MD step = 322900 step time: 00:00:00.133465 Performance: 63.817 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 18:34:29,679 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 149.09 -2064 16340 -18404 -18404 -0.00064766 -0.00080005 0.00045717 5.2317e+05 2024-05-08 18:34:44,938 INFO [main.py:798]
{rank 0/64} MD step = 323000 step time: 00:00:00.147202 Performance: 63.821 ns/day 0.376 hours/ns 3.693 steps/s 2024-05-08 18:34:51,007 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 149.68 -2047.3 16406 -18453 -18453 -0.00053336 -0.00063813 0.00026668 5.2335e+05 2024-05-08 18:35:07,052 INFO [main.py:798]
{rank 0/64} MD step = 323100 step time: 00:00:00.141090 Performance: 63.825 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 18:35:12,454 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 149.38 -2220.7 16372 -18592 -18592 -0.00095243 -0.0006667 0.000781 5.235e+05 2024-05-08 18:35:28,369 INFO [main.py:798]
{rank 0/64} MD step = 323200 step time: 00:00:00.161876 Performance: 63.829 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 18:35:33,915 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 152.37 -1864.8 16700 -18565 -18565 -0.00062861 -0.00080005 0.00041907 5.2367e+05 2024-05-08 18:35:50,192 INFO [main.py:798]
{rank 0/64} MD step = 323300 step time: 00:00:00.154978 Performance: 63.833 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 18:35:55,134 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 149.07 -1902.9 16338 -18241 -18241 -0.00064766 -0.00076195 0.00085719 5.2384e+05 2024-05-08 18:36:11,727 INFO [main.py:798]
{rank 0/64} MD step = 323400 step time: 00:00:00.161861 Performance: 63.837 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 18:36:18,551 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 149.7 -2094.3 16407 -18501 -18501 -0.00081433 -0.00087624 0.00045717 5.2395e+05 2024-05-08 18:36:34,340 INFO [main.py:798]
{rank 0/64} MD step = 323500 step time: 00:00:00.162239 Performance: 63.840 ns/day 0.376 hours/ns 3.694 steps/s 2024-05-08 18:36:41,833 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 150.31 -1714.3 16474 -18188 -18188 -0.00045717 -0.00095243 0.00080005 5.2409e+05 2024-05-08 18:36:57,923 INFO [main.py:798]
{rank 0/64} MD step = 323600 step time: 00:00:00.159335 Performance: 63.843 ns/day 0.376 hours/ns 3.695 steps/s 2024-05-08 18:37:04,728 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 151.86 -1658.8 16645 -18303 -18303 -0.00076195 -0.00041907 0.00099053 5.2428e+05 2024-05-08 18:37:20,492 INFO [main.py:798]
{rank 0/64} MD step = 323700 step time: 00:00:00.166862 Performance: 63.846 ns/day 0.376 hours/ns 3.695 steps/s 2024-05-08 18:37:27,305 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 151.83 -1869.6 16641 -18510 -18510 -0.00071433 -0.00053336 0.00069528 5.2445e+05 2024-05-08 18:37:42,500 INFO [main.py:798]
{rank 0/64} MD step = 323800 step time: 00:00:00.159610 Performance: 63.850 ns/day 0.376 hours/ns 3.695 steps/s 2024-05-08 18:37:48,697 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 149.02 -2052.5 16333 -18385 -18385 -0.00090481 -0.00057146 0.00080005 5.2462e+05 2024-05-08 18:38:04,669 INFO [main.py:798]
{rank 0/64} MD step = 323900 step time: 00:00:00.157221 Performance: 63.853 ns/day 0.376 hours/ns 3.695 steps/s 2024-05-08 18:38:10,978 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 151.77 -1574.3 16634 -18208 -18208 -0.00096196 -0.00076195 0.00076195 5.2479e+05 2024-05-08 18:38:26,823 INFO [main.py:798]
{rank 0/64} MD step = 324000 step time: 00:00:00.164432 Performance: 63.857 ns/day 0.376 hours/ns 3.695 steps/s 2024-05-08 18:38:34,602 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 151.62 -1655 16617 -18272 -18272 -0.00045717 -0.00053336 0.00012382 5.249e+05 2024-05-08 18:38:49,770 INFO [main.py:798]
{rank 0/64} MD step = 324100 step time: 00:00:00.153760 Performance: 63.860 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 18:38:53,531 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 149.53 -1825.5 16389 -18215 -18215 -0.00076195 -0.0006667 0.00070956 5.2508e+05 2024-05-08 18:39:10,767 INFO [main.py:798]
{rank 0/64} MD step = 324200 step time: 00:00:00.156424 Performance: 63.864 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 18:39:16,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324200 64840 149.95 -1853.9 16435 -18289 -18289 -0.00091434 -0.00060956 0.0003143 5.2525e+05 2024-05-08 18:39:32,448 INFO [main.py:798]
{rank 0/64} MD step = 324300 step time: 00:00:00.143330 Performance: 63.868 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 18:39:38,800 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 149.47 -1922.8 16382 -18305 -18305 -0.0007429 -0.00045717 0.00032383 5.2546e+05 2024-05-08 18:39:54,414 INFO [main.py:798]
{rank 0/64} MD step = 324400 step time: 00:00:00.145929 Performance: 63.872 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 18:40:01,919 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 149.71 -2031 16409 -18440 -18440 -0.00049527 -0.00049527 0.00087624 5.2559e+05 2024-05-08 18:40:18,271 INFO [main.py:798]
{rank 0/64} MD step = 324500 step time: 00:00:00.155387 Performance: 63.874 ns/day 0.376 hours/ns 3.696 steps/s 2024-05-08 18:40:25,951 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 150.57 -1889.1 16503 -18392 -18392 -0.00047622 -0.00049527 0.00015239 5.2577e+05 2024-05-08 18:40:41,398 INFO [main.py:798]
{rank 0/64} MD step = 324600 step time: 00:00:00.142421 Performance: 63.877 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:40:48,309 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 151.64 -1929.9 16620 -18549 -18549 -0.00095243 -0.00056194 0.00045717 5.259e+05 2024-05-08 18:41:04,481 INFO [main.py:798]
{rank 0/64} MD step = 324700 step time: 00:00:00.146057 Performance: 63.880 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:41:11,373 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 148.85 -1987.8 16314 -18302 -18302 -0.00091434 -0.00038097 0.00060956 5.2606e+05 2024-05-08 18:41:27,200 INFO [main.py:798]
{rank 0/64} MD step = 324800 step time: 00:00:00.135713 Performance: 63.883 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:41:40,030 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 149.03 -1938.5 16334 -18272 -18272 -0.00076195 -0.00045717 0.0004286 5.2621e+05 2024-05-08 18:41:55,525 INFO [main.py:798]
{rank 0/64} MD step = 324900 step time: 00:00:00.135532 Performance: 63.882 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:42:12,163 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 151.86 -1344.9 16644 -17989 -17989 -0.00076195 -0.00072385 0.00064766 5.2641e+05 2024-05-08 18:42:28,141 INFO [main.py:798]
{rank 0/64} MD step = 325000 step time: 00:00:00.159328 Performance: 63.878 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:42:37,639 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 147.51 -2139.3 16168 -18307 -18307 -0.00086672 -0.00053336 0.00053336 5.2652e+05 2024-05-08 18:42:52,482 INFO [main.py:798]
{rank 0/64} MD step = 325100 step time: 00:00:00.150007 Performance: 63.880 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:42:59,486 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 148.98 -2054.8 16328 -18383 -18383 -0.00040002 -0.0007429 0.00057146 5.2666e+05 2024-05-08 18:43:14,808 INFO [main.py:798]
{rank 0/64} MD step = 325200 step time: 00:00:00.143056 Performance: 63.884 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:43:21,156 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 146.34 -2118.2 16040 -18158 -18158 -0.00036193 -0.00064766 0.00043812 5.2676e+05 2024-05-08 18:43:37,362 INFO [main.py:798]
{rank 0/64} MD step = 325300 step time: 00:00:00.155094 Performance: 63.887 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:43:43,858 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 150.18 -2009.9 16460 -18470 -18470 -0.00045717 -0.00077147 0.00057146 5.2693e+05 2024-05-08 18:43:59,575 INFO [main.py:798]
{rank 0/64} MD step = 325400 step time: 00:00:00.160831 Performance: 63.890 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:44:05,740 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 149.67 -1894.9 16404 -18299 -18299 -0.0010382 -0.00057622 0.00051431 5.2709e+05 2024-05-08 18:44:21,837 INFO [main.py:798]
{rank 0/64} MD step = 325500 step time: 00:00:00.164181 Performance: 63.894 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 18:44:31,238 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 149.52 -1964.2 16387 -18351 -18351 -0.00064766 -0.00064766 0.00076195 5.2725e+05 2024-05-08 18:44:47,257 INFO [main.py:798]
{rank 0/64} MD step = 325600 step time: 00:00:00.154921 Performance: 63.895 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 18:45:02,748 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 149.32 -2148.6 16366 -18514 -18514 -0.00053336 -0.0010096 0.00046669 5.2738e+05 2024-05-08 18:45:19,122 INFO [main.py:798]
{rank 0/64} MD step = 325700 step time: 00:00:00.164875 Performance: 63.892 ns/day 0.376 hours/ns 3.697 steps/s 2024-05-08 18:45:24,069 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 149.49 -2152.6 16384 -18537 -18537 -0.00097148 -0.00060956 0.00092386 5.2757e+05 2024-05-08 18:45:41,722 INFO [main.py:798]
{rank 0/64} MD step = 325800 step time: 00:00:00.153945 Performance: 63.895 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 18:45:48,513 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 150.1 -2075.4 16452 -18527 -18527 -0.00060956 -0.00087624 0.00053336 5.2774e+05 2024-05-08 18:46:04,634 INFO [main.py:798]
{rank 0/64} MD step = 325900 step time: 00:00:00.148322 Performance: 63.898 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 18:46:11,109 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 148.77 -2242.7 16305 -18548 -18548 -0.00056194 -0.00032383 0.00053336 5.279e+05 2024-05-08 18:46:27,448 INFO [main.py:798]
{rank 0/64} MD step = 326000 step time: 00:00:00.158615 Performance: 63.901 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 18:46:34,177 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 151.35 -1953.7 16588 -18542 -18542 -0.00089529 -0.00041907 0.00076195 5.2809e+05 2024-05-08 18:46:50,177 INFO [main.py:798]
{rank 0/64} MD step = 326100 step time: 00:00:00.146095 Performance: 63.904 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 18:46:56,067 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 151.65 -1594 16621 -18215 -18215 -0.00049527 -0.00080005 0.00049527 5.2826e+05 2024-05-08 18:47:11,763 INFO [main.py:798]
{rank 0/64} MD step = 326200 step time: 00:00:00.138645 Performance: 63.908 ns/day 0.376 hours/ns 3.698 steps/s 2024-05-08 18:47:18,545 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 147.31 -2207.2 16145 -18352 -18352 -0.00059051 -0.00046669 0.00045717 5.2841e+05 2024-05-08 18:47:33,681 INFO [main.py:798]
{rank 0/64} MD step = 326300 step time: 00:00:00.153218 Performance: 63.912 ns/day 0.376 hours/ns 3.699 steps/s 2024-05-08 18:47:39,529 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 150.92 -1695 16540 -18235 -18235 -0.00064766 -0.00083814 0.00041907 5.2858e+05 2024-05-08 18:47:55,613 INFO [main.py:798]
{rank 0/64} MD step = 326400 step time: 00:00:00.143909 Performance: 63.915 ns/day 0.375 hours/ns 3.699 steps/s 2024-05-08 18:48:02,423 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 147.63 -2209.3 16181 -18390 -18390 -0.00062861 -0.00068575 0.00085719 5.2871e+05 2024-05-08 18:48:18,111 INFO [main.py:798]
{rank 0/64} MD step = 326500 step time: 00:00:00.153672 Performance: 63.919 ns/day 0.375 hours/ns 3.699 steps/s 2024-05-08 18:48:23,632 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 151.83 -1502.5 16641 -18143 -18143 -0.00080005 -0.00036193 0.00068575 5.289e+05 2024-05-08 18:48:39,819 INFO [main.py:798]
{rank 0/64} MD step = 326600 step time: 00:00:00.159244 Performance: 63.923 ns/day 0.375 hours/ns 3.699 steps/s 2024-05-08 18:48:46,334 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 150.42 -1844 16486 -18330 -18330 -0.00095243 -0.0003143 0.00032383 5.2907e+05 2024-05-08 18:49:01,856 INFO [main.py:798]
{rank 0/64} MD step = 326700 step time: 00:00:00.168172 Performance: 63.926 ns/day 0.375 hours/ns 3.699 steps/s 2024-05-08 18:49:08,250 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 149.69 -2069.1 16407 -18476 -18476 -0.00049527 -0.00020954 0.00054289 5.292e+05 2024-05-08 18:49:23,638 INFO [main.py:798]
{rank 0/64} MD step = 326800 step time: 00:00:00.149174 Performance: 63.930 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 18:49:29,837 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 150.32 -1914.7 16475 -18390 -18390 -0.00072385 -0.00045717 0.00056194 5.2939e+05 2024-05-08 18:49:47,968 INFO [main.py:798]
{rank 0/64} MD step = 326900 step time: 00:00:00.148652 Performance: 63.932 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 18:49:54,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326900 65380 149.28 -1886.3 16361 -18247 -18247 -0.00040002 -0.00068575 0.00053336 5.2952e+05 2024-05-08 18:50:10,141 INFO [main.py:798]
{rank 0/64} MD step = 327000 step time: 00:00:00.140733 Performance: 63.935 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 18:50:18,527 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 148.1 -2108.2 16232 -18340 -18340 -0.00060956 -0.00026668 0.00030478 5.2969e+05 2024-05-08 18:50:35,516 INFO [main.py:798]
{rank 0/64} MD step = 327100 step time: 00:00:00.153427 Performance: 63.937 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 18:50:41,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327100 65420 150.97 -1759.4 16547 -18306 -18306 -0.00045717 -0.00072385 0.00068575 5.2985e+05 2024-05-08 18:50:57,626 INFO [main.py:798]
{rank 0/64} MD step = 327200 step time: 00:00:00.166016 Performance: 63.940 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 18:51:03,322 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 149.92 -1866.7 16431 -18298 -18298 -0.00060956 -0.00068575 0.00043812 5.3e+05 2024-05-08 18:51:18,963 INFO [main.py:798]
{rank 0/64} MD step = 327300 step time: 00:00:00.143476 Performance: 63.944 ns/day 0.375 hours/ns 3.700 steps/s 2024-05-08 18:51:23,483 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 150.47 -2092 16491 -18583 -18583 -0.00077147 -0.00060956 0.00072385 5.3014e+05 2024-05-08 18:51:40,916 INFO [main.py:798]
{rank 0/64} MD step = 327400 step time: 00:00:00.149645 Performance: 63.948 ns/day 0.375 hours/ns 3.701 steps/s 2024-05-08 18:51:46,902 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 150.41 -1933.2 16485 -18418 -18418 -0.00096196 -0.00029525 0.00060956 5.3035e+05 2024-05-08 18:52:02,505 INFO [main.py:798]
{rank 0/64} MD step = 327500 step time: 00:00:00.155431 Performance: 63.952 ns/day 0.375 hours/ns 3.701 steps/s 2024-05-08 18:52:08,512 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 149.29 -1942.2 16363 -18305 -18305 -0.00085719 -0.00057622 0.00041907 5.3045e+05 2024-05-08 18:52:23,836 INFO [main.py:798]
{rank 0/64} MD step = 327600 step time: 00:00:00.153423 Performance: 63.956 ns/day 0.375 hours/ns 3.701 steps/s 2024-05-08 18:52:29,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327600 65520 150.24 -1899 16467 -18366 -18366 -0.00051431 -0.00044764 0.00083814 5.3069e+05 2024-05-08 18:52:45,458 INFO [main.py:798]
{rank 0/64} MD step = 327700 step time: 00:00:00.149891 Performance: 63.960 ns/day 0.375 hours/ns 3.701 steps/s 2024-05-08 18:52:50,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327700 65540 149.31 -1913.6 16365 -18279 -18279 -0.00038097 -0.00038097 0.00060956 5.3087e+05 2024-05-08 18:53:06,785 INFO [main.py:798]
{rank 0/64} MD step = 327800 step time: 00:00:00.157680 Performance: 63.964 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 18:53:12,860 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 150.94 -1799.3 16544 -18343 -18343 -0.00076195 -0.00053336 0.0006667 5.3101e+05 2024-05-08 18:53:28,526 INFO [main.py:798]
{rank 0/64} MD step = 327900 step time: 00:00:00.153228 Performance: 63.968 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 18:53:34,984 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 150.09 -1905.7 16450 -18356 -18356 -0.00037145 -0.00057146 0.00030478 5.3118e+05 2024-05-08 18:53:50,748 INFO [main.py:798]
{rank 0/64} MD step = 328000 step time: 00:00:00.146638 Performance: 63.971 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 18:54:02,154 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 150.52 -1759.2 16497 -18257 -18257 -0.00081909 -0.00049527 0.00038097 5.3139e+05 2024-05-08 18:54:17,328 INFO [main.py:798]
{rank 0/64} MD step = 328100 step time: 00:00:00.147364 Performance: 63.972 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 18:54:22,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328100 65620 150.13 -1748 16454 -18202 -18202 -0.00036193 -0.00015239 0.00064766 5.3153e+05 2024-05-08 18:54:39,418 INFO [main.py:798]
{rank 0/64} MD step = 328200 step time: 00:00:00.163321 Performance: 63.975 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 18:54:45,922 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 147.75 -2496.4 16193 -18690 -18690 -0.00091434 -0.00043812 0.00051431 5.3159e+05 2024-05-08 18:55:01,678 INFO [main.py:798]
{rank 0/64} MD step = 328300 step time: 00:00:00.155431 Performance: 63.979 ns/day 0.375 hours/ns 3.702 steps/s 2024-05-08 18:55:08,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328300 65660 148.68 -1914.7 16295 -18210 -18210 -0.00050479 -0.00049527 0.00037145 5.3182e+05 2024-05-08 18:55:26,751 INFO [main.py:798]
{rank 0/64} MD step = 328400 step time: 00:00:00.162563 Performance: 63.980 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 18:55:31,417 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 147.32 -2381 16147 -18528 -18528 -0.00080005 -0.00083814 0.00083814 5.3193e+05 2024-05-08 18:55:47,159 INFO [main.py:798]
{rank 0/64} MD step = 328500 step time: 00:00:00.159644 Performance: 63.985 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 18:55:57,423 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 149.38 -2032.6 16372 -18405 -18405 -0.00083814 -0.00045717 0.00038097 5.3211e+05 2024-05-08 18:56:11,633 INFO [main.py:798]
{rank 0/64} MD step = 328600 step time: 00:00:00.140170 Performance: 63.987 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 18:56:19,440 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 148.55 -1962.9 16282 -18244 -18244 -0.00028573 -0.00083814 0.00045717 5.3223e+05 2024-05-08 18:56:35,341 INFO [main.py:798]
{rank 0/64} MD step = 328700 step time: 00:00:00.141541 Performance: 63.989 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 18:56:41,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328700 65740 151.51 -1937 16606 -18543 -18543 -0.00099053 -0.00038097 0.00087624 5.3239e+05 2024-05-08 18:56:57,383 INFO [main.py:798]
{rank 0/64} MD step = 328800 step time: 00:00:00.159580 Performance: 63.992 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 18:57:05,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328800 65760 151.67 -1684.5 16623 -18308 -18308 -0.00041907 -0.00056194 0.00045717 5.3254e+05 2024-05-08 18:57:21,404 INFO [main.py:798]
{rank 0/64} MD step = 328900 step time: 00:00:00.145990 Performance: 63.995 ns/day 0.375 hours/ns 3.703 steps/s 2024-05-08 18:57:28,067 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 151.85 -1412.5 16643 -18056 -18056 -0.00049527 -0.00055241 0.00080005 5.3271e+05 2024-05-08 18:57:44,084 INFO [main.py:798]
{rank 0/64} MD step = 329000 step time: 00:00:00.165141 Performance: 63.998 ns/day 0.375 hours/ns 3.704 steps/s 2024-05-08 18:57:50,235 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 149.47 -1898.8 16382 -18281 -18281 -0.00068575 -0.0010191 0.00095243 5.3283e+05 2024-05-08 18:58:06,457 INFO [main.py:798]
{rank 0/64} MD step = 329100 step time: 00:00:00.159831 Performance: 64.001 ns/day 0.375 hours/ns 3.704 steps/s 2024-05-08 18:58:14,996 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 148.27 -2094.2 16251 -18345 -18345 -0.00083814 -0.00080005 0.00036193 5.3304e+05 2024-05-08 18:58:31,412 INFO [main.py:798]
{rank 0/64} MD step = 329200 step time: 00:00:00.153313 Performance: 64.003 ns/day 0.375 hours/ns 3.704 steps/s 2024-05-08 18:58:36,590 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 149.78 -2098 16416 -18514 -18514 -0.00076195 -0.00049527 0.00043812 5.3315e+05 2024-05-08 18:58:52,021 INFO [main.py:798]
{rank 0/64} MD step = 329300 step time: 00:00:00.153121 Performance: 64.007 ns/day 0.375 hours/ns 3.704 steps/s 2024-05-08 18:58:58,190 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 151.66 -1901.3 16622 -18524 -18524 -0.00076195 -0.00087624 0.00060956 5.3329e+05 2024-05-08 18:59:13,749 INFO [main.py:798]
{rank 0/64} MD step = 329400 step time: 00:00:00.173075 Performance: 64.011 ns/day 0.375 hours/ns 3.704 steps/s 2024-05-08 18:59:20,758 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 151.37 -1655.8 16590 -18246 -18246 -0.000781 -0.00062861 0.00080005 5.335e+05 2024-05-08 18:59:36,182 INFO [main.py:798]
{rank 0/64} MD step = 329500 step time: 00:00:00.189252 Performance: 64.014 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 18:59:42,440 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 148.95 -2234.9 16325 -18560 -18560 -0.00095243 -0.00040955 0.00038097 5.3363e+05 2024-05-08 18:59:58,565 INFO [main.py:798]
{rank 0/64} MD step = 329600 step time: 00:00:00.159044 Performance: 64.018 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 19:00:05,546 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 148.48 -2131.1 16273 -18405 -18405 -0.00060956 -0.00087624 0.00080957 5.3379e+05 2024-05-08 19:00:21,361 INFO [main.py:798]
{rank 0/64} MD step = 329700 step time: 00:00:00.151329 Performance: 64.021 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 19:00:28,913 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 151.62 -1801 16617 -18419 -18419 -0.00040002 -0.00080005 0.0012953 5.3389e+05 2024-05-08 19:00:44,500 INFO [main.py:798]
{rank 0/64} MD step = 329800 step time: 00:00:00.148524 Performance: 64.023 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 19:00:54,822 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 148.27 -2198 16251 -18449 -18449 -0.0003143 -0.0007048 0.00053336 5.3411e+05 2024-05-08 19:01:10,909 INFO [main.py:798]
{rank 0/64} MD step = 329900 step time: 00:00:00.143803 Performance: 64.024 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 19:01:18,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329900 65980 147.37 -2359.1 16152 -18512 -18512 -0.00085719 -0.00030478 0.00024763 5.3422e+05 2024-05-08 19:01:34,778 INFO [main.py:798]
{rank 0/64} MD step = 330000 step time: 00:00:00.138496 Performance: 64.026 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 19:01:41,042 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 149.03 -2051 16334 -18385 -18385 -0.00064766 -0.00053336 0.00064766 5.344e+05 2024-05-08 19:01:57,305 INFO [main.py:798]
{rank 0/64} MD step = 330100 step time: 00:00:00.153765 Performance: 64.029 ns/day 0.375 hours/ns 3.705 steps/s 2024-05-08 19:02:02,263 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 148.63 -2069.6 16290 -18360 -18360 -0.00097148 -0.00083814 0.00043812 5.3459e+05 2024-05-08 19:02:19,706 INFO [main.py:798]
{rank 0/64} MD step = 330200 step time: 00:00:00.155248 Performance: 64.032 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 19:02:25,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330200 66040 151.07 -1930.1 16557 -18487 -18487 -0.00030478 -0.00060956 0.00053336 5.3475e+05 2024-05-08 19:02:41,742 INFO [main.py:798]
{rank 0/64} MD step = 330300 step time: 00:00:00.155880 Performance: 64.036 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 19:02:47,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330300 66060 149.09 -1946.9 16341 -18288 -18288 -0.00027621 -0.000781 0.00083814 5.3488e+05 2024-05-08 19:03:04,210 INFO [main.py:798]
{rank 0/64} MD step = 330400 step time: 00:00:00.159869 Performance: 64.039 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 19:03:09,623 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 149.14 -1878 16346 -18224 -18224 -0.00068575 -0.00038097 0.00049527 5.3508e+05 2024-05-08 19:03:24,962 INFO [main.py:798]
{rank 0/64} MD step = 330500 step time: 00:00:00.165461 Performance: 64.044 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 19:03:33,316 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 149.52 -2117.9 16387 -18505 -18505 -0.00053336 -0.00087624 0.00051431 5.3525e+05 2024-05-08 19:03:49,432 INFO [main.py:798]
{rank 0/64} MD step = 330600 step time: 00:00:00.153691 Performance: 64.046 ns/day 0.375 hours/ns 3.706 steps/s 2024-05-08 19:03:55,070 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 149.25 -1987.2 16358 -18346 -18346 -0.00045717 -0.00081909 0.00038097 5.3543e+05 2024-05-08 19:04:10,974 INFO [main.py:798]
{rank 0/64} MD step = 330700 step time: 00:00:00.160149 Performance: 64.049 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 19:04:16,383 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 149.12 -2096.6 16344 -18441 -18441 -0.00080005 -0.00058099 0.00040955 5.3557e+05 2024-05-08 19:04:31,693 INFO [main.py:798]
{rank 0/64} MD step = 330800 step time: 00:00:00.169532 Performance: 64.054 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 19:04:36,749 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 150.4 -1893.7 16484 -18377 -18377 -0.00064766 -0.00013334 0.00083814 5.3573e+05 2024-05-08 19:04:52,685 INFO [main.py:798]
{rank 0/64} MD step = 330900 step time: 00:00:00.153847 Performance: 64.058 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 19:04:59,056 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 148.66 -1978.4 16293 -18271 -18271 -0.00099053 -0.00060956 0.00032383 5.3591e+05 2024-05-08 19:05:14,699 INFO [main.py:798]
{rank 0/64} MD step = 331000 step time: 00:00:00.165779 Performance: 64.062 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 19:05:20,533 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 151.76 -1814.5 16633 -18448 -18448 -0.00076195 -0.00038097 0.00025716 5.3607e+05 2024-05-08 19:05:36,510 INFO [main.py:798]
{rank 0/64} MD step = 331100 step time: 00:00:00.167125 Performance: 64.066 ns/day 0.375 hours/ns 3.707 steps/s 2024-05-08 19:05:41,533 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 147.9 -2284.6 16210 -18495 -18495 -0.00049527 -0.00051431 0.00068575 5.3619e+05 2024-05-08 19:05:57,537 INFO [main.py:798]
{rank 0/64} MD step = 331200 step time: 00:00:00.159619 Performance: 64.070 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 19:06:02,917 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 150.52 -1894.3 16497 -18391 -18391 -0.00013334 -0.00047622 0.00049527 5.3635e+05 2024-05-08 19:06:19,017 INFO [main.py:798]
{rank 0/64} MD step = 331300 step time: 00:00:00.164025 Performance: 64.074 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 19:06:24,018 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 151.69 -1806.3 16625 -18431 -18431 -0.00062861 -0.00081909 0.00083814 5.3649e+05 2024-05-08 19:06:40,289 INFO [main.py:798]
{rank 0/64} MD step = 331400 step time: 00:00:00.167135 Performance: 64.078 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 19:06:45,243 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 150.14 -1837.6 16456 -18293 -18293 -0.00051431 -0.00034288 0.00036193 5.3667e+05 2024-05-08 19:07:01,292 INFO [main.py:798]
{rank 0/64} MD step = 331500 step time: 00:00:00.153029 Performance: 64.082 ns/day 0.375 hours/ns 3.708 steps/s 2024-05-08 19:07:07,243 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 150.34 -2002.1 16477 -18479 -18479 -0.00047622 -0.00069528 0.00076195 5.3682e+05 2024-05-08 19:07:23,113 INFO [main.py:798]
{rank 0/64} MD step = 331600 step time: 00:00:00.153292 Performance: 64.086 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 19:07:29,099 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 153.09 -1374.2 16779 -18153 -18153 -0.00064766 -0.00064766 0.00060956 5.3703e+05 2024-05-08 19:07:44,787 INFO [main.py:798]
{rank 0/64} MD step = 331700 step time: 00:00:00.153500 Performance: 64.090 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 19:07:52,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331700 66340 150.66 -1877 16513 -18390 -18390 -0.00059051 -0.00034288 0.00053336 5.3716e+05 2024-05-08 19:08:08,413 INFO [main.py:798]
{rank 0/64} MD step = 331800 step time: 00:00:00.156714 Performance: 64.092 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 19:08:14,766 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 150.81 -1895.1 16529 -18424 -18424 -0.00040002 -0.00047622 0.00057146 5.3734e+05 2024-05-08 19:08:30,141 INFO [main.py:798]
{rank 0/64} MD step = 331900 step time: 00:00:00.158830 Performance: 64.096 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 19:08:37,846 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 150.15 -2019.6 16457 -18476 -18476 -0.00032383 -0.00053336 0.00045717 5.3748e+05 2024-05-08 19:08:55,427 INFO [main.py:798]
{rank 0/64} MD step = 332000 step time: 00:00:00.144434 Performance: 64.097 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 19:09:02,039 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 149.79 -1780.6 16417 -18198 -18198 -0.00038097 -0.000781 0.00091434 5.3766e+05 2024-05-08 19:09:18,221 INFO [main.py:798]
{rank 0/64} MD step = 332100 step time: 00:00:00.158109 Performance: 64.100 ns/day 0.374 hours/ns 3.709 steps/s 2024-05-08 19:09:24,015 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 149.32 -1911.7 16366 -18277 -18277 -0.00020954 -0.00041907 0.00049527 5.3782e+05 2024-05-08 19:09:39,847 INFO [main.py:798]
{rank 0/64} MD step = 332200 step time: 00:00:00.158306 Performance: 64.104 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 19:09:45,867 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 150.83 -2216.7 16531 -18748 -18748 -0.00091434 -0.00087624 0.00080005 5.3793e+05 2024-05-08 19:10:02,947 INFO [main.py:798]
{rank 0/64} MD step = 332300 step time: 00:00:00.161030 Performance: 64.106 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 19:10:08,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332300 66460 149.16 -2068.5 16349 -18417 -18417 -0.00081909 -0.00043812 0.00059051 5.3818e+05 2024-05-08 19:10:25,187 INFO [main.py:798]
{rank 0/64} MD step = 332400 step time: 00:00:00.165766 Performance: 64.110 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 19:10:31,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332400 66480 150.02 -2005.1 16443 -18448 -18448 -0.00030478 -0.00030478 0.00030478 5.3831e+05 2024-05-08 19:10:46,940 INFO [main.py:798]
{rank 0/64} MD step = 332500 step time: 00:00:00.161212 Performance: 64.114 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 19:10:56,877 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 149.41 -1959.7 16376 -18335 -18335 -0.00077147 -0.00076195 0.00053336 5.385e+05 2024-05-08 19:11:12,934 INFO [main.py:798]
{rank 0/64} MD step = 332600 step time: 00:00:00.162967 Performance: 64.114 ns/day 0.374 hours/ns 3.710 steps/s 2024-05-08 19:11:18,405 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 148.59 -2109 16286 -18395 -18395 -0.00053336 -0.00087624 0.00076195 5.3862e+05 2024-05-08 19:11:34,204 INFO [main.py:798]
{rank 0/64} MD step = 332700 step time: 00:00:00.157130 Performance: 64.118 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 19:11:41,087 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 150.66 -1961 16512 -18473 -18473 -0.00085719 -0.00060003 0.00086195 5.3877e+05 2024-05-08 19:11:56,983 INFO [main.py:798]
{rank 0/64} MD step = 332800 step time: 00:00:00.160397 Performance: 64.121 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 19:12:04,239 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 148.96 -2235.3 16326 -18561 -18561 -0.00068575 -0.00043812 0.00072385 5.3894e+05 2024-05-08 19:12:20,045 INFO [main.py:798]
{rank 0/64} MD step = 332900 step time: 00:00:00.160996 Performance: 64.124 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 19:12:24,100 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 148.05 -2299.8 16226 -18526 -18526 -0.00072385 -0.00026668 0.00091434 5.3909e+05 2024-05-08 19:12:41,569 INFO [main.py:798]
{rank 0/64} MD step = 333000 step time: 00:00:00.163825 Performance: 64.128 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 19:12:47,657 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 148.77 -2019.6 16305 -18325 -18325 -0.00091434 -0.00084767 0.00076195 5.3928e+05 2024-05-08 19:13:03,696 INFO [main.py:798]
{rank 0/64} MD step = 333100 step time: 00:00:00.157137 Performance: 64.131 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 19:13:11,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333100 66620 150.12 -2163.4 16454 -18617 -18617 -0.00053336 -0.00038097 0.00083814 5.3941e+05 2024-05-08 19:13:26,130 INFO [main.py:798]
{rank 0/64} MD step = 333200 step time: 00:00:00.171008 Performance: 64.135 ns/day 0.374 hours/ns 3.711 steps/s 2024-05-08 19:13:35,234 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 151.32 -1804.8 16585 -18390 -18390 -0.00087624 -0.00068575 0.00097148 5.3961e+05 2024-05-08 19:13:50,617 INFO [main.py:798]
{rank 0/64} MD step = 333300 step time: 00:00:00.155995 Performance: 64.136 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 19:13:59,191 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 150.67 -2040.7 16514 -18555 -18555 -0.00053336 -0.00060956 0.00069528 5.398e+05 2024-05-08 19:14:14,757 INFO [main.py:798]
{rank 0/64} MD step = 333400 step time: 00:00:00.163647 Performance: 64.138 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 19:14:19,775 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 148.66 -2220.6 16294 -18514 -18514 -0.00068575 -0.00081909 0.00076195 5.3995e+05 2024-05-08 19:14:35,399 INFO [main.py:798]
{rank 0/64} MD step = 333500 step time: 00:00:00.152387 Performance: 64.143 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 19:14:40,983 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 148.31 -2124.5 16255 -18379 -18379 -0.00082862 -0.00068575 0.00051431 5.4013e+05 2024-05-08 19:14:56,886 INFO [main.py:798]
{rank 0/64} MD step = 333600 step time: 00:00:00.141861 Performance: 64.147 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 19:15:01,445 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 149.56 -1876.4 16391 -18268 -18268 -0.00072385 -0.00053336 0.00047622 5.4031e+05 2024-05-08 19:15:18,657 INFO [main.py:798]
{rank 0/64} MD step = 333700 step time: 00:00:00.155339 Performance: 64.150 ns/day 0.374 hours/ns 3.712 steps/s 2024-05-08 19:15:24,283 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 148.24 -2323.3 16247 -18570 -18570 -0.00060956 -0.00076195 0.00049527 5.404e+05 2024-05-08 19:15:39,969 INFO [main.py:798]
{rank 0/64} MD step = 333800 step time: 00:00:00.148474 Performance: 64.154 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 19:15:46,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333800 66760 150.47 -1982.9 16492 -18475 -18475 -0.00053336 -0.00071909 0.00057146 5.4057e+05 2024-05-08 19:16:01,969 INFO [main.py:798]
{rank 0/64} MD step = 333900 step time: 00:00:00.147406 Performance: 64.158 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 19:16:10,262 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 150.49 -2082 16494 -18576 -18576 -0.00081909 -0.00065718 0.00068575 5.4075e+05 2024-05-08 19:16:25,985 INFO [main.py:798]
{rank 0/64} MD step = 334000 step time: 00:00:00.153703 Performance: 64.160 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 19:16:30,473 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 151.17 -1926.4 16568 -18495 -18495 -0.00067623 -0.00059051 0.00049527 5.4091e+05 2024-05-08 19:16:46,715 INFO [main.py:798]
{rank 0/64} MD step = 334100 step time: 00:00:00.155776 Performance: 64.164 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 19:16:52,360 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 152.03 -2086.6 16662 -18749 -18749 -0.00045717 -0.00049527 0.00057146 5.4108e+05 2024-05-08 19:17:08,541 INFO [main.py:798]
{rank 0/64} MD step = 334200 step time: 00:00:00.156481 Performance: 64.168 ns/day 0.374 hours/ns 3.713 steps/s 2024-05-08 19:17:14,658 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 151.68 -2129 16624 -18753 -18753 -0.00060956 -0.00083814 0.00080005 5.4123e+05 2024-05-08 19:17:30,702 INFO [main.py:798]
{rank 0/64} MD step = 334300 step time: 00:00:00.160185 Performance: 64.171 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 19:17:36,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 66860 152.9 -1585.1 16758 -18344 -18344 -0.0004286 -0.00083814 0.00087624 5.4141e+05 2024-05-08 19:17:52,265 INFO [main.py:798]
{rank 0/64} MD step = 334400 step time: 00:00:00.156703 Performance: 64.175 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 19:17:59,076 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 151.39 -1970.8 16593 -18564 -18564 -0.00056194 -0.00062861 0.00050479 5.4155e+05 2024-05-08 19:18:14,938 INFO [main.py:798]
{rank 0/64} MD step = 334500 step time: 00:00:00.157216 Performance: 64.178 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 19:18:21,744 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 150.58 -2099 16504 -18603 -18603 -0.00081909 -0.00083814 0.00060956 5.4178e+05 2024-05-08 19:18:37,674 INFO [main.py:798]
{rank 0/64} MD step = 334600 step time: 00:00:00.147593 Performance: 64.181 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 19:18:44,233 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 149.28 -2036.8 16361 -18398 -18398 -0.00055241 -0.00053336 0.00057146 5.4198e+05 2024-05-08 19:19:00,866 INFO [main.py:798]
{rank 0/64} MD step = 334700 step time: 00:00:00.138946 Performance: 64.184 ns/day 0.374 hours/ns 3.714 steps/s 2024-05-08 19:19:06,143 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 148.83 -2165.2 16312 -18477 -18477 -0.00087624 -0.00049527 0.0006667 5.4213e+05 2024-05-08 19:19:21,807 INFO [main.py:798]
{rank 0/64} MD step = 334800 step time: 00:00:00.157990 Performance: 64.188 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 19:19:29,964 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 148.17 -2308.8 16240 -18548 -18548 -0.00051431 -0.00045717 0.00072385 5.4229e+05 2024-05-08 19:19:45,139 INFO [main.py:798]
{rank 0/64} MD step = 334900 step time: 00:00:00.149414 Performance: 64.191 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 19:19:51,756 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 150.85 -1986.3 16533 -18520 -18520 -0.00087624 -0.00026668 0.00038097 5.4244e+05 2024-05-08 19:20:08,251 INFO [main.py:798]
{rank 0/64} MD step = 335000 step time: 00:00:00.150400 Performance: 64.194 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 19:20:14,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335000 67000 149.13 -2285.1 16344 -18629 -18629 -0.00093339 -0.00068575 0.00048574 5.4259e+05 2024-05-08 19:20:31,223 INFO [main.py:798]
{rank 0/64} MD step = 335100 step time: 00:00:00.142213 Performance: 64.196 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 19:20:37,859 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 150.1 -1991.4 16452 -18443 -18443 -0.00045717 -0.0007429 0.00051431 5.4273e+05 2024-05-08 19:20:55,170 INFO [main.py:798]
{rank 0/64} MD step = 335200 step time: 00:00:00.143142 Performance: 64.198 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 19:21:01,604 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 149.24 -2065.3 16357 -18423 -18423 -0.00068575 -0.00080005 0.00049527 5.4293e+05 2024-05-08 19:21:17,487 INFO [main.py:798]
{rank 0/64} MD step = 335300 step time: 00:00:00.145440 Performance: 64.202 ns/day 0.374 hours/ns 3.715 steps/s 2024-05-08 19:21:21,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335300 67060 150.7 -1843.3 16517 -18360 -18360 -0.00051431 -0.00087624 0.00011429 5.4311e+05 2024-05-08 19:21:39,722 INFO [main.py:798]
{rank 0/64} MD step = 335400 step time: 00:00:00.146434 Performance: 64.205 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 19:21:45,739 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 149.45 -1967.2 16380 -18347 -18347 -0.00047622 -0.00036193 0.00078576 5.4328e+05 2024-05-08 19:22:01,380 INFO [main.py:798]
{rank 0/64} MD step = 335500 step time: 00:00:00.160894 Performance: 64.209 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 19:22:06,919 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 152.97 -1591.5 16766 -18357 -18357 -0.0010667 -0.0006667 0.00064766 5.4347e+05 2024-05-08 19:22:22,340 INFO [main.py:798]
{rank 0/64} MD step = 335600 step time: 00:00:00.147221 Performance: 64.213 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 19:22:28,390 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 148.29 -2472.2 16253 -18725 -18725 -0.00069528 -0.00087624 0.00053336 5.4357e+05 2024-05-08 19:22:44,305 INFO [main.py:798]
{rank 0/64} MD step = 335700 step time: 00:00:00.160284 Performance: 64.217 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 19:22:53,808 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 150.92 -1834.5 16541 -18375 -18375 -0.0010096 -0.00080005 0.0006667 5.4374e+05 2024-05-08 19:23:08,970 INFO [main.py:798]
{rank 0/64} MD step = 335800 step time: 00:00:00.159390 Performance: 64.218 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 19:23:17,849 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 151.02 -1942.3 16552 -18494 -18494 -0.00059051 -0.00075242 0.00072385 5.4387e+05 2024-05-08 19:23:33,290 INFO [main.py:798]
{rank 0/64} MD step = 335900 step time: 00:00:00.153493 Performance: 64.220 ns/day 0.374 hours/ns 3.716 steps/s 2024-05-08 19:23:38,681 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 150.93 -1856.4 16542 -18398 -18398 -0.00037145 -0.00045717 0.00062861 5.4412e+05 2024-05-08 19:23:54,818 INFO [main.py:798]
{rank 0/64} MD step = 336000 step time: 00:00:00.158024 Performance: 64.224 ns/day 0.374 hours/ns 3.717 steps/s 2024-05-08 19:24:01,129 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 150.63 -1972.8 16509 -18482 -18482 -0.00038097 -0.00053336 0.00083814 5.4425e+05 2024-05-08 19:24:17,115 INFO [main.py:798]
{rank 0/64} MD step = 336100 step time: 00:00:00.166117 Performance: 64.227 ns/day 0.374 hours/ns 3.717 steps/s 2024-05-08 19:24:22,417 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 147.53 -2325.4 16169 -18495 -18495 -0.00083814 -0.00083814 0.00049527 5.4441e+05 2024-05-08 19:24:38,589 INFO [main.py:798]
{rank 0/64} MD step = 336200 step time: 00:00:00.162632 Performance: 64.231 ns/day 0.374 hours/ns 3.717 steps/s 2024-05-08 19:24:43,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336200 67240 150.69 -2222.7 16516 -18739 -18739 -0.00016191 -0.00060956 0.00091434 5.4453e+05 2024-05-08 19:24:58,950 INFO [main.py:798]
{rank 0/64} MD step = 336300 step time: 00:00:00.164235 Performance: 64.236 ns/day 0.374 hours/ns 3.717 steps/s 2024-05-08 19:25:04,365 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 151 -1847.6 16549 -18397 -18397 -0.00063813 -0.00051431 0.00047622 5.447e+05 2024-05-08 19:25:20,381 INFO [main.py:798]
{rank 0/64} MD step = 336400 step time: 00:00:00.166121 Performance: 64.239 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 19:25:28,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336400 67280 148.34 -2020.3 16258 -18278 -18278 -0.00072385 -0.00060956 0.00060956 5.4488e+05 2024-05-08 19:25:43,970 INFO [main.py:798]
{rank 0/64} MD step = 336500 step time: 00:00:00.163491 Performance: 64.242 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 19:25:50,631 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 150.19 -2014.1 16461 -18475 -18475 -0.00083814 -0.00050479 0.00045717 5.4505e+05 2024-05-08 19:26:05,980 INFO [main.py:798]
{rank 0/64} MD step = 336600 step time: 00:00:00.165358 Performance: 64.245 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 19:26:12,412 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 150.14 -1914.5 16456 -18370 -18370 -0.00091434 -0.00057146 0.00075719 5.4518e+05 2024-05-08 19:26:27,850 INFO [main.py:798]
{rank 0/64} MD step = 336700 step time: 00:00:00.161408 Performance: 64.249 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 19:26:33,075 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 148.64 -2033.3 16291 -18324 -18324 -0.00057146 -0.00049527 0.00040002 5.4534e+05 2024-05-08 19:26:48,516 INFO [main.py:798]
{rank 0/64} MD step = 336800 step time: 00:00:00.155614 Performance: 64.253 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 19:27:02,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336800 67360 150.88 -1823.1 16537 -18360 -18360 -0.00045717 -0.00057146 0.00055241 5.4547e+05 2024-05-08 19:27:17,265 INFO [main.py:798]
{rank 0/64} MD step = 336900 step time: 00:00:00.158683 Performance: 64.252 ns/day 0.374 hours/ns 3.718 steps/s 2024-05-08 19:27:22,982 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 149.32 -1907.6 16366 -18274 -18274 -0.00068575 -0.00076195 0.00064766 5.456e+05 2024-05-08 19:27:38,584 INFO [main.py:798]
{rank 0/64} MD step = 337000 step time: 00:00:00.157500 Performance: 64.256 ns/day 0.374 hours/ns 3.719 steps/s 2024-05-08 19:27:46,122 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 151.61 -1667.9 16616 -18284 -18284 -0.00068575 -0.00030478 0.00057146 5.4577e+05 2024-05-08 19:28:01,447 INFO [main.py:798]
{rank 0/64} MD step = 337100 step time: 00:00:00.158984 Performance: 64.259 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 19:28:15,888 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 151.15 -1720.4 16567 -18287 -18287 -0.0007048 -0.00045717 0.000781 5.4594e+05 2024-05-08 19:28:31,832 INFO [main.py:798]
{rank 0/64} MD step = 337200 step time: 00:00:00.154969 Performance: 64.256 ns/day 0.374 hours/ns 3.719 steps/s 2024-05-08 19:28:38,155 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 148.87 -2356.3 16317 -18673 -18673 -0.00032383 -0.00059051 0.00022858 5.4607e+05 2024-05-08 19:28:55,339 INFO [main.py:798]
{rank 0/64} MD step = 337300 step time: 00:00:00.175665 Performance: 64.259 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 19:29:00,762 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 151.92 -1647 16651 -18298 -18298 -0.00045717 -0.00068575 0.00022858 5.4629e+05 2024-05-08 19:29:16,063 INFO [main.py:798]
{rank 0/64} MD step = 337400 step time: 00:00:00.156937 Performance: 64.263 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 19:29:22,849 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 152.18 -1725 16679 -18404 -18404 -0.00048574 -0.00072385 0.00062861 5.4643e+05 2024-05-08 19:29:41,257 INFO [main.py:798]
{rank 0/64} MD step = 337500 step time: 00:00:00.149554 Performance: 64.264 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 19:29:47,213 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 151.13 -1751.3 16564 -18316 -18316 -0.0006667 -0.00060956 7.6195e-05 5.4658e+05 2024-05-08 19:30:02,645 INFO [main.py:798]
{rank 0/64} MD step = 337600 step time: 00:00:00.155082 Performance: 64.268 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 19:30:08,899 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 152.15 -1633.2 16676 -18309 -18309 -0.00059051 -0.00030478 0.000781 5.4676e+05 2024-05-08 19:30:28,849 INFO [main.py:798]
{rank 0/64} MD step = 337700 step time: 00:00:00.168742 Performance: 64.269 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 19:30:34,033 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 149.85 -1811.7 16424 -18235 -18235 -0.00080005 -0.00030478 0.00055241 5.4691e+05 2024-05-08 19:30:49,608 INFO [main.py:798]
{rank 0/64} MD step = 337800 step time: 00:00:00.174630 Performance: 64.273 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 19:31:01,478 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 150.19 -1740 16461 -18201 -18201 -0.00068575 -0.00076195 0.00065718 5.4714e+05 2024-05-08 19:31:16,768 INFO [main.py:798]
{rank 0/64} MD step = 337900 step time: 00:00:00.153295 Performance: 64.273 ns/day 0.373 hours/ns 3.719 steps/s 2024-05-08 19:31:23,237 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 148.34 -2097.9 16258 -18356 -18356 -0.00083814 -0.00068575 0.00041907 5.4727e+05 2024-05-08 19:31:39,111 INFO [main.py:798]
{rank 0/64} MD step = 338000 step time: 00:00:00.158137 Performance: 64.276 ns/day 0.373 hours/ns 3.720 steps/s 2024-05-08 19:31:45,179 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 151.25 -1712.6 16577 -18290 -18290 -0.00045717 -0.00033335 0.00028573 5.4745e+05 2024-05-08 19:32:00,492 INFO [main.py:798]
{rank 0/64} MD step = 338100 step time: 00:00:00.153331 Performance: 64.280 ns/day 0.373 hours/ns 3.720 steps/s 2024-05-08 19:32:05,597 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 149.33 -1973.7 16367 -18341 -18341 -0.00091434 -0.00036193 0.00041907 5.4766e+05 2024-05-08 19:32:21,711 INFO [main.py:798]
{rank 0/64} MD step = 338200 step time: 00:00:00.138685 Performance: 64.284 ns/day 0.373 hours/ns 3.720 steps/s 2024-05-08 19:32:27,050 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 148.39 -2144.2 16263 -18407 -18407 -0.00022858 -0.00030954 0.00057146 5.4779e+05 2024-05-08 19:32:42,483 INFO [main.py:798]
{rank 0/64} MD step = 338300 step time: 00:00:00.164498 Performance: 64.288 ns/day 0.373 hours/ns 3.720 steps/s 2024-05-08 19:32:48,253 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 151.13 -1897.6 16564 -18462 -18462 -0.00095243 -0.00057146 0.00071433 5.4798e+05 2024-05-08 19:33:04,082 INFO [main.py:798]
{rank 0/64} MD step = 338400 step time: 00:00:00.153944 Performance: 64.292 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 19:33:09,509 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 149.48 -2056.8 16383 -18440 -18440 -0.00064766 -0.00068575 0.00030478 5.4815e+05 2024-05-08 19:33:25,227 INFO [main.py:798]
{rank 0/64} MD step = 338500 step time: 00:00:00.152795 Performance: 64.296 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 19:33:30,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338500 67700 150.37 -2076.6 16480 -18557 -18557 -0.00043812 -0.00089529 0.00034288 5.4827e+05 2024-05-08 19:33:46,726 INFO [main.py:798]
{rank 0/64} MD step = 338600 step time: 00:00:00.153353 Performance: 64.300 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 19:33:56,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338600 67720 149.7 -2108.7 16407 -18516 -18516 -0.00045717 -0.00044764 0.00071433 5.4845e+05 2024-05-08 19:34:13,036 INFO [main.py:798]
{rank 0/64} MD step = 338700 step time: 00:00:00.157756 Performance: 64.300 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 19:34:19,830 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 150.82 -1920.3 16531 -18451 -18451 -0.00026668 -0.00095243 0.00068575 5.4861e+05 2024-05-08 19:34:35,508 INFO [main.py:798]
{rank 0/64} MD step = 338800 step time: 00:00:00.175897 Performance: 64.303 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 19:34:40,093 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 148.92 -2130.9 16322 -18453 -18453 -0.00081909 -0.00072385 0.00030478 5.4874e+05 2024-05-08 19:34:57,385 INFO [main.py:798]
{rank 0/64} MD step = 338900 step time: 00:00:00.143150 Performance: 64.307 ns/day 0.373 hours/ns 3.721 steps/s 2024-05-08 19:35:03,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338900 67780 148.52 -2059.3 16278 -18338 -18338 -0.00057146 -0.00062861 0.00076195 5.4893e+05 2024-05-08 19:35:18,748 INFO [main.py:798]
{rank 0/64} MD step = 339000 step time: 00:00:00.147617 Performance: 64.311 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 19:35:26,998 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 149.76 -2029.7 16414 -18444 -18444 -0.00038097 -0.00048574 0.00051431 5.4909e+05 2024-05-08 19:35:42,731 INFO [main.py:798]
{rank 0/64} MD step = 339100 step time: 00:00:00.138440 Performance: 64.313 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 19:35:51,125 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 148.8 -1909.7 16309 -18219 -18219 -0.00083814 -0.00060956 0.00095243 5.4929e+05 2024-05-08 19:36:06,687 INFO [main.py:798]
{rank 0/64} MD step = 339200 step time: 00:00:00.138920 Performance: 64.315 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 19:36:16,573 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 149.54 -1962.9 16390 -18353 -18353 -0.00055241 -0.00045717 0.00049527 5.4942e+05 2024-05-08 19:36:31,759 INFO [main.py:798]
{rank 0/64} MD step = 339300 step time: 00:00:00.133035 Performance: 64.316 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 19:36:37,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339300 67860 150.24 -1919.2 16466 -18385 -18385 -0.00049527 -0.00038097 0.00072385 5.4962e+05 2024-05-08 19:36:53,008 INFO [main.py:798]
{rank 0/64} MD step = 339400 step time: 00:00:00.155695 Performance: 64.320 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 19:37:05,696 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 149.44 -2083 16378 -18461 -18461 -0.0004286 -0.00064766 0.00059051 5.4972e+05 2024-05-08 19:37:21,336 INFO [main.py:798]
{rank 0/64} MD step = 339500 step time: 00:00:00.157237 Performance: 64.319 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 19:37:27,213 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 147.93 -2148 16213 -18361 -18361 -0.00076195 -0.00095243 0.00068575 5.4993e+05 2024-05-08 19:37:42,661 INFO [main.py:798]
{rank 0/64} MD step = 339600 step time: 00:00:00.134441 Performance: 64.323 ns/day 0.373 hours/ns 3.722 steps/s 2024-05-08 19:37:49,547 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 151.87 -1641.8 16645 -18287 -18287 -0.00062861 -0.00049527 0.00053336 5.5006e+05 2024-05-08 19:38:04,584 INFO [main.py:798]
{rank 0/64} MD step = 339700 step time: 00:00:00.148640 Performance: 64.326 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 19:38:13,119 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 150.21 -1904.1 16463 -18367 -18367 -0.00080957 -0.00083814 0.00053336 5.5024e+05 2024-05-08 19:38:27,983 INFO [main.py:798]
{rank 0/64} MD step = 339800 step time: 00:00:00.160095 Performance: 64.329 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 19:38:38,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339800 67960 149.9 -2032.1 16429 -18461 -18461 -0.00081909 -0.00049527 0.00038097 5.5039e+05 2024-05-08 19:38:53,885 INFO [main.py:798]
{rank 0/64} MD step = 339900 step time: 00:00:00.155597 Performance: 64.329 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 19:39:06,015 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 151.51 -1739.1 16605 -18344 -18344 -0.00068575 -0.00041907 0.0010096 5.5063e+05 2024-05-08 19:39:21,842 INFO [main.py:798]
{rank 0/64} MD step = 340000 step time: 00:00:00.165415 Performance: 64.329 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 19:39:30,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340000 68000 150.5 -1677.3 16495 -18172 -18172 -0.00049527 -0.0006667 0.00041907 5.5072e+05 2024-05-08 19:39:44,798 INFO [main.py:798]
{rank 0/64} MD step = 340100 step time: 00:00:00.152245 Performance: 64.331 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 19:39:51,025 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 152.66 -1515.5 16732 -18248 -18248 -0.00060956 -0.0010096 0.00059051 5.5086e+05 2024-05-08 19:40:06,615 INFO [main.py:798]
{rank 0/64} MD step = 340200 step time: 00:00:00.159991 Performance: 64.335 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 19:40:13,138 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 149.81 -1997.5 16419 -18416 -18416 -0.0006667 -0.0003905 0.00047622 5.5099e+05 2024-05-08 19:40:31,527 INFO [main.py:798]
{rank 0/64} MD step = 340300 step time: 00:00:00.170379 Performance: 64.336 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 19:40:37,481 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 150.52 -1838.5 16497 -18336 -18336 -0.0007048 -0.00068575 0.00064766 5.5113e+05 2024-05-08 19:40:52,815 INFO [main.py:798]
{rank 0/64} MD step = 340400 step time: 00:00:00.147669 Performance: 64.340 ns/day 0.373 hours/ns 3.723 steps/s 2024-05-08 19:40:58,765 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 149.25 -1921 16358 -18279 -18279 -0.00055241 -0.00057146 0.00098101 5.5127e+05 2024-05-08 19:41:14,238 INFO [main.py:798]
{rank 0/64} MD step = 340500 step time: 00:00:00.148423 Performance: 64.344 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 19:41:20,209 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 151.15 -1612.2 16566 -18178 -18178 -0.00053336 -0.00057146 0.00082862 5.5145e+05 2024-05-08 19:41:35,719 INFO [main.py:798]
{rank 0/64} MD step = 340600 step time: 00:00:00.153016 Performance: 64.348 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 19:41:41,624 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 148.18 -2138.6 16240 -18379 -18379 -0.00072385 -0.00072385 0.00085719 5.5162e+05 2024-05-08 19:41:57,533 INFO [main.py:798]
{rank 0/64} MD step = 340700 step time: 00:00:00.148166 Performance: 64.351 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 19:42:03,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340700 68140 151.89 -1769.7 16648 -18417 -18417 -0.00041907 -0.00045717 0.0007048 5.5179e+05 2024-05-08 19:42:21,004 INFO [main.py:798]
{rank 0/64} MD step = 340800 step time: 00:00:00.148775 Performance: 64.354 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 19:42:26,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340800 68160 151.79 -1766.8 16636 -18403 -18403 -0.00030478 -0.00049527 0.0007429 5.5195e+05 2024-05-08 19:42:42,874 INFO [main.py:798]
{rank 0/64} MD step = 340900 step time: 00:00:00.156936 Performance: 64.357 ns/day 0.373 hours/ns 3.724 steps/s 2024-05-08 19:42:50,323 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 149.97 -2107.6 16437 -18545 -18545 -0.00030478 -0.00038097 0.00055241 5.5212e+05 2024-05-08 19:43:05,856 INFO [main.py:798]
{rank 0/64} MD step = 341000 step time: 00:00:00.158107 Performance: 64.360 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 19:43:15,875 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 149.54 -1940.5 16390 -18330 -18330 -0.00045717 -0.00026668 0.00057146 5.5227e+05 2024-05-08 19:43:31,452 INFO [main.py:798]
{rank 0/64} MD step = 341100 step time: 00:00:00.157704 Performance: 64.361 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 19:43:37,659 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 151.71 -2123.9 16628 -18752 -18752 -0.00060956 -0.00081909 0.00047622 5.5242e+05 2024-05-08 19:43:53,121 INFO [main.py:798]
{rank 0/64} MD step = 341200 step time: 00:00:00.154825 Performance: 64.365 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 19:44:00,754 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 149.12 -2172.8 16344 -18517 -18517 -0.00045717 -0.00055241 0.00081909 5.526e+05 2024-05-08 19:44:16,393 INFO [main.py:798]
{rank 0/64} MD step = 341300 step time: 00:00:00.160609 Performance: 64.367 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 19:44:24,190 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 149.26 -1974.5 16359 -18334 -18334 -0.00080957 -0.00045717 0.00019049 5.5273e+05 2024-05-08 19:44:39,862 INFO [main.py:798]
{rank 0/64} MD step = 341400 step time: 00:00:00.159034 Performance: 64.369 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 19:44:46,251 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 149.73 -1901.2 16411 -18312 -18312 -0.00083814 -0.00064766 0.0007048 5.5293e+05 2024-05-08 19:45:01,672 INFO [main.py:798]
{rank 0/64} MD step = 341500 step time: 00:00:00.159104 Performance: 64.373 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 19:45:08,418 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 149.57 -2091.5 16394 -18485 -18485 -0.00085719 -0.00095243 0.00059051 5.5305e+05 2024-05-08 19:45:23,335 INFO [main.py:798]
{rank 0/64} MD step = 341600 step time: 00:00:00.158345 Performance: 64.377 ns/day 0.373 hours/ns 3.725 steps/s 2024-05-08 19:45:28,492 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 152.99 -1692.2 16768 -18460 -18460 -0.00060956 -0.00053336 0.00036193 5.5326e+05 2024-05-08 19:45:46,067 INFO [main.py:798]
{rank 0/64} MD step = 341700 step time: 00:00:00.162628 Performance: 64.380 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 19:45:52,086 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 149.51 -2169.8 16386 -18556 -18556 -0.00068575 -0.00045717 0.00049527 5.5341e+05 2024-05-08 19:46:07,480 INFO [main.py:798]
{rank 0/64} MD step = 341800 step time: 00:00:00.155338 Performance: 64.383 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 19:46:13,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341800 68360 152.06 -1772.6 16666 -18439 -18439 -0.00045717 -0.00038097 0.00045717 5.5359e+05 2024-05-08 19:46:29,610 INFO [main.py:798]
{rank 0/64} MD step = 341900 step time: 00:00:00.156651 Performance: 64.387 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 19:46:35,803 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 151.31 -1860.1 16584 -18444 -18444 -0.00068575 -0.00064766 0.00064766 5.5374e+05 2024-05-08 19:46:51,538 INFO [main.py:798]
{rank 0/64} MD step = 342000 step time: 00:00:00.162392 Performance: 64.390 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 19:46:57,931 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 150.24 -1774.9 16466 -18241 -18241 -0.0007429 -0.00076195 0.00051431 5.5391e+05 2024-05-08 19:47:13,806 INFO [main.py:798]
{rank 0/64} MD step = 342100 step time: 00:00:00.160918 Performance: 64.393 ns/day 0.373 hours/ns 3.726 steps/s 2024-05-08 19:47:18,685 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 150.17 -1841.7 16459 -18301 -18301 -0.00085719 -0.0011239 0.00030478 5.5407e+05 2024-05-08 19:47:34,282 INFO [main.py:798]
{rank 0/64} MD step = 342200 step time: 00:00:00.164347 Performance: 64.398 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 19:47:39,084 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 151.52 -1950.9 16607 -18558 -18558 -0.00045717 -0.00072385 0.00053336 5.5424e+05 2024-05-08 19:47:54,543 INFO [main.py:798]
{rank 0/64} MD step = 342300 step time: 00:00:00.157121 Performance: 64.402 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 19:48:00,091 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 151.78 -1835.3 16635 -18470 -18470 -0.00053336 -0.00049527 0.00028573 5.5442e+05 2024-05-08 19:48:15,858 INFO [main.py:798]
{rank 0/64} MD step = 342400 step time: 00:00:00.153664 Performance: 64.406 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 19:48:21,146 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 150.82 -1934.5 16530 -18465 -18465 -0.0004286 -0.0010667 0.00085719 5.5458e+05 2024-05-08 19:48:36,981 INFO [main.py:798]
{rank 0/64} MD step = 342500 step time: 00:00:00.161312 Performance: 64.410 ns/day 0.373 hours/ns 3.727 steps/s 2024-05-08 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 342500 68500 150.07 -1978.8 16448 -18426 -18426 -0.00049527 -0.00045241 0.00053336 5.5474e+05 2024-05-08 19:48:57,655 INFO [main.py:798]
{rank 0/64} MD step = 342600 step time: 00:00:00.150004 Performance: 64.415 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:49:03,658 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 150.57 -1928.7 16503 -18431 -18431 -0.00068575 -0.00087624 0.00026668 5.549e+05 2024-05-08 19:49:20,220 INFO [main.py:798]
{rank 0/64} MD step = 342700 step time: 00:00:00.146782 Performance: 64.418 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:49:27,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342700 68540 149.75 -2046.9 16413 -18460 -18460 -0.00083814 -0.00051431 0.00047622 5.5506e+05 2024-05-08 19:49:42,879 INFO [main.py:798]
{rank 0/64} MD step = 342800 step time: 00:00:00.157249 Performance: 64.420 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:49:49,598 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 148.6 -1931.1 16286 -18217 -18217 -0.00047622 -0.00053336 0.00041907 5.552e+05 2024-05-08 19:50:04,907 INFO [main.py:798]
{rank 0/64} MD step = 342900 step time: 00:00:00.154721 Performance: 64.424 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:50:12,166 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 148.48 -1796.8 16274 -18070 -18070 -0.00072385 -0.00054765 0.00034288 5.5537e+05 2024-05-08 19:50:27,892 INFO [main.py:798]
{rank 0/64} MD step = 343000 step time: 00:00:00.160907 Performance: 64.426 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:50:44,223 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 148.96 -2126.6 16326 -18453 -18453 -0.00059051 -0.00095243 0.00026668 5.5548e+05 2024-05-08 19:51:00,005 INFO [main.py:798]
{rank 0/64} MD step = 343100 step time: 00:00:00.155993 Performance: 64.423 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:51:07,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343100 68620 150.05 -2042.6 16446 -18488 -18488 -0.00044764 -0.00087624 0.00033335 5.5563e+05 2024-05-08 19:51:23,886 INFO [main.py:798]
{rank 0/64} MD step = 343200 step time: 00:00:00.150806 Performance: 64.425 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:51:31,801 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 148.51 -2325.3 16277 -18602 -18602 -0.00034288 -0.00057146 0.00072385 5.5578e+05 2024-05-08 19:51:47,001 INFO [main.py:798]
{rank 0/64} MD step = 343300 step time: 00:00:00.146579 Performance: 64.427 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:51:59,514 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 149.27 -2092.7 16360 -18453 -18453 -0.00049527 -0.00060956 0.00060956 5.5594e+05 2024-05-08 19:52:15,306 INFO [main.py:798]
{rank 0/64} MD step = 343400 step time: 00:00:00.153377 Performance: 64.426 ns/day 0.373 hours/ns 3.728 steps/s 2024-05-08 19:52:21,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343400 68680 149.3 -1837.4 16363 -18200 -18200 -0.00068575 -0.00085719 0.00022858 5.5612e+05 2024-05-08 19:52:37,525 INFO [main.py:798]
{rank 0/64} MD step = 343500 step time: 00:00:00.156912 Performance: 64.430 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:52:43,564 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 147.98 -2262.5 16219 -18481 -18481 -0.00053336 -0.0007048 0.00081909 5.5624e+05 2024-05-08 19:52:59,174 INFO [main.py:798]
{rank 0/64} MD step = 343600 step time: 00:00:00.154694 Performance: 64.433 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:53:10,278 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 152.87 -1779.7 16755 -18535 -18535 -0.00045717 -0.0006667 0.00076195 5.5639e+05 2024-05-08 19:53:25,165 INFO [main.py:798]
{rank 0/64} MD step = 343700 step time: 00:00:00.148462 Performance: 64.434 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:53:34,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343700 68740 149.35 -2066.4 16369 -18435 -18435 -0.00049527 -0.00038097 0.00068575 5.5656e+05 2024-05-08 19:53:50,577 INFO [main.py:798]
{rank 0/64} MD step = 343800 step time: 00:00:00.158378 Performance: 64.435 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:53:58,591 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 150.29 -1805.2 16472 -18278 -18278 -0.00072385 -0.00091434 0.00057146 5.5674e+05 2024-05-08 19:54:14,709 INFO [main.py:798]
{rank 0/64} MD step = 343900 step time: 00:00:00.154861 Performance: 64.437 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:54:21,249 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 150.1 -1957.2 16451 -18409 -18409 -0.00055241 -0.00057146 0.00089529 5.5689e+05 2024-05-08 19:54:36,834 INFO [main.py:798]
{rank 0/64} MD step = 344000 step time: 00:00:00.156875 Performance: 64.440 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:54:43,731 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 150.83 -1858.5 16532 -18390 -18390 -0.00030478 -0.0007048 0.0007048 5.5706e+05 2024-05-08 19:54:59,442 INFO [main.py:798]
{rank 0/64} MD step = 344100 step time: 00:00:00.149509 Performance: 64.443 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:55:10,299 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 148.7 -2158.9 16298 -18457 -18457 -0.00038097 -0.00060956 0.00049527 5.5719e+05 2024-05-08 19:55:26,147 INFO [main.py:798]
{rank 0/64} MD step = 344200 step time: 00:00:00.172516 Performance: 64.443 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:55:35,289 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 150.94 -1806.9 16543 -18350 -18350 -0.00041907 -0.00051431 0.00076195 5.5739e+05 2024-05-08 19:55:53,956 INFO [main.py:798]
{rank 0/64} MD step = 344300 step time: 00:00:00.158085 Performance: 64.442 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:56:03,059 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 148.59 -2196.6 16286 -18482 -18482 -0.0007429 -0.00060956 0.00087624 5.5752e+05 2024-05-08 19:56:18,672 INFO [main.py:798]
{rank 0/64} MD step = 344400 step time: 00:00:00.147843 Performance: 64.444 ns/day 0.372 hours/ns 3.729 steps/s 2024-05-08 19:56:24,108 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 151.04 -1993.1 16555 -18548 -18548 -0.00053336 -0.0007429 0.00038097 5.5769e+05 2024-05-08 19:56:39,955 INFO [main.py:798]
{rank 0/64} MD step = 344500 step time: 00:00:00.154105 Performance: 64.448 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 19:56:46,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344500 68900 150.03 -2222.2 16444 -18666 -18666 -0.00060956 -0.00057146 0.00049527 5.5785e+05 2024-05-08 19:57:01,972 INFO [main.py:798]
{rank 0/64} MD step = 344600 step time: 00:00:00.157746 Performance: 64.451 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 19:57:08,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344600 68920 148.35 -2202.1 16259 -18461 -18461 -0.00083814 -0.00034288 0.00073337 5.5801e+05 2024-05-08 19:57:24,350 INFO [main.py:798]
{rank 0/64} MD step = 344700 step time: 00:00:00.159703 Performance: 64.454 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 19:57:30,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344700 68940 150.29 -1784.1 16472 -18256 -18256 -0.0004286 -0.00076195 0.00082862 5.5818e+05 2024-05-08 19:57:45,018 INFO [main.py:798]
{rank 0/64} MD step = 344800 step time: 00:00:00.162338 Performance: 64.458 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 19:57:52,398 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 148.67 -2175.9 16295 -18471 -18471 -0.00080005 -0.00091434 0.00076195 5.5834e+05 2024-05-08 19:58:07,290 INFO [main.py:798]
{rank 0/64} MD step = 344900 step time: 00:00:00.140004 Performance: 64.461 ns/day 0.372 hours/ns 3.730 steps/s 2024-05-08 19:58:14,484 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 151.1 -1902.7 16561 -18464 -18464 -0.00053336 -0.00083814 0.00034288 5.5854e+05 2024-05-08 19:58:30,601 INFO [main.py:798]
{rank 0/64} MD step = 345000 step time: 00:00:00.145105 Performance: 64.464 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 19:58:36,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345000 69000 151.01 -1878.5 16550 -18429 -18429 -0.00087624 -0.00080957 0.00040002 5.5869e+05 2024-05-08 19:58:52,361 INFO [main.py:798]
{rank 0/64} MD step = 345100 step time: 00:00:00.153119 Performance: 64.467 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 19:58:59,080 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 148.36 -2222 16261 -18483 -18483 -0.00041907 -0.00057146 0.00090481 5.5888e+05 2024-05-08 19:59:15,769 INFO [main.py:798]
{rank 0/64} MD step = 345200 step time: 00:00:00.157188 Performance: 64.470 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 19:59:23,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345200 69040 150.53 -1857.6 16498 -18356 -18356 -0.00045717 -0.00081909 0.00046669 5.5912e+05 2024-05-08 19:59:37,876 INFO [main.py:798]
{rank 0/64} MD step = 345300 step time: 00:00:00.141214 Performance: 64.473 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 19:59:49,697 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 150.6 -1996.4 16506 -18502 -18502 -0.00060956 -0.00053336 0.00081909 5.5923e+05 2024-05-08 20:00:04,512 INFO [main.py:798]
{rank 0/64} MD step = 345400 step time: 00:00:00.154929 Performance: 64.473 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 20:00:08,733 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 150.54 -2239.6 16500 -18739 -18739 -0.00045717 -0.0006667 0.00077147 5.5941e+05 2024-05-08 20:00:26,477 INFO [main.py:798]
{rank 0/64} MD step = 345500 step time: 00:00:00.144276 Performance: 64.477 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 20:00:33,630 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 150.49 -1962.9 16494 -18456 -18456 -0.00087624 -0.00068575 0.00028573 5.5956e+05 2024-05-08 20:00:49,539 INFO [main.py:798]
{rank 0/64} MD step = 345600 step time: 00:00:00.144408 Performance: 64.479 ns/day 0.372 hours/ns 3.731 steps/s 2024-05-08 20:00:56,734 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 150.75 -1891.7 16522 -18414 -18414 -0.00030478 -0.00081909 0.00090481 5.5972e+05 2024-05-08 20:01:13,775 INFO [main.py:798]
{rank 0/64} MD step = 345700 step time: 00:00:00.152266 Performance: 64.481 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 20:01:19,649 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 151.49 -1859.8 16604 -18464 -18464 -0.00026668 -0.00091434 0.00072385 5.5992e+05 2024-05-08 20:01:35,556 INFO [main.py:798]
{rank 0/64} MD step = 345800 step time: 00:00:00.149645 Performance: 64.484 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 20:01:41,473 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 148.55 -2303.2 16282 -18585 -18585 -0.00051431 -0.00060956 0.00064766 5.6009e+05 2024-05-08 20:01:57,237 INFO [main.py:798]
{rank 0/64} MD step = 345900 step time: 00:00:00.144552 Performance: 64.488 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 20:02:03,487 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 149.54 -2361.4 16389 -18751 -18751 -0.0011239 -0.00054289 0.00053336 5.6025e+05 2024-05-08 20:02:19,048 INFO [main.py:798]
{rank 0/64} MD step = 346000 step time: 00:00:00.146763 Performance: 64.491 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 20:02:26,079 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 150.94 -1753.8 16543 -18297 -18297 -0.00083814 -0.00057146 0.00072385 5.6047e+05 2024-05-08 20:02:41,939 INFO [main.py:798]
{rank 0/64} MD step = 346100 step time: 00:00:00.152230 Performance: 64.494 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 20:02:51,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346100 69220 150.13 -1927.1 16454 -18381 -18381 -0.00083814 -0.00060956 0.00026668 5.6065e+05 2024-05-08 20:03:06,547 INFO [main.py:798]
{rank 0/64} MD step = 346200 step time: 00:00:00.165821 Performance: 64.496 ns/day 0.372 hours/ns 3.732 steps/s 2024-05-08 20:03:12,485 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 150.43 -1868.1 16487 -18356 -18356 -0.00045717 -0.00032383 0.00063813 5.6081e+05 2024-05-08 20:03:28,074 INFO [main.py:798]
{rank 0/64} MD step = 346300 step time: 00:00:00.163814 Performance: 64.499 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 20:03:32,640 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 148.53 -1985.8 16279 -18264 -18264 -0.00057146 -0.00051431 0.00068575 5.6094e+05 2024-05-08 20:03:49,145 INFO [main.py:798]
{rank 0/64} MD step = 346400 step time: 00:00:00.166576 Performance: 64.503 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 20:03:55,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346400 69280 148.96 -2117.6 16326 -18444 -18444 -0.00081909 -0.00030478 0.000781 5.6108e+05 2024-05-08 20:04:11,523 INFO [main.py:798]
{rank 0/64} MD step = 346500 step time: 00:00:00.159956 Performance: 64.506 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 20:04:15,663 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 148.47 -2129.3 16273 -18402 -18402 -0.00032383 -0.00068575 0.0007429 5.6125e+05 2024-05-08 20:04:33,206 INFO [main.py:798]
{rank 0/64} MD step = 346600 step time: 00:00:00.163007 Performance: 64.510 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 20:04:39,399 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 149.07 -2168.1 16339 -18507 -18507 -0.00064766 -0.00083814 0.00072385 5.6138e+05 2024-05-08 20:04:54,610 INFO [main.py:798]
{rank 0/64} MD step = 346700 step time: 00:00:00.151954 Performance: 64.514 ns/day 0.372 hours/ns 3.733 steps/s 2024-05-08 20:04:59,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346700 69340 152.03 -1762.7 16663 -18426 -18426 -0.00055241 -0.00057146 0.00038097 5.6156e+05 2024-05-08 20:05:14,976 INFO [main.py:798]
{rank 0/64} MD step = 346800 step time: 00:00:00.156864 Performance: 64.518 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 20:05:21,614 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 150.57 -1961.9 16503 -18464 -18464 -0.00041907 -0.00067623 0.00047622 5.6169e+05 2024-05-08 20:05:36,907 INFO [main.py:798]
{rank 0/64} MD step = 346900 step time: 00:00:00.143574 Performance: 64.521 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 20:05:43,134 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 150.17 -2102.2 16459 -18561 -18561 -0.00060956 -0.000781 0.00041907 5.6186e+05 2024-05-08 20:05:58,930 INFO [main.py:798]
{rank 0/64} MD step = 347000 step time: 00:00:00.149743 Performance: 64.525 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 20:06:04,981 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 150.16 -1823 16458 -18281 -18281 -0.00015239 -0.00064766 0.00099053 5.6202e+05 2024-05-08 20:06:20,267 INFO [main.py:798]
{rank 0/64} MD step = 347100 step time: 00:00:00.158092 Performance: 64.529 ns/day 0.372 hours/ns 3.734 steps/s 2024-05-08 20:06:25,773 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 150.33 -1849.4 16476 -18325 -18325 -0.0006667 -0.00072385 0.00038097 5.6219e+05 2024-05-08 20:06:41,136 INFO [main.py:798]
{rank 0/64} MD step = 347200 step time: 00:00:00.140338 Performance: 64.533 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:06:47,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347200 69440 150.12 -1902.8 16453 -18356 -18356 -0.00068575 -0.00045717 0.00087624 5.6231e+05 2024-05-08 20:07:03,943 INFO [main.py:798]
{rank 0/64} MD step = 347300 step time: 00:00:00.145922 Performance: 64.535 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:07:12,696 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 150.57 -1752 16503 -18255 -18255 -0.00080005 -0.00068575 0.00055241 5.6247e+05 2024-05-08 20:07:30,758 INFO [main.py:798]
{rank 0/64} MD step = 347400 step time: 00:00:00.147876 Performance: 64.535 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:07:41,022 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 149.81 -1959.7 16419 -18379 -18379 -0.0007429 -0.00060956 0.00030478 5.6264e+05 2024-05-08 20:07:56,708 INFO [main.py:798]
{rank 0/64} MD step = 347500 step time: 00:00:00.137336 Performance: 64.536 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:08:07,029 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 149.34 -1810 16368 -18178 -18178 -0.00052384 -0.00041907 0.00086672 5.6281e+05 2024-05-08 20:08:23,010 INFO [main.py:798]
{rank 0/64} MD step = 347600 step time: 00:00:00.149752 Performance: 64.536 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:08:29,557 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 149.83 -1990.5 16421 -18412 -18412 -0.00060003 -0.00060956 0.00038097 5.6298e+05 2024-05-08 20:08:45,226 INFO [main.py:798]
{rank 0/64} MD step = 347700 step time: 00:00:00.157823 Performance: 64.539 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:08:51,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 69540 150.68 -2044 16515 -18559 -18559 -0.00060956 -0.00053336 0.00089529 5.6312e+05 2024-05-08 20:09:06,884 INFO [main.py:798]
{rank 0/64} MD step = 347800 step time: 00:00:00.159497 Performance: 64.543 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:09:13,389 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 152.17 -1830.6 16678 -18509 -18509 -0.00091434 -0.00068575 0.00091434 5.6325e+05 2024-05-08 20:09:28,954 INFO [main.py:798]
{rank 0/64} MD step = 347900 step time: 00:00:00.157978 Performance: 64.546 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:09:35,636 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 150.3 -1940.2 16473 -18413 -18413 -0.00085719 -0.00030478 0.00028573 5.6343e+05 2024-05-08 20:09:51,387 INFO [main.py:798]
{rank 0/64} MD step = 348000 step time: 00:00:00.159863 Performance: 64.549 ns/day 0.372 hours/ns 3.735 steps/s 2024-05-08 20:09:57,009 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 147.43 -1865.8 16158 -18024 -18024 -0.00045717 -0.00051431 0.000781 5.6359e+05 2024-05-08 20:10:12,641 INFO [main.py:798]
{rank 0/64} MD step = 348100 step time: 00:00:00.160616 Performance: 64.553 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 20:10:18,824 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 149.11 -2287.3 16342 -18630 -18630 -0.00076195 -0.00034288 0.0003905 5.6374e+05 2024-05-08 20:10:34,109 INFO [main.py:798]
{rank 0/64} MD step = 348200 step time: 00:00:00.161179 Performance: 64.557 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 20:10:39,794 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 149.23 -1828.7 16356 -18185 -18185 -0.00034288 -0.00051431 0.00055241 5.6394e+05 2024-05-08 20:10:55,596 INFO [main.py:798]
{rank 0/64} MD step = 348300 step time: 00:00:00.154742 Performance: 64.560 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 20:11:00,116 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 148.41 -2067.4 16266 -18333 -18333 -0.00081909 -0.00067623 0.00057146 5.6413e+05 2024-05-08 20:11:17,324 INFO [main.py:798]
{rank 0/64} MD step = 348400 step time: 00:00:00.163823 Performance: 64.564 ns/day 0.372 hours/ns 3.736 steps/s 2024-05-08 20:11:23,349 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 149.38 -1901.8 16372 -18274 -18274 -0.00019049 -0.00057146 0.00087624 5.6428e+05 2024-05-08 20:11:39,190 INFO [main.py:798]
{rank 0/64} MD step = 348500 step time: 00:00:00.157882 Performance: 64.567 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 20:11:45,186 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 151.74 -1724.1 16631 -18355 -18355 -0.00076195 -0.00011429 0.00099053 5.6445e+05 2024-05-08 20:12:01,248 INFO [main.py:798]
{rank 0/64} MD step = 348600 step time: 00:00:00.163656 Performance: 64.571 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 20:12:06,923 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 152.1 -1689 16670 -18359 -18359 -0.00059051 -0.00068575 0.0004286 5.646e+05 2024-05-08 20:12:22,889 INFO [main.py:798]
{rank 0/64} MD step = 348700 step time: 00:00:00.161670 Performance: 64.574 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 20:12:28,984 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 150.09 -2058.6 16450 -18508 -18508 -0.00038097 -0.00053336 0.00091434 5.648e+05 2024-05-08 20:12:44,892 INFO [main.py:798]
{rank 0/64} MD step = 348800 step time: 00:00:00.162322 Performance: 64.577 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 20:12:50,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348800 69760 150.67 -1779 16513 -18292 -18292 -0.00040002 -0.00091434 0.00073337 5.6498e+05 2024-05-08 20:13:06,250 INFO [main.py:798]
{rank 0/64} MD step = 348900 step time: 00:00:00.205647 Performance: 64.581 ns/day 0.372 hours/ns 3.737 steps/s 2024-05-08 20:13:12,343 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 149.66 -1804.1 16403 -18207 -18207 -0.00086672 -0.00055241 0.00043812 5.6517e+05 2024-05-08 20:13:27,945 INFO [main.py:798]
{rank 0/64} MD step = 349000 step time: 00:00:00.161012 Performance: 64.585 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 20:13:34,604 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 148.86 -2006.7 16316 -18322 -18322 -0.00030478 -0.00099053 0.00040002 5.6531e+05 2024-05-08 20:13:50,131 INFO [main.py:798]
{rank 0/64} MD step = 349100 step time: 00:00:00.154965 Performance: 64.588 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 20:13:55,981 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 149.64 -1874.4 16401 -18275 -18275 -0.00049527 -0.00081909 0.00026668 5.6546e+05 2024-05-08 20:14:12,585 INFO [main.py:798]
{rank 0/64} MD step = 349200 step time: 00:00:00.166110 Performance: 64.591 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 20:14:19,485 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 148.09 -2059.7 16231 -18291 -18291 -0.00068575 -0.00095243 0.0007429 5.6562e+05 2024-05-08 20:14:35,477 INFO [main.py:798]
{rank 0/64} MD step = 349300 step time: 00:00:00.161920 Performance: 64.593 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 20:14:42,316 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 150.58 -1925.4 16503 -18429 -18429 -0.00025716 -0.00060956 0.00081909 5.6579e+05 2024-05-08 20:14:56,907 INFO [main.py:798]
{rank 0/64} MD step = 349400 step time: 00:00:00.159229 Performance: 64.597 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 20:15:01,529 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 149.57 -1768 16393 -18161 -18161 -0.00041907 -0.00067623 0.00058099 5.6595e+05 2024-05-08 20:15:18,065 INFO [main.py:798]
{rank 0/64} MD step = 349500 step time: 00:00:00.156111 Performance: 64.601 ns/day 0.372 hours/ns 3.738 steps/s 2024-05-08 20:15:23,005 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 148.94 -2030.1 16324 -18355 -18355 -0.00038097 -0.0006667 0.00085719 5.6604e+05 2024-05-08 20:15:39,019 INFO [main.py:798]
{rank 0/64} MD step = 349600 step time: 00:00:00.158674 Performance: 64.605 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 20:15:44,547 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 151.34 -1657 16588 -18245 -18245 -0.00060956 -0.00057146 0.00091434 5.6625e+05 2024-05-08 20:16:00,430 INFO [main.py:798]
{rank 0/64} MD step = 349700 step time: 00:00:00.159614 Performance: 64.609 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 20:16:07,947 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 150.95 -1782.6 16545 -18327 -18327 -0.00055241 -0.00068575 0.00080005 5.664e+05 2024-05-08 20:16:23,758 INFO [main.py:798]
{rank 0/64} MD step = 349800 step time: 00:00:00.159397 Performance: 64.611 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 20:16:28,820 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 152.39 -1852.8 16702 -18555 -18555 -0.00072385 -0.00067623 0.00085719 5.6656e+05 2024-05-08 20:16:47,871 INFO [main.py:798]
{rank 0/64} MD step = 349900 step time: 00:00:00.165297 Performance: 64.613 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 20:16:53,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349900 69980 148.99 -2048.5 16330 -18378 -18378 -0.00045717 -0.00041907 0.00052384 5.6674e+05 2024-05-08 20:17:08,925 INFO [main.py:798]
{rank 0/64} MD step = 350000 step time: 00:00:00.164031 Performance: 64.617 ns/day 0.371 hours/ns 3.739 steps/s 2024-05-08 20:17:15,518 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 151.46 -2064.3 16600 -18664 -18664 -0.00063813 -0.00051431 0.0006667 5.6688e+05 2024-05-08 20:17:32,131 INFO [main.py:798]
{rank 0/64} MD step = 350100 step time: 00:00:00.165134 Performance: 64.619 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 20:17:37,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350100 70020 150.76 -1723.8 16523 -18247 -18247 -0.0007048 -0.00089529 0.00059051 5.671e+05 2024-05-08 20:17:53,441 INFO [main.py:798]
{rank 0/64} MD step = 350200 step time: 00:00:00.157723 Performance: 64.623 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 20:17:59,614 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 150.03 -1801.4 16443 -18245 -18245 -0.00068575 -0.00083814 0.00053336 5.6724e+05 2024-05-08 20:18:15,362 INFO [main.py:798]
{rank 0/64} MD step = 350300 step time: 00:00:00.160786 Performance: 64.626 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 20:18:21,132 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 149.77 -1829.5 16415 -18245 -18245 -0.00045717 -0.00080005 0.00030478 5.6742e+05 2024-05-08 20:18:35,931 INFO [main.py:798]
{rank 0/64} MD step = 350400 step time: 00:00:00.164139 Performance: 64.631 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 20:18:43,343 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 150.21 -2000 16464 -18464 -18464 -0.00076195 -0.00060956 0.00072385 5.6757e+05 2024-05-08 20:18:58,348 INFO [main.py:798]
{rank 0/64} MD step = 350500 step time: 00:00:00.135979 Performance: 64.634 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 20:19:12,340 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 149.72 -2141.9 16410 -18552 -18552 -0.00057146 -0.0007048 0.00068575 5.6776e+05 2024-05-08 20:19:27,912 INFO [main.py:798]
{rank 0/64} MD step = 350600 step time: 00:00:00.139382 Performance: 64.632 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 20:19:33,178 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 151.28 -1812.6 16580 -18393 -18393 -0.00087624 -0.00041907 0.00038097 5.6795e+05 2024-05-08 20:19:48,937 INFO [main.py:798]
{rank 0/64} MD step = 350700 step time: 00:00:00.152992 Performance: 64.635 ns/day 0.371 hours/ns 3.740 steps/s 2024-05-08 20:19:54,551 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 151.22 -1795.6 16574 -18369 -18369 -0.00038097 -0.00072385 0.00068575 5.6811e+05 2024-05-08 20:20:10,487 INFO [main.py:798]
{rank 0/64} MD step = 350800 step time: 00:00:00.153426 Performance: 64.639 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 20:20:15,744 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 150.47 -2103.7 16492 -18596 -18596 -0.00057146 -0.00061908 0.00022858 5.683e+05 2024-05-08 20:20:31,661 INFO [main.py:798]
{rank 0/64} MD step = 350900 step time: 00:00:00.157188 Performance: 64.643 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 20:20:38,405 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 150.77 -2087.8 16525 -18612 -18612 -0.00053336 -0.00099053 0.00080005 5.6848e+05 2024-05-08 20:20:54,284 INFO [main.py:798]
{rank 0/64} MD step = 351000 step time: 00:00:00.159376 Performance: 64.646 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 20:21:00,080 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 148.23 -2367 16246 -18613 -18613 -0.00051431 -0.00091434 0.00072385 5.6865e+05 2024-05-08 20:21:15,965 INFO [main.py:798]
{rank 0/64} MD step = 351100 step time: 00:00:00.155280 Performance: 64.649 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 20:21:21,951 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 152.15 -1901 16676 -18577 -18577 -0.00030478 -0.00045717 0.00068575 5.6881e+05 2024-05-08 20:21:40,272 INFO [main.py:798]
{rank 0/64} MD step = 351200 step time: 00:00:00.154030 Performance: 64.651 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 20:21:51,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351200 70240 149.9 -1874.3 16429 -18303 -18303 -0.00060956 -0.00051431 0.00076195 5.6898e+05 2024-05-08 20:22:07,296 INFO [main.py:798]
{rank 0/64} MD step = 351300 step time: 00:00:00.141054 Performance: 64.651 ns/day 0.371 hours/ns 3.741 steps/s 2024-05-08 20:22:12,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351300 70260 149.15 -2053.1 16347 -18400 -18400 -0.00043812 -0.00072385 0.00044288 5.6918e+05 2024-05-08 20:22:28,840 INFO [main.py:798]
{rank 0/64} MD step = 351400 step time: 00:00:00.161470 Performance: 64.654 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 20:22:35,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351400 70280 148.68 -2182.4 16296 -18478 -18478 -0.00076195 -0.00045717 0.00083814 5.6931e+05 2024-05-08 20:22:50,567 INFO [main.py:798]
{rank 0/64} MD step = 351500 step time: 00:00:00.161230 Performance: 64.658 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 20:22:55,833 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 149.27 -1968.7 16360 -18329 -18329 -0.00041907 -0.00063813 0.00083814 5.6949e+05 2024-05-08 20:23:10,969 INFO [main.py:798]
{rank 0/64} MD step = 351600 step time: 00:00:00.150541 Performance: 64.662 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 20:23:16,624 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 153.12 -1876 16782 -18658 -18658 -0.00072385 -0.00034288 0.00053336 5.6962e+05 2024-05-08 20:23:32,736 INFO [main.py:798]
{rank 0/64} MD step = 351700 step time: 00:00:00.167190 Performance: 64.665 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 20:23:36,514 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 148.3 -2098.3 16254 -18352 -18352 -0.00076195 -0.00041907 0.00045717 5.6975e+05 2024-05-08 20:23:53,661 INFO [main.py:798]
{rank 0/64} MD step = 351800 step time: 00:00:00.163650 Performance: 64.669 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 20:23:58,815 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 150.98 -1966.3 16547 -18514 -18514 -0.00097148 -0.00053336 0.00059051 5.6989e+05 2024-05-08 20:24:14,345 INFO [main.py:798]
{rank 0/64} MD step = 351900 step time: 00:00:00.151433 Performance: 64.674 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:24:21,656 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 148.58 -2000.9 16285 -18286 -18286 -0.00083814 -0.000781 0.00068575 5.701e+05 2024-05-08 20:24:36,910 INFO [main.py:798]
{rank 0/64} MD step = 352000 step time: 00:00:00.144070 Performance: 64.676 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:24:50,237 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 147.02 -2114.2 16114 -18228 -18228 -0.00053336 -0.00041907 0.00068575 5.7024e+05 2024-05-08 20:25:05,911 INFO [main.py:798]
{rank 0/64} MD step = 352100 step time: 00:00:00.153198 Performance: 64.675 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:25:14,060 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 148.65 -2208.4 16292 -18501 -18501 -0.00038097 -0.00083814 0.00032383 5.7036e+05 2024-05-08 20:25:29,493 INFO [main.py:798]
{rank 0/64} MD step = 352200 step time: 00:00:00.147723 Performance: 64.677 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:25:55,707 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 150.44 -1788.8 16489 -18277 -18277 -0.00067623 -0.00052384 0.00028573 5.7057e+05 2024-05-08 20:26:11,197 INFO [main.py:798]
{rank 0/64} MD step = 352300 step time: 00:00:00.154783 Performance: 64.667 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 20:26:17,931 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 150.4 -1800.4 16485 -18285 -18285 -0.00027621 -0.00060956 0.00068575 5.7075e+05 2024-05-08 20:26:33,122 INFO [main.py:798]
{rank 0/64} MD step = 352400 step time: 00:00:00.134459 Performance: 64.670 ns/day 0.371 hours/ns 3.742 steps/s 2024-05-08 20:26:40,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352400 70480 149.21 -1823 16354 -18177 -18177 -0.00053336 -0.00083814 0.00099053 5.7092e+05 2024-05-08 20:26:56,600 INFO [main.py:798]
{rank 0/64} MD step = 352500 step time: 00:00:00.137401 Performance: 64.672 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:27:07,752 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 150.58 -1927.4 16504 -18431 -18431 -0.00060956 -0.00038097 0.00076195 5.7109e+05 2024-05-08 20:27:23,484 INFO [main.py:798]
{rank 0/64} MD step = 352600 step time: 00:00:00.145022 Performance: 64.672 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:27:30,813 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 149.61 -2047.5 16397 -18445 -18445 -0.00083814 -0.00065718 0.00092386 5.7126e+05 2024-05-08 20:27:46,742 INFO [main.py:798]
{rank 0/64} MD step = 352700 step time: 00:00:00.160198 Performance: 64.675 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:27:55,971 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 151.72 -1498 16629 -18127 -18127 -0.00083814 -0.00063813 0.00064766 5.714e+05 2024-05-08 20:28:11,146 INFO [main.py:798]
{rank 0/64} MD step = 352800 step time: 00:00:00.154227 Performance: 64.676 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:28:22,260 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 149.04 -2008.4 16335 -18344 -18344 -0.00060003 -0.00047622 0.00080005 5.7153e+05 2024-05-08 20:28:38,127 INFO [main.py:798]
{rank 0/64} MD step = 352900 step time: 00:00:00.168237 Performance: 64.676 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:28:45,414 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 151.23 -1642 16575 -18218 -18218 -0.00068575 -0.00053336 0.00041907 5.7174e+05 2024-05-08 20:29:01,047 INFO [main.py:798]
{rank 0/64} MD step = 353000 step time: 00:00:00.158825 Performance: 64.679 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:29:09,462 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 148.72 -1897.1 16300 -18197 -18197 -0.00067147 -0.00062861 0.00064766 5.7191e+05 2024-05-08 20:29:25,479 INFO [main.py:798]
{rank 0/64} MD step = 353100 step time: 00:00:00.159553 Performance: 64.680 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:29:32,718 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 151.85 -1765.2 16643 -18408 -18408 -0.00073337 -0.00083814 0.00062861 5.7204e+05 2024-05-08 20:29:48,591 INFO [main.py:798]
{rank 0/64} MD step = 353200 step time: 00:00:00.169405 Performance: 64.683 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:29:53,687 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 148.66 -2072.3 16293 -18365 -18365 -0.00051431 -0.00098101 0.00055241 5.7223e+05 2024-05-08 20:30:10,462 INFO [main.py:798]
{rank 0/64} MD step = 353300 step time: 00:00:00.162349 Performance: 64.686 ns/day 0.371 hours/ns 3.743 steps/s 2024-05-08 20:30:17,107 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 149.76 -1971.6 16413 -18385 -18385 -0.00041907 -0.00047622 0.000781 5.7235e+05 2024-05-08 20:30:32,779 INFO [main.py:798]
{rank 0/64} MD step = 353400 step time: 00:00:00.158390 Performance: 64.689 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 20:30:40,284 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 149.02 -2316.8 16333 -18649 -18649 -0.00049527 -0.00080005 0.00061908 5.7248e+05 2024-05-08 20:30:56,031 INFO [main.py:798]
{rank 0/64} MD step = 353500 step time: 00:00:00.152871 Performance: 64.691 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 20:31:03,402 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 150.31 -1819.5 16475 -18294 -18294 -0.00041907 -0.00068575 0.00059051 5.7271e+05 2024-05-08 20:31:19,178 INFO [main.py:798]
{rank 0/64} MD step = 353600 step time: 00:00:00.166591 Performance: 64.694 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 20:31:26,487 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 147.41 -2189.9 16157 -18346 -18346 -0.00060956 -0.0010286 0.00026668 5.729e+05 2024-05-08 20:31:41,562 INFO [main.py:798]
{rank 0/64} MD step = 353700 step time: 00:00:00.150877 Performance: 64.697 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 20:31:46,824 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 150.23 -2000.8 16466 -18467 -18467 -0.00086672 -0.00050479 0.00090481 5.7302e+05 2024-05-08 20:32:04,110 INFO [main.py:798]
{rank 0/64} MD step = 353800 step time: 00:00:00.148368 Performance: 64.700 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 20:32:10,691 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 151.5 -1781.7 16604 -18386 -18386 -0.00034288 -0.00049527 0.00084767 5.7314e+05 2024-05-08 20:32:26,222 INFO [main.py:798]
{rank 0/64} MD step = 353900 step time: 00:00:00.176833 Performance: 64.703 ns/day 0.371 hours/ns 3.744 steps/s 2024-05-08 20:32:31,612 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 151.09 -1767.2 16559 -18327 -18327 -0.00080005 -0.00064766 0.00089529 5.733e+05 2024-05-08 20:32:49,209 INFO [main.py:798]
{rank 0/64} MD step = 354000 step time: 00:00:00.152980 Performance: 64.705 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:32:55,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354000 70800 146.9 -2181.4 16101 -18282 -18282 -0.00064766 -0.00057146 0.00038097 5.7348e+05 2024-05-08 20:33:10,908 INFO [main.py:798]
{rank 0/64} MD step = 354100 step time: 00:00:00.150163 Performance: 64.709 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:33:24,722 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 149.85 -1872.5 16424 -18297 -18297 -0.00041907 -0.0003143 0.00022858 5.7362e+05 2024-05-08 20:33:41,241 INFO [main.py:798]
{rank 0/64} MD step = 354200 step time: 00:00:00.156927 Performance: 64.706 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:33:50,461 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 149.92 -1733.4 16432 -18165 -18165 -0.00064766 -0.00057146 0.00049527 5.7382e+05 2024-05-08 20:34:06,136 INFO [main.py:798]
{rank 0/64} MD step = 354300 step time: 00:00:00.167673 Performance: 64.707 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:34:15,864 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 150.78 -1913.1 16526 -18439 -18439 -0.00072385 -0.00079052 0.00049527 5.7394e+05 2024-05-08 20:34:33,305 INFO [main.py:798]
{rank 0/64} MD step = 354400 step time: 00:00:00.156011 Performance: 64.707 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:34:38,880 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 151.74 -1821.4 16631 -18452 -18452 -0.0003905 -0.0003524 0.00017144 5.7409e+05 2024-05-08 20:34:54,875 INFO [main.py:798]
{rank 0/64} MD step = 354500 step time: 00:00:00.148810 Performance: 64.711 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:35:01,102 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 151.55 -1777.7 16610 -18387 -18387 -0.00053336 -0.00041907 0.00045717 5.743e+05 2024-05-08 20:35:17,148 INFO [main.py:798]
{rank 0/64} MD step = 354600 step time: 00:00:00.155196 Performance: 64.714 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:35:22,416 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 148.81 -2026.4 16310 -18336 -18336 -0.00080005 -0.00064766 0.00051431 5.7448e+05 2024-05-08 20:35:40,145 INFO [main.py:798]
{rank 0/64} MD step = 354700 step time: 00:00:00.162341 Performance: 64.716 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:35:46,686 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 151.9 -1731.3 16648 -18379 -18379 -0.0006667 -0.00049527 0.00036193 5.7468e+05 2024-05-08 20:36:02,033 INFO [main.py:798]
{rank 0/64} MD step = 354800 step time: 00:00:00.157374 Performance: 64.719 ns/day 0.371 hours/ns 3.745 steps/s 2024-05-08 20:36:08,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354800 70960 152.05 -1722.3 16665 -18387 -18387 -0.00049527 -0.00083814 0.00076195 5.7478e+05 2024-05-08 20:36:24,511 INFO [main.py:798]
{rank 0/64} MD step = 354900 step time: 00:00:00.149492 Performance: 64.722 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 20:36:31,537 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 149.65 -1989.6 16401 -18391 -18391 -0.00064766 -0.00095243 0.00053336 5.7496e+05 2024-05-08 20:36:47,469 INFO [main.py:798]
{rank 0/64} MD step = 355000 step time: 00:00:00.155812 Performance: 64.725 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 20:36:54,101 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 147.12 -2221.7 16125 -18347 -18347 -0.00047622 -0.00028573 0.00041907 5.751e+05 2024-05-08 20:37:10,072 INFO [main.py:798]
{rank 0/64} MD step = 355100 step time: 00:00:00.150181 Performance: 64.728 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 20:37:17,327 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 149.81 -1718.8 16419 -18138 -18138 -0.00038097 -0.00098101 0.00081909 5.7528e+05 2024-05-08 20:37:34,706 INFO [main.py:798]
{rank 0/64} MD step = 355200 step time: 00:00:00.152350 Performance: 64.729 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 20:37:40,590 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 149.09 -2110 16341 -18451 -18451 -0.00068575 -0.00057146 0.00081909 5.7542e+05 2024-05-08 20:37:56,646 INFO [main.py:798]
{rank 0/64} MD step = 355300 step time: 00:00:00.159074 Performance: 64.732 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 20:38:02,583 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 149.12 -2193.5 16344 -18537 -18537 -0.00043812 -0.00045717 0.00038097 5.7558e+05 2024-05-08 20:38:18,526 INFO [main.py:798]
{rank 0/64} MD step = 355400 step time: 00:00:00.155904 Performance: 64.736 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 20:38:25,839 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 151.35 -1654 16588 -18242 -18242 -0.00072385 -0.0010858 7.6195e-05 5.7578e+05 2024-05-08 20:38:41,921 INFO [main.py:798]
{rank 0/64} MD step = 355500 step time: 00:00:00.159121 Performance: 64.738 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 20:38:46,573 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 150.99 -1848.7 16548 -18397 -18397 -0.00062861 -0.00095243 0.00072385 5.7595e+05 2024-05-08 20:39:04,229 INFO [main.py:798]
{rank 0/64} MD step = 355600 step time: 00:00:00.159468 Performance: 64.741 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:39:12,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355600 71120 150.25 -1822.3 16468 -18290 -18290 -0.00041907 -0.00076671 0.00075242 5.7618e+05 2024-05-08 20:39:28,559 INFO [main.py:798]
{rank 0/64} MD step = 355700 step time: 00:00:00.159501 Performance: 64.742 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:39:36,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355700 71140 150.08 -1804.9 16449 -18254 -18254 -0.00075242 -0.00026668 0.00095243 5.7638e+05 2024-05-08 20:39:52,268 INFO [main.py:798]
{rank 0/64} MD step = 355800 step time: 00:00:00.158829 Performance: 64.744 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:40:00,353 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 151.14 -1920 16565 -18485 -18485 -0.0007429 -0.00030478 0.0010096 5.765e+05 2024-05-08 20:40:16,243 INFO [main.py:798]
{rank 0/64} MD step = 355900 step time: 00:00:00.182322 Performance: 64.746 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:40:39,262 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 150.73 -1763.5 16520 -18283 -18283 -0.00062861 -0.00068575 0.00068575 5.7671e+05 2024-05-08 20:40:55,068 INFO [main.py:798]
{rank 0/64} MD step = 356000 step time: 00:00:00.154734 Performance: 64.738 ns/day 0.371 hours/ns 3.746 steps/s 2024-05-08 20:41:03,740 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 148.51 -1976.6 16276 -18253 -18253 -0.00068575 -0.00087624 0.00047622 5.7684e+05 2024-05-08 20:41:18,856 INFO [main.py:798]
{rank 0/64} MD step = 356100 step time: 00:00:00.158362 Performance: 64.740 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:41:25,482 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 148.43 -1960 16268 -18228 -18228 -0.0007429 -0.00041907 0.00041907 5.77e+05 2024-05-08 20:41:41,468 INFO [main.py:798]
{rank 0/64} MD step = 356200 step time: 00:00:00.159654 Performance: 64.743 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:41:49,590 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 150.34 -2020.2 16477 -18498 -18498 -0.00055241 -0.00059051 7.6195e-05 5.7716e+05 2024-05-08 20:42:05,418 INFO [main.py:798]
{rank 0/64} MD step = 356300 step time: 00:00:00.156478 Performance: 64.745 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:42:11,649 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 151.95 -1774.8 16654 -18428 -18428 -0.00045717 -0.00030478 0.00051431 5.7736e+05 2024-05-08 20:42:27,497 INFO [main.py:798]
{rank 0/64} MD step = 356400 step time: 00:00:00.161188 Performance: 64.748 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:42:34,488 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 150.22 -1914.6 16464 -18379 -18379 -0.0010286 -0.00041907 0.00038097 5.7748e+05 2024-05-08 20:42:49,328 INFO [main.py:798]
{rank 0/64} MD step = 356500 step time: 00:00:00.156926 Performance: 64.751 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:42:58,347 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 152.14 -1617.9 16675 -18293 -18293 -0.00072385 -0.0006667 0.00083814 5.7766e+05 2024-05-08 20:43:13,913 INFO [main.py:798]
{rank 0/64} MD step = 356600 step time: 00:00:00.159106 Performance: 64.753 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:43:22,933 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 150.8 -1982.4 16528 -18510 -18510 -0.00033335 -0.00076195 0.00076195 5.7779e+05 2024-05-08 20:43:38,751 INFO [main.py:798]
{rank 0/64} MD step = 356700 step time: 00:00:00.164765 Performance: 64.754 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:43:47,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356700 71340 149.04 -2093.6 16335 -18428 -18428 -0.00030478 -0.00068575 0.00050479 5.7793e+05 2024-05-08 20:44:03,330 INFO [main.py:798]
{rank 0/64} MD step = 356800 step time: 00:00:00.163242 Performance: 64.755 ns/day 0.371 hours/ns 3.747 steps/s 2024-05-08 20:44:10,033 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 151.57 -1964.8 16612 -18577 -18577 -0.00053336 -0.00022858 0.00043812 5.7807e+05 2024-05-08 20:44:26,037 INFO [main.py:798]
{rank 0/64} MD step = 356900 step time: 00:00:00.159877 Performance: 64.758 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:44:32,566 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 149.91 -1985.2 16431 -18416 -18416 -0.00076195 -0.00072385 0.00076195 5.7828e+05 2024-05-08 20:44:48,257 INFO [main.py:798]
{rank 0/64} MD step = 357000 step time: 00:00:00.152026 Performance: 64.761 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:44:57,125 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 150.94 -1678.9 16543 -18222 -18222 -0.00053336 -0.00067623 0.00089529 5.7843e+05 2024-05-08 20:45:13,812 INFO [main.py:798]
{rank 0/64} MD step = 357100 step time: 00:00:00.143788 Performance: 64.762 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:45:25,347 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 151.33 -1841.2 16586 -18427 -18427 -0.00086672 -0.00064766 0.00093339 5.7858e+05 2024-05-08 20:45:40,927 INFO [main.py:798]
{rank 0/64} MD step = 357200 step time: 00:00:00.156510 Performance: 64.761 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:45:48,291 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 150.6 -1818.8 16506 -18324 -18324 -0.00076195 -0.00081909 0.00043812 5.7872e+05 2024-05-08 20:46:03,539 INFO [main.py:798]
{rank 0/64} MD step = 357300 step time: 00:00:00.148627 Performance: 64.764 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:46:10,278 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 149.72 -1731.4 16409 -18141 -18141 -0.00064766 -0.00051431 0.00053336 5.7889e+05 2024-05-08 20:46:26,079 INFO [main.py:798]
{rank 0/64} MD step = 357400 step time: 00:00:00.147483 Performance: 64.767 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:46:33,332 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 151.96 -1843.6 16655 -18498 -18498 -0.0005667 -0.00069528 0.00041907 5.7906e+05 2024-05-08 20:46:49,210 INFO [main.py:798]
{rank 0/64} MD step = 357500 step time: 00:00:00.142050 Performance: 64.769 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:46:58,085 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 149.61 -1888.2 16397 -18285 -18285 -0.00047622 -0.00076195 0.00051431 5.7925e+05 2024-05-08 20:47:13,351 INFO [main.py:798]
{rank 0/64} MD step = 357600 step time: 00:00:00.151746 Performance: 64.771 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:47:19,617 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 148.59 -2228.7 16286 -18515 -18515 -0.00062861 -0.00080005 0.00068575 5.7937e+05 2024-05-08 20:47:36,638 INFO [main.py:798]
{rank 0/64} MD step = 357700 step time: 00:00:00.161604 Performance: 64.773 ns/day 0.371 hours/ns 3.748 steps/s 2024-05-08 20:47:43,901 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 151.32 -2049.3 16585 -18635 -18635 -0.00027621 -0.00045717 0.00051431 5.7957e+05 2024-05-08 20:47:59,949 INFO [main.py:798]
{rank 0/64} MD step = 357800 step time: 00:00:00.150308 Performance: 64.776 ns/day 0.371 hours/ns 3.749 steps/s 2024-05-08 20:48:07,067 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 151.73 -1936.6 16630 -18567 -18567 -0.00055241 -0.00083814 0.00068575 5.797e+05 2024-05-08 20:48:22,350 INFO [main.py:798]
{rank 0/64} MD step = 357900 step time: 00:00:00.142356 Performance: 64.779 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 20:48:30,099 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 151.41 -2023.7 16595 -18619 -18619 -0.00062861 -0.00064766 0.0007048 5.7984e+05 2024-05-08 20:48:45,791 INFO [main.py:798]
{rank 0/64} MD step = 358000 step time: 00:00:00.151457 Performance: 64.781 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 20:48:51,989 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 149.51 -2081.9 16386 -18468 -18468 -0.00063813 -0.00081909 0.00041907 5.8005e+05 2024-05-08 20:49:08,536 INFO [main.py:798]
{rank 0/64} MD step = 358100 step time: 00:00:00.147385 Performance: 64.784 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 20:49:20,868 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 148.38 -1964.9 16263 -18228 -18228 -0.00099053 -0.00038097 0.00038097 5.802e+05 2024-05-08 20:49:40,216 INFO [main.py:798]
{rank 0/64} MD step = 358200 step time: 00:00:00.150705 Performance: 64.780 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 20:49:47,004 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 151.32 -1782.3 16585 -18367 -18367 -0.00072861 -0.00049527 0.00089529 5.8032e+05 2024-05-08 20:50:02,527 INFO [main.py:798]
{rank 0/64} MD step = 358300 step time: 00:00:00.152672 Performance: 64.783 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 20:50:07,139 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 151.83 -1938.7 16640 -18579 -18579 -0.000781 -0.00091434 0.00083814 5.805e+05 2024-05-08 20:50:24,765 INFO [main.py:798]
{rank 0/64} MD step = 358400 step time: 00:00:00.150801 Performance: 64.786 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 20:50:29,484 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 147.63 -2357.6 16181 -18538 -18538 -0.00022858 -0.00055241 0.000781 5.8067e+05 2024-05-08 20:50:45,449 INFO [main.py:798]
{rank 0/64} MD step = 358500 step time: 00:00:00.155041 Performance: 64.790 ns/day 0.370 hours/ns 3.749 steps/s 2024-05-08 20:50:51,585 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 148.36 -2018.7 16260 -18279 -18279 -0.00065718 -0.00040002 0.00060956 5.8085e+05 2024-05-08 20:51:08,394 INFO [main.py:798]
{rank 0/64} MD step = 358600 step time: 00:00:00.135666 Performance: 64.793 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 20:51:14,704 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 149.76 -2038.6 16414 -18453 -18453 -0.00038097 -0.00068575 0.00045717 5.81e+05 2024-05-08 20:51:30,725 INFO [main.py:798]
{rank 0/64} MD step = 358700 step time: 00:00:00.138676 Performance: 64.796 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 20:51:38,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358700 71740 147.69 -2119.2 16187 -18306 -18306 -0.00047622 -0.00068575 0.00064766 5.8116e+05 2024-05-08 20:51:55,027 INFO [main.py:798]
{rank 0/64} MD step = 358800 step time: 00:00:00.145384 Performance: 64.797 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 20:52:00,959 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 151.11 -2168 16561 -18729 -18729 -0.00038097 -0.00072385 0.00041907 5.8129e+05 2024-05-08 20:52:17,118 INFO [main.py:798]
{rank 0/64} MD step = 358900 step time: 00:00:00.159992 Performance: 64.800 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 20:52:22,857 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 150.66 -2022.8 16513 -18536 -18536 -0.00087624 -0.00034288 0.00080005 5.8151e+05 2024-05-08 20:52:38,477 INFO [main.py:798]
{rank 0/64} MD step = 359000 step time: 00:00:00.162292 Performance: 64.804 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 20:52:45,712 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 150.08 -2009.2 16449 -18458 -18458 -0.0006667 -0.0007048 0.00083814 5.8164e+05 2024-05-08 20:53:01,177 INFO [main.py:798]
{rank 0/64} MD step = 359100 step time: 00:00:00.158568 Performance: 64.807 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 20:53:07,443 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 152.09 -1659.2 16670 -18329 -18329 -0.00064766 -0.00038097 0.00059051 5.8188e+05 2024-05-08 20:53:25,146 INFO [main.py:798]
{rank 0/64} MD step = 359200 step time: 00:00:00.164346 Performance: 64.808 ns/day 0.370 hours/ns 3.750 steps/s 2024-05-08 20:53:30,841 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 152.26 -1811.1 16688 -18499 -18499 -0.00043812 -0.00049527 0.00060956 5.8204e+05 2024-05-08 20:53:47,178 INFO [main.py:798]
{rank 0/64} MD step = 359300 step time: 00:00:00.155831 Performance: 64.812 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 20:53:53,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359300 71860 150.68 -2099.8 16514 -18614 -18614 -0.00053336 -0.00041907 0.00030478 5.8215e+05 2024-05-08 20:54:09,317 INFO [main.py:798]
{rank 0/64} MD step = 359400 step time: 00:00:00.159327 Performance: 64.815 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 20:54:16,391 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 149.78 -1864.1 16416 -18280 -18280 -0.00072385 -0.00087624 0.00068575 5.8236e+05 2024-05-08 20:54:32,362 INFO [main.py:798]
{rank 0/64} MD step = 359500 step time: 00:00:00.161401 Performance: 64.817 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 20:54:38,170 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 148.96 -2117.2 16326 -18443 -18443 -0.00093339 -0.00081909 0.00087624 5.8252e+05 2024-05-08 20:54:53,824 INFO [main.py:798]
{rank 0/64} MD step = 359600 step time: 00:00:00.167894 Performance: 64.821 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 20:55:01,333 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 150.83 -1850.2 16531 -18381 -18381 -0.00076195 -0.00081909 0.00048574 5.8266e+05 2024-05-08 20:55:16,063 INFO [main.py:798]
{rank 0/64} MD step = 359700 step time: 00:00:00.155905 Performance: 64.824 ns/day 0.370 hours/ns 3.751 steps/s 2024-05-08 20:55:21,866 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 150.64 -1881.4 16511 -18392 -18392 -0.00026668 -0.0006667 0.00049527 5.8285e+05 2024-05-08 20:55:37,483 INFO [main.py:798]
{rank 0/64} MD step = 359800 step time: 00:00:00.157357 Performance: 64.827 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:55:44,852 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 149.33 -1972 16367 -18338 -18338 -0.00057146 -0.00044764 0.00037145 5.8303e+05 2024-05-08 20:56:00,464 INFO [main.py:798]
{rank 0/64} MD step = 359900 step time: 00:00:00.160544 Performance: 64.830 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:56:09,087 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 148.88 -2123.2 16317 -18441 -18441 -0.00072385 -0.00083814 0.00049527 5.832e+05 2024-05-08 20:56:24,495 INFO [main.py:798]
{rank 0/64} MD step = 360000 step time: 00:00:00.160576 Performance: 64.831 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:56:31,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360000 72000 151.08 -1780.6 16558 -18339 -18339 -0.00058575 -0.00032383 0.00055241 5.8335e+05 2024-05-08 20:56:47,034 INFO [main.py:798]
{rank 0/64} MD step = 360100 step time: 00:00:00.165178 Performance: 64.834 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:56:53,044 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 148.29 -2152 16252 -18404 -18404 -0.000781 -0.00095243 0.00011429 5.8353e+05 2024-05-08 20:57:09,061 INFO [main.py:798]
{rank 0/64} MD step = 360200 step time: 00:00:00.167467 Performance: 64.837 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:57:16,487 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 148.44 -2280.3 16269 -18550 -18550 -0.00057146 -0.0007429 0.00080005 5.8366e+05 2024-05-08 20:57:31,463 INFO [main.py:798]
{rank 0/64} MD step = 360300 step time: 00:00:00.159625 Performance: 64.840 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:57:41,911 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 151.89 -1571.9 16647 -18219 -18219 -0.00072385 -0.00034288 0.00054289 5.8384e+05 2024-05-08 20:57:57,136 INFO [main.py:798]
{rank 0/64} MD step = 360400 step time: 00:00:00.164433 Performance: 64.841 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:58:04,788 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 150.48 -1744.8 16492 -18237 -18237 -0.00043812 -0.00048574 0.00091434 5.8398e+05 2024-05-08 20:58:19,370 INFO [main.py:798]
{rank 0/64} MD step = 360500 step time: 00:00:00.145073 Performance: 64.844 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 20:58:25,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360500 72100 149.72 -1779.2 16410 -18189 -18189 -0.00093339 -0.00099053 0.00053336 5.8414e+05 2024-05-08 20:58:40,572 INFO [main.py:798]
{rank 0/64} MD step = 360600 step time: 00:00:00.147991 Performance: 64.847 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 20:59:04,209 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 149.49 -2069.1 16384 -18453 -18453 -0.00064766 -0.00097148 0.00064766 5.843e+05 2024-05-08 20:59:19,876 INFO [main.py:798]
{rank 0/64} MD step = 360700 step time: 00:00:00.158080 Performance: 64.839 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:59:29,196 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 149.62 -2077.2 16398 -18475 -18475 -0.00061908 -0.00049527 0.00072385 5.8447e+05 2024-05-08 20:59:44,543 INFO [main.py:798]
{rank 0/64} MD step = 360800 step time: 00:00:00.155832 Performance: 64.840 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 20:59:51,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360800 72160 149.78 -2167.5 16416 -18584 -18584 -0.00085719 -0.00097148 0.00051431 5.8462e+05 2024-05-08 21:00:08,704 INFO [main.py:798]
{rank 0/64} MD step = 360900 step time: 00:00:00.161347 Performance: 64.842 ns/day 0.370 hours/ns 3.752 steps/s 2024-05-08 21:00:15,827 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 150.22 -1978.4 16465 -18443 -18443 -0.00050479 -0.00034288 0.00045717 5.8478e+05 2024-05-08 21:00:31,566 INFO [main.py:798]
{rank 0/64} MD step = 361000 step time: 00:00:00.164864 Performance: 64.844 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:00:38,022 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 150.45 -1817.6 16489 -18307 -18307 -0.00047622 -0.00065718 0.00067623 5.8499e+05 2024-05-08 21:00:53,158 INFO [main.py:798]
{rank 0/64} MD step = 361100 step time: 00:00:00.167289 Performance: 64.848 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:01:00,899 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 151.72 -1712.1 16629 -18341 -18341 -0.00049527 -0.00068575 0.00043812 5.851e+05 2024-05-08 21:01:16,164 INFO [main.py:798]
{rank 0/64} MD step = 361200 step time: 00:00:00.179125 Performance: 64.850 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:01:27,721 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 149.67 -2159.9 16404 -18564 -18564 -0.00049527 -0.00020954 0.000781 5.8524e+05 2024-05-08 21:01:43,701 INFO [main.py:798]
{rank 0/64} MD step = 361300 step time: 00:00:00.161968 Performance: 64.850 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:01:52,917 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 149.64 -2178.8 16401 -18579 -18579 -0.00038097 -0.00051431 0.00047622 5.8539e+05 2024-05-08 21:02:08,990 INFO [main.py:798]
{rank 0/64} MD step = 361400 step time: 00:00:00.160533 Performance: 64.851 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:02:15,150 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 149.23 -1991.1 16356 -18347 -18347 -0.00080719 -0.00076195 0.00089529 5.8561e+05 2024-05-08 21:02:30,923 INFO [main.py:798]
{rank 0/64} MD step = 361500 step time: 00:00:00.160405 Performance: 64.854 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:02:38,533 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 151.99 -1812.9 16658 -18471 -18471 -0.00064766 -0.00019049 0.00053336 5.8576e+05 2024-05-08 21:02:54,706 INFO [main.py:798]
{rank 0/64} MD step = 361600 step time: 00:00:00.168669 Performance: 64.856 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:03:01,251 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 148.17 -2020.2 16240 -18260 -18260 -0.00089529 -0.00062861 0.00036193 5.8594e+05 2024-05-08 21:03:17,328 INFO [main.py:798]
{rank 0/64} MD step = 361700 step time: 00:00:00.154874 Performance: 64.858 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:03:24,052 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 150.21 -1900.1 16463 -18363 -18363 -0.00072385 -0.00068575 0.00071433 5.8612e+05 2024-05-08 21:03:40,114 INFO [main.py:798]
{rank 0/64} MD step = 361800 step time: 00:00:00.157978 Performance: 64.861 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 21:03:54,428 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 147.93 -2280.6 16213 -18494 -18494 -0.00046669 -0.00062861 0.00034288 5.863e+05 2024-05-08 21:04:10,824 INFO [main.py:798]
{rank 0/64} MD step = 361900 step time: 00:00:00.153418 Performance: 64.858 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:04:26,110 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 152 -1901.7 16659 -18561 -18561 -0.00062861 -0.00059051 0.00062861 5.8644e+05 2024-05-08 21:04:45,611 INFO [main.py:798]
{rank 0/64} MD step = 362000 step time: 00:00:00.158738 Performance: 64.853 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:04:54,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362000 72400 149.65 -2074.6 16401 -18476 -18476 -0.00041907 -0.00087624 0.00069528 5.8659e+05 2024-05-08 21:05:10,457 INFO [main.py:798]
{rank 0/64} MD step = 362100 step time: 00:00:00.146289 Performance: 64.854 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:05:17,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362100 72420 148.69 -2157.2 16296 -18454 -18454 -0.00073814 -0.00051431 0.00072385 5.8676e+05 2024-05-08 21:05:33,814 INFO [main.py:798]
{rank 0/64} MD step = 362200 step time: 00:00:00.148266 Performance: 64.856 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:05:40,087 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 151.86 -1693.4 16644 -18337 -18337 -0.00053336 -0.00085719 0.00015239 5.8694e+05 2024-05-08 21:05:57,091 INFO [main.py:798]
{rank 0/64} MD step = 362300 step time: 00:00:00.158136 Performance: 64.859 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:06:07,897 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 149.56 -1904.4 16393 -18297 -18297 -0.00068575 -0.00076195 0.00045717 5.8709e+05 2024-05-08 21:06:23,771 INFO [main.py:798]
{rank 0/64} MD step = 362400 step time: 00:00:00.155817 Performance: 64.858 ns/day 0.370 hours/ns 3.753 steps/s 2024-05-08 21:06:29,997 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 150.68 -1888.2 16515 -18403 -18403 -0.00060956 -0.00094291 0.00087624 5.8724e+05 2024-05-08 21:06:45,937 INFO [main.py:798]
{rank 0/64} MD step = 362500 step time: 00:00:00.150917 Performance: 64.861 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 21:06:51,326 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 149.98 -2064.5 16438 -18503 -18503 -0.00064766 -0.00057146 0.00087624 5.874e+05 2024-05-08 21:07:07,436 INFO [main.py:798]
{rank 0/64} MD step = 362600 step time: 00:00:00.156583 Performance: 64.865 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 21:07:14,600 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 149.63 -2255 16400 -18655 -18655 -0.00076195 -0.00062861 0.00076195 5.8756e+05 2024-05-08 21:07:30,079 INFO [main.py:798]
{rank 0/64} MD step = 362700 step time: 00:00:00.159737 Performance: 64.868 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 21:07:35,616 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 148.44 -2241.1 16269 -18510 -18510 -0.00074766 -0.00075242 0.00057146 5.8772e+05 2024-05-08 21:07:52,623 INFO [main.py:798]
{rank 0/64} MD step = 362800 step time: 00:00:00.156688 Performance: 64.870 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 21:07:56,916 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 153.48 -1179.8 16821 -18001 -18001 -0.0004405 -0.00089529 0.00072385 5.8792e+05 2024-05-08 21:08:14,558 INFO [main.py:798]
{rank 0/64} MD step = 362900 step time: 00:00:00.164828 Performance: 64.874 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 21:08:21,040 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 151.28 -1709 16580 -18289 -18289 -0.00089529 -0.000781 0.00083814 5.8806e+05 2024-05-08 21:08:37,038 INFO [main.py:798]
{rank 0/64} MD step = 363000 step time: 00:00:00.160832 Performance: 64.876 ns/day 0.370 hours/ns 3.754 steps/s 2024-05-08 21:08:43,899 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 149.78 -1763.3 16416 -18179 -18179 -0.00060956 -0.00076195 0.00061908 5.8826e+05 2024-05-08 21:08:59,512 INFO [main.py:798]
{rank 0/64} MD step = 363100 step time: 00:00:00.160104 Performance: 64.879 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:09:09,245 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 150.24 -2017.8 16467 -18485 -18485 -0.0007429 -0.00064766 0.00053336 5.8841e+05 2024-05-08 21:09:24,101 INFO [main.py:798]
{rank 0/64} MD step = 363200 step time: 00:00:00.142991 Performance: 64.880 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:09:32,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363200 72640 150.78 -2035.9 16526 -18562 -18562 -0.00051431 -0.0006048 0.00092386 5.8861e+05 2024-05-08 21:09:47,420 INFO [main.py:798]
{rank 0/64} MD step = 363300 step time: 00:00:00.147079 Performance: 64.883 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:09:53,209 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 150.45 -1856.1 16489 -18345 -18345 -0.00053336 -0.00099053 0.00072385 5.8879e+05 2024-05-08 21:10:08,985 INFO [main.py:798]
{rank 0/64} MD step = 363400 step time: 00:00:00.145175 Performance: 64.886 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:10:14,740 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 152.3 -1586.9 16692 -18279 -18279 -0.00080005 -0.00075242 0.00047622 5.8897e+05 2024-05-08 21:10:30,704 INFO [main.py:798]
{rank 0/64} MD step = 363500 step time: 00:00:00.153323 Performance: 64.889 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:10:38,021 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 150.6 -1943.2 16506 -18449 -18449 -0.00060956 -0.00041907 0.00072385 5.8914e+05 2024-05-08 21:10:53,512 INFO [main.py:798]
{rank 0/64} MD step = 363600 step time: 00:00:00.147336 Performance: 64.892 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:11:07,273 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 151.71 -1655.9 16628 -18284 -18284 -0.00053336 -0.00065718 0.00049527 5.8934e+05 2024-05-08 21:11:24,824 INFO [main.py:798]
{rank 0/64} MD step = 363700 step time: 00:00:00.153723 Performance: 64.889 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:11:34,542 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 149.3 -2039.5 16364 -18403 -18403 -0.00041907 -0.00087624 0.00051431 5.8946e+05 2024-05-08 21:11:50,121 INFO [main.py:798]
{rank 0/64} MD step = 363800 step time: 00:00:00.152964 Performance: 64.890 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:11:57,002 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 151.75 -1602.6 16632 -18234 -18234 -0.00072385 -0.00030478 0.0007048 5.896e+05 2024-05-08 21:12:13,272 INFO [main.py:798]
{rank 0/64} MD step = 363900 step time: 00:00:00.158654 Performance: 64.892 ns/day 0.370 hours/ns 3.755 steps/s 2024-05-08 21:12:19,502 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 151.44 -1956.1 16598 -18554 -18554 -0.0005667 -0.00064766 0.0007048 5.8978e+05 2024-05-08 21:12:35,215 INFO [main.py:798]
{rank 0/64} MD step = 364000 step time: 00:00:00.165803 Performance: 64.895 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 21:12:40,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364000 72800 152.15 -1774.4 16676 -18450 -18450 -0.00081909 -0.00064766 0.00083814 5.8997e+05 2024-05-08 21:12:58,060 INFO [main.py:798]
{rank 0/64} MD step = 364100 step time: 00:00:00.151637 Performance: 64.898 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 21:13:05,073 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 151.68 -1984.1 16625 -18609 -18609 -0.00041907 -0.00091434 0.00089529 5.9012e+05 2024-05-08 21:13:20,160 INFO [main.py:798]
{rank 0/64} MD step = 364200 step time: 00:00:00.158377 Performance: 64.901 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 21:13:27,328 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 152.6 -1766.8 16725 -18492 -18492 -0.00087624 -0.00072385 0.00072385 5.9031e+05 2024-05-08 21:13:42,833 INFO [main.py:798]
{rank 0/64} MD step = 364300 step time: 00:00:00.154829 Performance: 64.903 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 21:13:46,715 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 150.76 -1928.8 16524 -18452 -18452 -0.00076195 -0.00045717 0.00068575 5.9043e+05 2024-05-08 21:14:04,375 INFO [main.py:798]
{rank 0/64} MD step = 364400 step time: 00:00:00.162670 Performance: 64.907 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 21:14:10,236 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 148.67 -2046 16295 -18341 -18341 -0.00045717 -0.00064766 0.00085719 5.9057e+05 2024-05-08 21:14:25,569 INFO [main.py:798]
{rank 0/64} MD step = 364500 step time: 00:00:00.138009 Performance: 64.910 ns/day 0.370 hours/ns 3.756 steps/s 2024-05-08 21:14:29,681 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 151.75 -1913.4 16632 -18546 -18546 -0.00026668 -0.00048574 0.00041907 5.9076e+05 2024-05-08 21:14:46,951 INFO [main.py:798]
{rank 0/64} MD step = 364600 step time: 00:00:00.154474 Performance: 64.914 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 21:14:55,718 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 149.58 -2021.8 16394 -18416 -18416 -0.00051431 -0.00081909 0.0007048 5.9089e+05 2024-05-08 21:15:11,600 INFO [main.py:798]
{rank 0/64} MD step = 364700 step time: 00:00:00.165410 Performance: 64.915 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 21:15:18,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364700 72940 149.68 -2318.3 16405 -18723 -18723 -0.00038097 -0.00051431 0.00049527 5.9106e+05 2024-05-08 21:15:33,750 INFO [main.py:798]
{rank 0/64} MD step = 364800 step time: 00:00:00.161403 Performance: 64.918 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 21:15:39,064 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 150.74 -2030 16521 -18551 -18551 -0.00057146 -0.00091434 0.00087624 5.9124e+05 2024-05-08 21:15:54,926 INFO [main.py:798]
{rank 0/64} MD step = 364900 step time: 00:00:00.160011 Performance: 64.922 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 21:16:01,308 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 151.81 -1877.9 16639 -18517 -18517 -0.0010667 -0.00091434 0.00020954 5.9143e+05 2024-05-08 21:16:16,928 INFO [main.py:798]
{rank 0/64} MD step = 365000 step time: 00:00:00.163530 Performance: 64.925 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 21:16:23,050 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 149.52 -2224.7 16388 -18613 -18613 -0.00079052 -0.00075242 0.00045717 5.9157e+05 2024-05-08 21:16:38,887 INFO [main.py:798]
{rank 0/64} MD step = 365100 step time: 00:00:00.162377 Performance: 64.928 ns/day 0.370 hours/ns 3.757 steps/s 2024-05-08 21:16:45,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365100 73020 148.92 -2123.3 16322 -18446 -18446 -0.00060956 -0.00055241 0.00044288 5.9175e+05 2024-05-08 21:17:01,469 INFO [main.py:798]
{rank 0/64} MD step = 365200 step time: 00:00:00.160917 Performance: 64.931 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 21:17:06,243 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 149.88 -2054.5 16428 -18482 -18482 -0.00080005 -0.00040002 0.00068575 5.9195e+05 2024-05-08 21:17:21,944 INFO [main.py:798]
{rank 0/64} MD step = 365300 step time: 00:00:00.154973 Performance: 64.935 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 21:17:27,397 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 148.25 -2124.2 16248 -18373 -18373 -0.00049527 -0.0007429 0.00080005 5.9211e+05 2024-05-08 21:17:43,717 INFO [main.py:798]
{rank 0/64} MD step = 365400 step time: 00:00:00.143318 Performance: 64.938 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 21:17:51,572 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 149.99 -2247.2 16440 -18687 -18687 -0.00045717 -0.00026668 0.00076195 5.9227e+05 2024-05-08 21:18:08,795 INFO [main.py:798]
{rank 0/64} MD step = 365500 step time: 00:00:00.158597 Performance: 64.939 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 21:18:15,495 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 151.91 -1733.2 16650 -18383 -18383 -0.00099053 -0.00045717 0.00063813 5.9247e+05 2024-05-08 21:18:31,071 INFO [main.py:798]
{rank 0/64} MD step = 365600 step time: 00:00:00.156990 Performance: 64.942 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 21:18:37,304 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 148.05 -2467.6 16227 -18695 -18695 -0.00080005 -0.00097148 0.00087624 5.9262e+05 2024-05-08 21:18:52,923 INFO [main.py:798]
{rank 0/64} MD step = 365700 step time: 00:00:00.141558 Performance: 64.945 ns/day 0.370 hours/ns 3.758 steps/s 2024-05-08 21:18:59,404 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 150.16 -2097 16458 -18555 -18555 -0.00034288 -0.00063813 0.00053336 5.9282e+05 2024-05-08 21:19:15,266 INFO [main.py:798]
{rank 0/64} MD step = 365800 step time: 00:00:00.149923 Performance: 64.948 ns/day 0.370 hours/ns 3.759 steps/s 2024-05-08 21:19:21,406 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 149.65 -2126.5 16401 -18528 -18528 -0.00077147 -0.00057622 0.00032383 5.9296e+05 2024-05-08 21:19:37,567 INFO [main.py:798]
{rank 0/64} MD step = 365900 step time: 00:00:00.147977 Performance: 64.951 ns/day 0.370 hours/ns 3.759 steps/s 2024-05-08 21:19:46,520 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 150.45 -2054.7 16489 -18544 -18544 -0.00019049 -0.00045717 0.00068575 5.9308e+05 2024-05-08 21:20:02,305 INFO [main.py:798]
{rank 0/64} MD step = 366000 step time: 00:00:00.153475 Performance: 64.952 ns/day 0.370 hours/ns 3.759 steps/s 2024-05-08 21:20:08,154 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 151.2 -1839.7 16572 -18411 -18411 -0.00080005 -0.00045717 0.00083814 5.9328e+05 2024-05-08 21:20:24,351 INFO [main.py:798]
{rank 0/64} MD step = 366100 step time: 00:00:00.151610 Performance: 64.955 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 21:20:28,436 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 154 -1625.1 16879 -18504 -18504 -0.000781 -0.00089529 0.00034288 5.9345e+05 2024-05-08 21:20:46,980 INFO [main.py:798]
{rank 0/64} MD step = 366200 step time: 00:00:00.158229 Performance: 64.958 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 21:20:53,154 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 148.51 -2165.1 16277 -18442 -18442 -0.00085719 -0.0004286 0.00068575 5.9356e+05 2024-05-08 21:21:09,275 INFO [main.py:798]
{rank 0/64} MD step = 366300 step time: 00:00:00.143614 Performance: 64.961 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 21:21:17,035 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 153 -1769.1 16768 -18538 -18538 -0.00055241 -0.00046669 0.00053336 5.9369e+05 2024-05-08 21:21:33,916 INFO [main.py:798]
{rank 0/64} MD step = 366400 step time: 00:00:00.144373 Performance: 64.962 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 21:21:41,412 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 147.61 -2331.5 16178 -18509 -18509 -0.00045717 -0.00075242 0.00040002 5.9386e+05 2024-05-08 21:21:57,780 INFO [main.py:798]
{rank 0/64} MD step = 366500 step time: 00:00:00.140336 Performance: 64.964 ns/day 0.369 hours/ns 3.759 steps/s 2024-05-08 21:22:03,913 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 150.92 -1881.5 16541 -18423 -18423 -0.00057146 -0.0003143 0.000781 5.9401e+05 2024-05-08 21:22:19,965 INFO [main.py:798]
{rank 0/64} MD step = 366600 step time: 00:00:00.144483 Performance: 64.967 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 21:22:25,145 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 148.83 -2204.4 16312 -18517 -18517 -0.00060956 -0.00038097 0.00050479 5.9415e+05 2024-05-08 21:22:40,918 INFO [main.py:798]
{rank 0/64} MD step = 366700 step time: 00:00:00.147971 Performance: 64.971 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 21:22:46,502 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 152.48 -1759.4 16712 -18471 -18471 -0.00093339 -0.00057146 0.00062861 5.9433e+05 2024-05-08 21:23:02,526 INFO [main.py:798]
{rank 0/64} MD step = 366800 step time: 00:00:00.152224 Performance: 64.974 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 21:23:07,781 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 147.75 -2197.8 16194 -18391 -18391 -0.00034288 -0.00046669 0.00092386 5.945e+05 2024-05-08 21:23:23,961 INFO [main.py:798]
{rank 0/64} MD step = 366900 step time: 00:00:00.159067 Performance: 64.977 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 21:23:29,589 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 151.03 -1753.6 16553 -18307 -18307 -0.00072385 -0.00083814 0.00072385 5.9467e+05 2024-05-08 21:23:45,453 INFO [main.py:798]
{rank 0/64} MD step = 367000 step time: 00:00:00.154543 Performance: 64.981 ns/day 0.369 hours/ns 3.760 steps/s 2024-05-08 21:23:52,612 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 150.05 -2114.3 16446 -18560 -18560 -0.00072385 -0.00047622 0.00057146 5.9483e+05 2024-05-08 21:24:09,015 INFO [main.py:798]
{rank 0/64} MD step = 367100 step time: 00:00:00.156915 Performance: 64.983 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 21:24:15,084 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 149.51 -2105.7 16386 -18492 -18492 -0.00072385 -0.00036193 0.00080957 5.9504e+05 2024-05-08 21:24:31,673 INFO [main.py:798]
{rank 0/64} MD step = 367200 step time: 00:00:00.160583 Performance: 64.985 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 21:24:39,184 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 149.74 -1883.5 16412 -18296 -18296 -0.00068575 -0.00064766 0.00072385 5.9524e+05 2024-05-08 21:24:56,998 INFO [main.py:798]
{rank 0/64} MD step = 367300 step time: 00:00:00.167401 Performance: 64.986 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 21:25:03,136 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 148.59 -2124.2 16286 -18410 -18410 -0.00048574 -0.00095243 0.00080005 5.9536e+05 2024-05-08 21:25:19,461 INFO [main.py:798]
{rank 0/64} MD step = 367400 step time: 00:00:00.162235 Performance: 64.989 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 21:25:26,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367400 73480 148.98 -1971.4 16329 -18300 -18300 -0.00059051 -0.00097148 0.0006667 5.9556e+05 2024-05-08 21:25:42,716 INFO [main.py:798]
{rank 0/64} MD step = 367500 step time: 00:00:00.159846 Performance: 64.991 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 21:25:48,010 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 145.41 -2512.9 15937 -18450 -18450 -0.00043812 -0.00087624 0.00068575 5.9568e+05 2024-05-08 21:26:03,724 INFO [main.py:798]
{rank 0/64} MD step = 367600 step time: 00:00:00.161972 Performance: 64.995 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 21:26:10,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367600 73520 151.19 -1683.1 16571 -18254 -18254 -0.00059051 -0.00085719 0.00034288 5.9587e+05 2024-05-08 21:26:26,626 INFO [main.py:798]
{rank 0/64} MD step = 367700 step time: 00:00:00.154339 Performance: 64.997 ns/day 0.369 hours/ns 3.761 steps/s 2024-05-08 21:26:35,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367700 73540 152.1 -1830.8 16670 -18501 -18501 -0.00091434 -0.00091434 0.00026668 5.9597e+05 2024-05-08 21:26:50,759 INFO [main.py:798]
{rank 0/64} MD step = 367800 step time: 00:00:00.153279 Performance: 64.999 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:26:58,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367800 73560 151.19 -1897.5 16570 -18468 -18468 -0.00072861 -0.00060956 0.00056194 5.9617e+05 2024-05-08 21:27:14,106 INFO [main.py:798]
{rank 0/64} MD step = 367900 step time: 00:00:00.174742 Performance: 65.001 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:27:20,227 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 151.07 -1743.1 16557 -18300 -18300 -0.00059051 -0.00072385 0.00032383 5.963e+05 2024-05-08 21:27:35,583 INFO [main.py:798]
{rank 0/64} MD step = 368000 step time: 00:00:00.169027 Performance: 65.004 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:27:41,961 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 150.01 -1962.8 16441 -18404 -18404 -0.00081909 -0.00094767 0.00057146 5.9646e+05 2024-05-08 21:27:57,562 INFO [main.py:798]
{rank 0/64} MD step = 368100 step time: 00:00:00.162615 Performance: 65.008 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:28:03,542 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 147.74 -2103.3 16192 -18295 -18295 -0.00046669 -0.000781 0.00087624 5.9656e+05 2024-05-08 21:28:19,162 INFO [main.py:798]
{rank 0/64} MD step = 368200 step time: 00:00:00.159374 Performance: 65.011 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:28:26,041 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 150.6 -1644.4 16505 -18150 -18150 -0.00053336 -0.00072385 0.00064766 5.9674e+05 2024-05-08 21:28:40,945 INFO [main.py:798]
{rank 0/64} MD step = 368300 step time: 00:00:00.133319 Performance: 65.014 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:28:59,349 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 150.16 -2103 16457 -18560 -18560 -0.00053336 -0.00083814 0.00060956 5.9685e+05 2024-05-08 21:29:14,415 INFO [main.py:798]
{rank 0/64} MD step = 368400 step time: 00:00:00.151865 Performance: 65.009 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:29:26,726 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 147.69 -2163.2 16187 -18351 -18351 -0.00079052 -0.00080005 -4.7622e-05 5.9706e+05 2024-05-08 21:29:42,448 INFO [main.py:798]
{rank 0/64} MD step = 368500 step time: 00:00:00.167230 Performance: 65.008 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:29:48,214 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 151.47 -1959.1 16601 -18560 -18560 -0.00057146 -0.00053336 0.00044764 5.9726e+05 2024-05-08 21:30:03,203 INFO [main.py:798]
{rank 0/64} MD step = 368600 step time: 00:00:00.148552 Performance: 65.012 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:30:10,502 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 148.4 -2014.4 16265 -18279 -18279 -0.00072385 -0.00045717 0.00047622 5.9742e+05 2024-05-08 21:30:26,025 INFO [main.py:798]
{rank 0/64} MD step = 368700 step time: 00:00:00.150590 Performance: 65.015 ns/day 0.369 hours/ns 3.762 steps/s 2024-05-08 21:30:32,754 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 147.45 -2253.4 16161 -18415 -18415 -0.00072385 -0.00081909 0.00072385 5.9758e+05 2024-05-08 21:30:48,040 INFO [main.py:798]
{rank 0/64} MD step = 368800 step time: 00:00:00.137648 Performance: 65.018 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:30:56,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368800 73760 149.83 -1838.3 16422 -18260 -18260 -0.00038097 -0.00038097 0.00060956 5.9775e+05 2024-05-08 21:31:12,260 INFO [main.py:798]
{rank 0/64} MD step = 368900 step time: 00:00:00.145172 Performance: 65.019 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:31:22,398 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 150.61 -1805.5 16507 -18313 -18313 -0.00057146 -0.00068575 0.00058099 5.9787e+05 2024-05-08 21:31:39,780 INFO [main.py:798]
{rank 0/64} MD step = 369000 step time: 00:00:00.156778 Performance: 65.019 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:31:46,145 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 151.09 -1883.6 16559 -18443 -18443 -0.00026668 -0.00045717 0.00060956 5.9804e+05 2024-05-08 21:32:02,271 INFO [main.py:798]
{rank 0/64} MD step = 369100 step time: 00:00:00.158333 Performance: 65.022 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:32:10,310 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 148.23 -2169.5 16246 -18415 -18415 -0.00051431 -0.00069528 0.00047622 5.9821e+05 2024-05-08 21:32:26,048 INFO [main.py:798]
{rank 0/64} MD step = 369200 step time: 00:00:00.153334 Performance: 65.023 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:32:32,939 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 149.8 -2159.4 16418 -18578 -18578 -0.00060956 -0.00038097 0.00076195 5.9834e+05 2024-05-08 21:32:49,026 INFO [main.py:798]
{rank 0/64} MD step = 369300 step time: 00:00:00.159874 Performance: 65.026 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:32:56,797 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 149.55 -2018.6 16390 -18409 -18409 -0.00043812 -0.00085719 0.00072385 5.9855e+05 2024-05-08 21:33:11,738 INFO [main.py:798]
{rank 0/64} MD step = 369400 step time: 00:00:00.136337 Performance: 65.028 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:33:39,779 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 150.31 -1801.5 16474 -18276 -18276 -0.00099053 -0.0010286 0.0006048 5.9877e+05 2024-05-08 21:33:55,275 INFO [main.py:798]
{rank 0/64} MD step = 369500 step time: 00:00:00.164058 Performance: 65.017 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:34:04,896 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 148.12 -2262.3 16234 -18496 -18496 -0.00057146 -0.00038097 0.00083814 5.9886e+05 2024-05-08 21:34:20,068 INFO [main.py:798]
{rank 0/64} MD step = 369600 step time: 00:00:00.148569 Performance: 65.018 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:34:27,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369600 73920 146.59 -2317.1 16067 -18384 -18384 -0.00053336 -0.00045717 0.0010286 5.9904e+05 2024-05-08 21:34:44,986 INFO [main.py:798]
{rank 0/64} MD step = 369700 step time: 00:00:00.167972 Performance: 65.019 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:34:52,756 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 152.16 -1600.7 16677 -18277 -18277 -0.00087624 -0.00062861 0.00068575 5.9921e+05 2024-05-08 21:35:09,041 INFO [main.py:798]
{rank 0/64} MD step = 369800 step time: 00:00:00.145510 Performance: 65.021 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:35:15,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369800 73960 150.08 -2011 16448 -18459 -18459 -0.00047622 -0.00068575 0.00050479 5.9934e+05 2024-05-08 21:35:31,398 INFO [main.py:798]
{rank 0/64} MD step = 369900 step time: 00:00:00.163427 Performance: 65.024 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:35:35,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369900 73980 149.97 -2039.6 16437 -18477 -18477 -0.00057146 -0.00022382 0.00083814 5.9956e+05 2024-05-08 21:35:52,874 INFO [main.py:798]
{rank 0/64} MD step = 370000 step time: 00:00:00.155735 Performance: 65.027 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:35:58,836 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 148.35 -2462.8 16260 -18723 -18723 -0.00045717 -0.00053336 0.00080957 5.9969e+05 2024-05-08 21:36:14,826 INFO [main.py:798]
{rank 0/64} MD step = 370100 step time: 00:00:00.150241 Performance: 65.030 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:36:19,694 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 151.83 -2044.6 16640 -18685 -18685 -0.00057146 -0.00083814 0.00083814 5.9978e+05 2024-05-08 21:36:37,462 INFO [main.py:798]
{rank 0/64} MD step = 370200 step time: 00:00:00.153637 Performance: 65.033 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:36:44,063 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 147.57 -2133.9 16174 -18308 -18308 -0.00055241 -0.0007429 0.00083814 6e+05 2024-05-08 21:37:00,359 INFO [main.py:798]
{rank 0/64} MD step = 370300 step time: 00:00:00.145741 Performance: 65.035 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:37:07,441 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 149.97 -2094.3 16437 -18531 -18531 -0.00087624 -0.00036193 0.00076195 6.0015e+05 2024-05-08 21:37:26,191 INFO [main.py:798]
{rank 0/64} MD step = 370400 step time: 00:00:00.177291 Performance: 65.036 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:37:37,984 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 148.92 -2234.4 16322 -18557 -18557 -0.0003524 -0.00072385 0.00053336 6.0031e+05 2024-05-08 21:37:54,523 INFO [main.py:798]
{rank 0/64} MD step = 370500 step time: 00:00:00.163151 Performance: 65.035 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:38:00,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370500 74100 150.89 -1979.3 16537 -18517 -18517 -0.00040955 -0.00091434 0.00030478 6.005e+05 2024-05-08 21:38:19,571 INFO [main.py:798]
{rank 0/64} MD step = 370600 step time: 00:00:00.165496 Performance: 65.036 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:38:25,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370600 74120 149.81 -2115.2 16419 -18534 -18534 -0.00057146 -0.00080005 0.00043812 6.0067e+05 2024-05-08 21:38:41,710 INFO [main.py:798]
{rank 0/64} MD step = 370700 step time: 00:00:00.160825 Performance: 65.039 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:38:47,323 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 150.65 -1894.3 16511 -18405 -18405 -0.00053336 -0.00038097 0.00057146 6.0083e+05 2024-05-08 21:39:04,332 INFO [main.py:798]
{rank 0/64} MD step = 370800 step time: 00:00:00.162146 Performance: 65.041 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:39:28,555 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 152.36 -1828.3 16699 -18528 -18528 -0.00080957 -0.00076195 0.00045717 6.0094e+05 2024-05-08 21:39:44,767 INFO [main.py:798]
{rank 0/64} MD step = 370900 step time: 00:00:00.165387 Performance: 65.032 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:39:56,854 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 151.07 -1953.2 16557 -18510 -18510 -0.00072385 -0.00069528 0.00087624 6.0113e+05 2024-05-08 21:40:10,179 INFO [main.py:798]
{rank 0/64} MD step = 371000 step time: 00:00:00.145040 Performance: 65.033 ns/day 0.369 hours/ns 3.763 steps/s 2024-05-08 21:40:17,739 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 150.89 -1944.7 16538 -18482 -18482 -0.00057146 -0.00085719 0.00064766 6.0134e+05 2024-05-08 21:40:33,816 INFO [main.py:798]
{rank 0/64} MD step = 371100 step time: 00:00:00.147744 Performance: 65.035 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:40:41,069 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 149.18 -2019.9 16351 -18370 -18370 -0.00053336 -0.00041907 0.00075242 6.0147e+05 2024-05-08 21:40:57,160 INFO [main.py:798]
{rank 0/64} MD step = 371200 step time: 00:00:00.155011 Performance: 65.037 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:41:02,682 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 151.1 -1770.3 16561 -18331 -18331 -0.00064766 -0.00080005 0.00085719 6.0165e+05 2024-05-08 21:41:18,452 INFO [main.py:798]
{rank 0/64} MD step = 371300 step time: 00:00:00.143213 Performance: 65.040 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:41:26,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371300 74260 148.4 -2044.7 16265 -18309 -18309 -0.00081909 -0.00060956 0.00047622 6.0176e+05 2024-05-08 21:41:48,240 INFO [main.py:798]
{rank 0/64} MD step = 371400 step time: 00:00:00.151858 Performance: 65.038 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:41:56,659 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 149.69 -1961.6 16406 -18367 -18367 -0.0007429 -0.00049527 0.00091434 6.0196e+05 2024-05-08 21:42:12,504 INFO [main.py:798]
{rank 0/64} MD step = 371500 step time: 00:00:00.153971 Performance: 65.040 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:42:19,418 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 150.56 -2055.4 16501 -18557 -18557 -0.00043812 -0.00060956 0.00080005 6.0208e+05 2024-05-08 21:42:35,178 INFO [main.py:798]
{rank 0/64} MD step = 371600 step time: 00:00:00.157486 Performance: 65.042 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:42:41,312 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 149.66 -2017.3 16403 -18420 -18420 -0.00072385 -0.00057146 0.00091434 6.0228e+05 2024-05-08 21:42:58,686 INFO [main.py:798]
{rank 0/64} MD step = 371700 step time: 00:00:00.151655 Performance: 65.044 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:43:05,606 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 148.66 -2113.9 16293 -18407 -18407 -0.00045717 -0.00047622 0.00062861 6.0241e+05 2024-05-08 21:43:20,962 INFO [main.py:798]
{rank 0/64} MD step = 371800 step time: 00:00:00.155416 Performance: 65.047 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:43:28,318 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 148.13 -2258 16236 -18494 -18494 -0.0003143 -0.00045717 0.00053336 6.0258e+05 2024-05-08 21:43:43,898 INFO [main.py:798]
{rank 0/64} MD step = 371900 step time: 00:00:00.154675 Performance: 65.049 ns/day 0.369 hours/ns 3.764 steps/s 2024-05-08 21:43:50,036 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 150.56 -1749.6 16502 -18251 -18251 -0.00091434 -0.000781 0.00045717 6.0281e+05 2024-05-08 21:44:05,479 INFO [main.py:798]
{rank 0/64} MD step = 372000 step time: 00:00:00.152811 Performance: 65.053 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 21:44:12,172 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 145.58 -2512.5 15955 -18468 -18468 -0.0007048 -0.00064766 0.00062861 6.0296e+05 2024-05-08 21:44:27,884 INFO [main.py:798]
{rank 0/64} MD step = 372100 step time: 00:00:00.149806 Performance: 65.055 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 21:44:34,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372100 74420 149.73 -2150.5 16411 -18562 -18562 -0.00072385 -0.00028573 0.00045717 6.0313e+05 2024-05-08 21:44:49,813 INFO [main.py:798]
{rank 0/64} MD step = 372200 step time: 00:00:00.156906 Performance: 65.059 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 21:44:56,678 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 149.15 -1978.4 16347 -18326 -18326 -0.00053336 -0.00045717 0.00068575 6.0326e+05 2024-05-08 21:45:12,885 INFO [main.py:798]
{rank 0/64} MD step = 372300 step time: 00:00:00.155467 Performance: 65.061 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 21:45:18,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372300 74460 149.39 -2101 16373 -18474 -18474 -0.00067623 -0.00072385 0.00034288 6.0338e+05 2024-05-08 21:45:34,795 INFO [main.py:798]
{rank 0/64} MD step = 372400 step time: 00:00:00.157005 Performance: 65.064 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 21:45:40,356 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 150.06 -1966.1 16447 -18413 -18413 -0.00099053 -0.00081909 0.00083814 6.0359e+05 2024-05-08 21:45:56,585 INFO [main.py:798]
{rank 0/64} MD step = 372500 step time: 00:00:00.158862 Performance: 65.067 ns/day 0.369 hours/ns 3.765 steps/s 2024-05-08 21:46:02,265 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 149.38 -2215.7 16373 -18588 -18588 -0.0003143 -0.00041907 0.00053336 6.0372e+05 2024-05-08 21:46:18,241 INFO [main.py:798]
{rank 0/64} MD step = 372600 step time: 00:00:00.158296 Performance: 65.070 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 21:46:24,923 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 149.36 -2252.2 16370 -18622 -18622 -0.00043812 -0.00083814 0.00096196 6.039e+05 2024-05-08 21:46:41,064 INFO [main.py:798]
{rank 0/64} MD step = 372700 step time: 00:00:00.155618 Performance: 65.073 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 21:46:46,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372700 74540 150.16 -1935.3 16457 -18393 -18393 -0.00057146 -0.00076195 0.00056194 6.0407e+05 2024-05-08 21:47:04,484 INFO [main.py:798]
{rank 0/64} MD step = 372800 step time: 00:00:00.158033 Performance: 65.075 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 21:47:13,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372800 74560 150.64 -2243.8 16511 -18754 -18754 -0.00055241 -0.00087624 0.00059051 6.0423e+05 2024-05-08 21:47:29,358 INFO [main.py:798]
{rank 0/64} MD step = 372900 step time: 00:00:00.168093 Performance: 65.076 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 21:47:35,247 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 150.89 -1991.7 16538 -18529 -18529 -0.0006667 -0.00034288 0.00051431 6.0435e+05 2024-05-08 21:47:51,006 INFO [main.py:798]
{rank 0/64} MD step = 373000 step time: 00:00:00.159575 Performance: 65.079 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 21:48:00,759 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 151.94 -1843.4 16653 -18497 -18497 -0.00040002 -0.00038097 0.0006667 6.0448e+05 2024-05-08 21:48:17,173 INFO [main.py:798]
{rank 0/64} MD step = 373100 step time: 00:00:00.157874 Performance: 65.079 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 21:48:23,470 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 150.16 -1931.9 16458 -18390 -18390 -0.00040955 -0.00091434 0.00069528 6.0461e+05 2024-05-08 21:48:38,819 INFO [main.py:798]
{rank 0/64} MD step = 373200 step time: 00:00:00.156631 Performance: 65.083 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 21:48:44,118 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 150.33 -1971.1 16476 -18448 -18448 -0.00026668 -0.00064766 0.00060956 6.0475e+05 2024-05-08 21:48:59,828 INFO [main.py:798]
{rank 0/64} MD step = 373300 step time: 00:00:00.162238 Performance: 65.086 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:49:07,158 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 149.5 -2191.1 16385 -18576 -18576 -0.00045717 -0.00091434 0.00033335 6.049e+05 2024-05-08 21:49:22,962 INFO [main.py:798]
{rank 0/64} MD step = 373400 step time: 00:00:00.156560 Performance: 65.088 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:49:40,161 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 150.51 -1707.9 16497 -18204 -18204 -0.00045717 -0.00041907 0.00043812 6.0509e+05 2024-05-08 21:49:55,771 INFO [main.py:798]
{rank 0/64} MD step = 373500 step time: 00:00:00.153863 Performance: 65.084 ns/day 0.369 hours/ns 3.766 steps/s 2024-05-08 21:50:01,888 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 149.76 -1984.4 16413 -18398 -18398 -0.00047622 -0.00089529 0.00072385 6.0521e+05 2024-05-08 21:50:18,437 INFO [main.py:798]
{rank 0/64} MD step = 373600 step time: 00:00:00.151332 Performance: 65.087 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:50:26,991 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 147.31 -2185 16145 -18330 -18330 -0.00062861 -0.00076195 0.00072385 6.0537e+05 2024-05-08 21:50:43,314 INFO [main.py:798]
{rank 0/64} MD step = 373700 step time: 00:00:00.140305 Performance: 65.088 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:50:49,571 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 149.47 -1783.3 16383 -18166 -18166 -0.00050479 -0.00045717 0.00060956 6.0555e+05 2024-05-08 21:51:05,501 INFO [main.py:798]
{rank 0/64} MD step = 373800 step time: 00:00:00.144051 Performance: 65.091 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:51:12,263 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 149.99 -1883.8 16439 -18322 -18322 -0.00044764 -0.00063813 0.00072385 6.0571e+05 2024-05-08 21:51:28,299 INFO [main.py:798]
{rank 0/64} MD step = 373900 step time: 00:00:00.145483 Performance: 65.093 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:51:33,372 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 149.94 -1891.2 16433 -18324 -18324 -0.00032383 -0.00041907 0.00049527 6.0587e+05 2024-05-08 21:51:51,012 INFO [main.py:798]
{rank 0/64} MD step = 374000 step time: 00:00:00.143591 Performance: 65.096 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:51:57,368 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 150.04 -1986.3 16444 -18431 -18431 -0.00080005 -0.00034288 0.00082862 6.0603e+05 2024-05-08 21:52:13,565 INFO [main.py:798]
{rank 0/64} MD step = 374100 step time: 00:00:00.149045 Performance: 65.098 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:52:17,871 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 149.73 -1914.3 16410 -18324 -18324 -0.00068575 -0.00043812 0.00036193 6.0621e+05 2024-05-08 21:52:34,873 INFO [main.py:798]
{rank 0/64} MD step = 374200 step time: 00:00:00.138454 Performance: 65.102 ns/day 0.369 hours/ns 3.767 steps/s 2024-05-08 21:52:40,711 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 148.93 -2147.6 16323 -18471 -18471 -0.00062861 -0.00068575 0.0006667 6.0636e+05 2024-05-08 21:52:56,979 INFO [main.py:798]
{rank 0/64} MD step = 374300 step time: 00:00:00.154193 Performance: 65.105 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 21:53:02,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374300 74860 149.79 -2050.3 16417 -18468 -18468 -0.00045717 -0.00068575 0.00084767 6.0655e+05 2024-05-08 21:53:18,174 INFO [main.py:798]
{rank 0/64} MD step = 374400 step time: 00:00:00.160423 Performance: 65.108 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 21:53:24,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374400 74880 150.61 -1992.4 16507 -18500 -18500 -0.00033335 -0.00061908 0.00052384 6.0675e+05 2024-05-08 21:53:40,443 INFO [main.py:798]
{rank 0/64} MD step = 374500 step time: 00:00:00.147274 Performance: 65.111 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 21:53:46,265 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 149.47 -2116.6 16382 -18498 -18498 -0.00058099 -0.00080005 0.00068575 6.0692e+05 2024-05-08 21:54:02,345 INFO [main.py:798]
{rank 0/64} MD step = 374600 step time: 00:00:00.149342 Performance: 65.114 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 21:54:09,112 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 151.22 -1908.2 16574 -18482 -18482 -0.00098101 -0.00049527 0.00057146 6.0709e+05 2024-05-08 21:54:25,625 INFO [main.py:798]
{rank 0/64} MD step = 374700 step time: 00:00:00.151271 Performance: 65.116 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 21:54:33,216 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 147.71 -2084.3 16189 -18274 -18274 -0.00096434 -0.00038097 0.00080957 6.0727e+05 2024-05-08 21:54:49,711 INFO [main.py:798]
{rank 0/64} MD step = 374800 step time: 00:00:00.158069 Performance: 65.118 ns/day 0.369 hours/ns 3.768 steps/s 2024-05-08 21:54:56,480 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 150.48 -1799 16493 -18292 -18292 -0.00060956 -0.00053336 0.00057146 6.0743e+05 2024-05-08 21:55:12,954 INFO [main.py:798]
{rank 0/64} MD step = 374900 step time: 00:00:00.161246 Performance: 65.120 ns/day 0.369 hours/ns 3.769 steps/s 2024-05-08 21:55:19,568 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 149.99 -2027 16439 -18466 -18466 -0.00091434 -0.00062861 0.00044764 6.0757e+05 2024-05-08 21:55:35,527 INFO [main.py:798]
{rank 0/64} MD step = 375000 step time: 00:00:00.159274 Performance: 65.123 ns/day 0.369 hours/ns 3.769 steps/s 2024-05-08 21:55:41,480 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 148.4 -2114.4 16265 -18379 -18379 -0.00075242 -0.00062861 0.00089529 6.0779e+05 2024-05-08 21:55:57,479 INFO [main.py:798]
{rank 0/64} MD step = 375100 step time: 00:00:00.155437 Performance: 65.126 ns/day 0.369 hours/ns 3.769 steps/s 2024-05-08 21:56:03,158 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 149.6 -2044.9 16397 -18442 -18442 -0.00053336 -0.00057146 0.00055241 6.079e+05 2024-05-08 21:56:19,379 INFO [main.py:798]
{rank 0/64} MD step = 375200 step time: 00:00:00.153141 Performance: 65.129 ns/day 0.369 hours/ns 3.769 steps/s 2024-05-08 21:56:26,025 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 151.33 -1778.3 16586 -18365 -18365 -0.00072385 -0.00053813 0.00045717 6.0806e+05 2024-05-08 21:56:42,065 INFO [main.py:798]
{rank 0/64} MD step = 375300 step time: 00:00:00.152185 Performance: 65.131 ns/day 0.368 hours/ns 3.769 steps/s 2024-05-08 21:56:47,577 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 151.21 -2205.5 16573 -18778 -18778 -0.00055241 -0.00060003 0.0003524 6.0817e+05 2024-05-08 21:57:03,122 INFO [main.py:798]
{rank 0/64} MD step = 375400 step time: 00:00:00.158472 Performance: 65.135 ns/day 0.368 hours/ns 3.769 steps/s 2024-05-08 21:57:08,048 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 150.32 -2271.7 16475 -18747 -18747 -0.0010667 -0.00076195 0.0006667 6.0838e+05 2024-05-08 21:57:23,726 INFO [main.py:798]
{rank 0/64} MD step = 375500 step time: 00:00:00.157701 Performance: 65.139 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 21:57:31,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375500 75100 154.38 -1661.8 16920 -18582 -18582 -0.00072385 -0.0007429 0.00064766 6.085e+05 2024-05-08 21:57:47,744 INFO [main.py:798]
{rank 0/64} MD step = 375600 step time: 00:00:00.165317 Performance: 65.140 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 21:57:54,692 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 149.46 -1962 16381 -18343 -18343 -0.00055241 -0.00077147 0.00081909 6.0872e+05 2024-05-08 21:58:10,057 INFO [main.py:798]
{rank 0/64} MD step = 375700 step time: 00:00:00.159485 Performance: 65.143 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 21:58:19,998 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 151.27 -1874.2 16579 -18453 -18453 -0.00067147 -0.00051431 0.00080957 6.0884e+05 2024-05-08 21:58:35,899 INFO [main.py:798]
{rank 0/64} MD step = 375800 step time: 00:00:00.161298 Performance: 65.143 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 21:58:43,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375800 75160 147.58 -2187.5 16175 -18362 -18362 -0.00076195 -0.00068575 0.00027621 6.0902e+05 2024-05-08 21:59:00,029 INFO [main.py:798]
{rank 0/64} MD step = 375900 step time: 00:00:00.165795 Performance: 65.145 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 21:59:08,268 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 150.31 -1910 16474 -18384 -18384 -0.00053336 -0.0006667 0.00037145 6.0916e+05 2024-05-08 21:59:24,331 INFO [main.py:798]
{rank 0/64} MD step = 376000 step time: 00:00:00.159112 Performance: 65.146 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 21:59:31,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376000 75200 151.77 -1827.5 16634 -18462 -18462 -0.00060003 -0.0010096 0.00049527 6.0933e+05 2024-05-08 21:59:47,998 INFO [main.py:798]
{rank 0/64} MD step = 376100 step time: 00:00:00.156940 Performance: 65.148 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 21:59:56,937 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 153.4 -1659 16813 -18472 -18472 -0.00080005 -0.00068575 0.00080005 6.095e+05 2024-05-08 22:00:12,877 INFO [main.py:798]
{rank 0/64} MD step = 376200 step time: 00:00:00.159498 Performance: 65.149 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 22:00:19,741 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 148.18 -2240.5 16240 -18481 -18481 -0.00053336 -0.00076195 0.00087624 6.0967e+05 2024-05-08 22:00:35,814 INFO [main.py:798]
{rank 0/64} MD step = 376300 step time: 00:00:00.159396 Performance: 65.152 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 22:00:42,438 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 148.24 -2257.5 16248 -18505 -18505 -0.0007048 -0.00073337 0.00060956 6.0982e+05 2024-05-08 22:00:57,944 INFO [main.py:798]
{rank 0/64} MD step = 376400 step time: 00:00:00.154171 Performance: 65.155 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:01:11,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376400 75280 150.83 -1813.6 16531 -18344 -18344 -0.00085719 -0.00060956 0.00072385 6.0999e+05 2024-05-08 22:01:27,225 INFO [main.py:798]
{rank 0/64} MD step = 376500 step time: 00:00:00.153605 Performance: 65.153 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 22:01:36,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376500 75300 148.79 -2098.7 16307 -18406 -18406 -0.00072385 -0.00088576 0.00083814 6.102e+05 2024-05-08 22:01:52,079 INFO [main.py:798]
{rank 0/64} MD step = 376600 step time: 00:00:00.145384 Performance: 65.154 ns/day 0.368 hours/ns 3.770 steps/s 2024-05-08 22:01:59,947 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 149.23 -2055 16356 -18411 -18411 -0.00057146 -0.00034288 0.00059051 6.1038e+05 2024-05-08 22:02:16,208 INFO [main.py:798]
{rank 0/64} MD step = 376700 step time: 00:00:00.187062 Performance: 65.155 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:02:24,230 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 149.55 -1764.8 16391 -18156 -18156 -0.000781 -0.00091434 0.00049527 6.1056e+05 2024-05-08 22:02:40,052 INFO [main.py:798]
{rank 0/64} MD step = 376800 step time: 00:00:00.155478 Performance: 65.157 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:02:46,015 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 150.26 -1862.1 16469 -18331 -18331 -0.00085719 -0.00051431 0.00045717 6.1069e+05 2024-05-08 22:03:02,183 INFO [main.py:798]
{rank 0/64} MD step = 376900 step time: 00:00:00.158932 Performance: 65.160 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:03:09,865 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 150.63 -1767.5 16509 -18277 -18277 -0.00064766 -0.00036193 0.00030478 6.1088e+05 2024-05-08 22:03:28,455 INFO [main.py:798]
{rank 0/64} MD step = 377000 step time: 00:00:00.170146 Performance: 65.160 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:03:34,197 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 147.67 -2084.1 16185 -18269 -18269 -0.00091434 -0.00060956 0.00087624 6.1108e+05 2024-05-08 22:03:50,481 INFO [main.py:798]
{rank 0/64} MD step = 377100 step time: 00:00:00.171452 Performance: 65.163 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:03:57,052 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 149.01 -2214 16332 -18546 -18546 -0.00095243 -0.00045717 0.00043812 6.1122e+05 2024-05-08 22:04:12,638 INFO [main.py:798]
{rank 0/64} MD step = 377200 step time: 00:00:00.168666 Performance: 65.166 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:04:21,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377200 75440 148.59 -2162.6 16285 -18448 -18448 -0.00026668 -0.0007429 0.00085719 6.1141e+05 2024-05-08 22:04:37,155 INFO [main.py:798]
{rank 0/64} MD step = 377300 step time: 00:00:00.162730 Performance: 65.167 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:04:44,725 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 151.47 -1935 16601 -18536 -18536 -0.00062861 -0.00057146 -0.00053336 6.1156e+05 2024-05-08 22:05:00,472 INFO [main.py:798]
{rank 0/64} MD step = 377400 step time: 00:00:00.166728 Performance: 65.169 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:05:07,488 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 147.88 -2305.4 16208 -18513 -18513 -0.00041907 -0.00068575 0.00053336 6.1171e+05 2024-05-08 22:05:27,171 INFO [main.py:798]
{rank 0/64} MD step = 377500 step time: 00:00:00.158083 Performance: 65.169 ns/day 0.368 hours/ns 3.771 steps/s 2024-05-08 22:05:32,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377500 75500 149.64 -2116.2 16401 -18517 -18517 -0.00083814 -0.00072385 0.00072385 6.1188e+05 2024-05-08 22:05:48,661 INFO [main.py:798]
{rank 0/64} MD step = 377600 step time: 00:00:00.146526 Performance: 65.173 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:05:54,790 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 149.62 -1873.8 16398 -18272 -18272 -0.00057146 -0.00038097 0.00047622 6.1207e+05 2024-05-08 22:06:11,850 INFO [main.py:798]
{rank 0/64} MD step = 377700 step time: 00:00:00.163672 Performance: 65.175 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:06:23,402 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 150.17 -1948.4 16459 -18408 -18408 -0.0010096 -0.00060956 0.00095243 6.1225e+05 2024-05-08 22:06:39,322 INFO [main.py:798]
{rank 0/64} MD step = 377800 step time: 00:00:00.143966 Performance: 65.174 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:06:46,704 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 150.16 -1917.4 16457 -18375 -18375 -0.00083814 -0.0007429 0.00095243 6.1243e+05 2024-05-08 22:07:03,014 INFO [main.py:798]
{rank 0/64} MD step = 377900 step time: 00:00:00.148654 Performance: 65.176 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:07:08,385 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 151.09 -1948 16559 -18507 -18507 -0.00030478 -0.00045717 0.00059051 6.1258e+05 2024-05-08 22:07:24,707 INFO [main.py:798]
{rank 0/64} MD step = 378000 step time: 00:00:00.146505 Performance: 65.179 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:07:34,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378000 75600 151.58 -1775.2 16613 -18389 -18389 -0.00087624 -0.00028573 0.00057146 6.1277e+05 2024-05-08 22:07:50,152 INFO [main.py:798]
{rank 0/64} MD step = 378100 step time: 00:00:00.159415 Performance: 65.180 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:07:57,408 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 149.96 -1824.6 16436 -18261 -18261 -0.0006667 -0.0006667 0.00062861 6.1292e+05 2024-05-08 22:08:13,067 INFO [main.py:798]
{rank 0/64} MD step = 378200 step time: 00:00:00.173038 Performance: 65.182 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:08:19,427 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 150.73 -1830.1 16520 -18350 -18350 -0.00026668 -0.00041907 0.00057146 6.1312e+05 2024-05-08 22:08:36,925 INFO [main.py:798]
{rank 0/64} MD step = 378300 step time: 00:00:00.155444 Performance: 65.184 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:08:52,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378300 75660 150.09 -1947.4 16451 -18398 -18398 -0.00045717 -0.00038097 0.00041907 6.1322e+05 2024-05-08 22:09:05,843 INFO [main.py:798]
{rank 0/64} MD step = 378400 step time: 00:00:00.144605 Performance: 65.182 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:09:13,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378400 75680 150.98 -1808.7 16548 -18357 -18357 -0.00043812 -0.00030478 0.00047622 6.1339e+05 2024-05-08 22:09:30,175 INFO [main.py:798]
{rank 0/64} MD step = 378500 step time: 00:00:00.148160 Performance: 65.184 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:09:40,830 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 150.82 -1897 16530 -18427 -18427 -0.00076195 -0.00056194 0.00072385 6.1353e+05 2024-05-08 22:09:56,616 INFO [main.py:798]
{rank 0/64} MD step = 378600 step time: 00:00:00.159907 Performance: 65.184 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:10:03,173 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 151.43 -1817.5 16597 -18415 -18415 -0.00087624 -0.00057146 0.00030478 6.1365e+05 2024-05-08 22:10:18,758 INFO [main.py:798]
{rank 0/64} MD step = 378700 step time: 00:00:00.163368 Performance: 65.187 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:10:26,468 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 149.41 -2105.2 16376 -18481 -18481 -0.00087624 -0.00024763 0.00060956 6.1379e+05 2024-05-08 22:10:42,032 INFO [main.py:798]
{rank 0/64} MD step = 378800 step time: 00:00:00.152587 Performance: 65.189 ns/day 0.368 hours/ns 3.772 steps/s 2024-05-08 22:10:49,302 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 147.98 -2084.7 16218 -18303 -18303 -0.00068575 -0.00085719 0.00066194 6.1399e+05 2024-05-08 22:11:04,681 INFO [main.py:798]
{rank 0/64} MD step = 378900 step time: 00:00:00.162602 Performance: 65.191 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 22:11:11,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378900 75780 150.18 -1856.2 16460 -18317 -18317 -0.00080005 -0.00062861 0.00041907 6.1415e+05 2024-05-08 22:11:27,754 INFO [main.py:798]
{rank 0/64} MD step = 379000 step time: 00:00:00.160214 Performance: 65.193 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 22:11:34,295 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 150.33 -1767.6 16476 -18244 -18244 -0.00060956 -0.00058099 0.00072385 6.143e+05 2024-05-08 22:11:49,468 INFO [main.py:798]
{rank 0/64} MD step = 379100 step time: 00:00:00.163025 Performance: 65.196 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 22:11:54,588 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 149.08 -1940.4 16340 -18280 -18280 -0.00087624 -0.00022858 0.00093339 6.1448e+05 2024-05-08 22:12:11,238 INFO [main.py:798]
{rank 0/64} MD step = 379200 step time: 00:00:00.154164 Performance: 65.200 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 22:12:17,855 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 150.79 -1893.3 16527 -18420 -18420 -0.00019049 -0.0005286 0.00076195 6.1461e+05 2024-05-08 22:12:33,898 INFO [main.py:798]
{rank 0/64} MD step = 379300 step time: 00:00:00.152818 Performance: 65.202 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 22:12:39,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379300 75860 148.55 -2205.2 16281 -18486 -18486 -0.00034288 -0.00083814 0.000781 6.1478e+05 2024-05-08 22:12:55,285 INFO [main.py:798]
{rank 0/64} MD step = 379400 step time: 00:00:00.159253 Performance: 65.205 ns/day 0.368 hours/ns 3.773 steps/s 2024-05-08 22:13:01,102 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 149.89 -1777.3 16429 -18206 -18206 -0.00081909 -0.00083814 -7.6195e-05 6.1492e+05 2024-05-08 22:13:17,250 INFO [main.py:798]
{rank 0/64} MD step = 379500 step time: 00:00:00.161207 Performance: 65.208 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:13:21,951 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 151.04 -1922.8 16554 -18477 -18477 -0.00068575 -0.00034288 0.00067623 6.151e+05 2024-05-08 22:13:38,879 INFO [main.py:798]
{rank 0/64} MD step = 379600 step time: 00:00:00.164387 Performance: 65.211 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:13:44,052 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 150.5 -1854.6 16495 -18350 -18350 -0.00089529 -0.00040002 0.00060003 6.1525e+05 2024-05-08 22:14:00,273 INFO [main.py:798]
{rank 0/64} MD step = 379700 step time: 00:00:00.158183 Performance: 65.215 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:14:04,479 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 150.86 -1903 16535 -18438 -18438 -0.00064766 -0.00047622 0.00057146 6.1542e+05 2024-05-08 22:14:21,912 INFO [main.py:798]
{rank 0/64} MD step = 379800 step time: 00:00:00.157781 Performance: 65.218 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:14:28,282 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 151.8 -1719.6 16638 -18357 -18357 -0.00028573 -0.00060003 0.00059051 6.1556e+05 2024-05-08 22:14:44,476 INFO [main.py:798]
{rank 0/64} MD step = 379900 step time: 00:00:00.158281 Performance: 65.220 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:14:51,773 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 149.52 -1959.4 16388 -18347 -18347 -0.00076195 -0.00041907 0.00080005 6.1576e+05 2024-05-08 22:15:07,405 INFO [main.py:798]
{rank 0/64} MD step = 380000 step time: 00:00:00.155694 Performance: 65.223 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:15:12,752 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 149.98 -1883.7 16438 -18322 -18322 -0.00064766 -0.0007429 0.00073337 6.1591e+05 2024-05-08 22:15:30,131 INFO [main.py:798]
{rank 0/64} MD step = 380100 step time: 00:00:00.148299 Performance: 65.225 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 22:15:47,105 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 149.63 -1925.7 16400 -18325 -18325 -0.00085719 -0.00067623 0.00043812 6.1611e+05 2024-05-08 22:16:02,498 INFO [main.py:798]
{rank 0/64} MD step = 380200 step time: 00:00:00.143558 Performance: 65.221 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:16:10,820 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 148.58 -2081.6 16285 -18366 -18366 -0.00060956 -0.00045717 0.00030478 6.1626e+05 2024-05-08 22:16:30,918 INFO [main.py:798]
{rank 0/64} MD step = 380300 step time: 00:00:00.154188 Performance: 65.220 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:16:38,239 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 147.92 -2154.9 16212 -18367 -18367 -0.00093339 -0.00057146 0.00061908 6.1643e+05 2024-05-08 22:16:53,989 INFO [main.py:798]
{rank 0/64} MD step = 380400 step time: 00:00:00.142461 Performance: 65.222 ns/day 0.368 hours/ns 3.774 steps/s 2024-05-08 22:17:02,395 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 148.84 -2243.1 16313 -18556 -18556 -0.00076195 -0.00064766 0.00045717 6.1661e+05 2024-05-08 22:17:18,414 INFO [main.py:798]
{rank 0/64} MD step = 380500 step time: 00:00:00.155521 Performance: 65.224 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 22:17:24,201 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 148.28 -2199.4 16252 -18451 -18451 -0.00060003 -0.00091434 0.00049527 6.1675e+05 2024-05-08 22:17:40,145 INFO [main.py:798]
{rank 0/64} MD step = 380600 step time: 00:00:00.152401 Performance: 65.227 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 22:17:46,960 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 151.59 -1660 16614 -18274 -18274 -0.00062861 -0.00087624 0.00053336 6.1689e+05 2024-05-08 22:18:03,114 INFO [main.py:798]
{rank 0/64} MD step = 380700 step time: 00:00:00.148371 Performance: 65.229 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 22:18:09,735 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 148.83 -1938.2 16312 -18251 -18251 -0.00062861 -0.00053336 0.00068575 6.1707e+05 2024-05-08 22:18:25,792 INFO [main.py:798]
{rank 0/64} MD step = 380800 step time: 00:00:00.158854 Performance: 65.232 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 22:18:31,457 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 149.99 -1838.9 16439 -18278 -18278 -0.00083814 -0.00099053 0.0006667 6.1718e+05 2024-05-08 22:18:47,835 INFO [main.py:798]
{rank 0/64} MD step = 380900 step time: 00:00:00.166097 Performance: 65.234 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 22:18:54,384 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 146.73 -2213.7 16081 -18295 -18295 -0.00072385 -0.00080005 0.00064766 6.1741e+05 2024-05-08 22:19:09,824 INFO [main.py:798]
{rank 0/64} MD step = 381000 step time: 00:00:00.155633 Performance: 65.237 ns/day 0.368 hours/ns 3.775 steps/s 2024-05-08 22:19:14,553 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 149.83 -2103.5 16422 -18525 -18525 -0.00099053 -0.00076195 0.00014287 6.1761e+05 2024-05-08 22:19:30,726 INFO [main.py:798]
{rank 0/64} MD step = 381100 step time: 00:00:00.156239 Performance: 65.241 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:19:37,817 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 149.21 -2260.1 16354 -18614 -18614 -0.00036193 -0.00060956 0.00045717 6.178e+05 2024-05-08 22:19:53,622 INFO [main.py:798]
{rank 0/64} MD step = 381200 step time: 00:00:00.160812 Performance: 65.243 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:19:59,445 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 148.47 -2308.3 16272 -18580 -18580 -0.00083814 -0.00053336 0.00040002 6.1797e+05 2024-05-08 22:20:15,058 INFO [main.py:798]
{rank 0/64} MD step = 381300 step time: 00:00:00.157030 Performance: 65.247 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:20:22,873 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 149.75 -2138.7 16413 -18552 -18552 -0.00034288 -0.00040002 0.00045717 6.1815e+05 2024-05-08 22:20:39,390 INFO [main.py:798]
{rank 0/64} MD step = 381400 step time: 00:00:00.154405 Performance: 65.248 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:20:46,809 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 151.44 -1952.8 16598 -18550 -18550 -0.00049527 -0.00087624 0.0004286 6.183e+05 2024-05-08 22:21:05,242 INFO [main.py:798]
{rank 0/64} MD step = 381500 step time: 00:00:00.164536 Performance: 65.248 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:21:14,945 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 148.57 -2333.9 16284 -18618 -18618 -0.00022858 -0.00051431 0.00036193 6.1846e+05 2024-05-08 22:21:30,258 INFO [main.py:798]
{rank 0/64} MD step = 381600 step time: 00:00:00.158418 Performance: 65.249 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:21:37,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381600 76320 150.17 -2077.1 16458 -18536 -18536 -0.00045717 -0.00089529 0.00040002 6.1863e+05 2024-05-08 22:21:52,981 INFO [main.py:798]
{rank 0/64} MD step = 381700 step time: 00:00:00.163935 Performance: 65.252 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:21:58,769 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 151.13 -2102 16564 -18666 -18666 -0.00058099 -0.0010286 0.00036193 6.1882e+05 2024-05-08 22:22:14,447 INFO [main.py:798]
{rank 0/64} MD step = 381800 step time: 00:00:00.157163 Performance: 65.255 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:22:27,110 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 151.56 -1969.8 16611 -18581 -18581 -0.00084767 -0.00061908 0.00064766 6.1902e+05 2024-05-08 22:22:43,069 INFO [main.py:798]
{rank 0/64} MD step = 381900 step time: 00:00:00.148260 Performance: 65.254 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:22:51,530 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 150.57 -2142.8 16503 -18646 -18646 -0.00055241 -0.00099053 0.00057146 6.1921e+05 2024-05-08 22:23:07,302 INFO [main.py:798]
{rank 0/64} MD step = 382000 step time: 00:00:00.161690 Performance: 65.255 ns/day 0.368 hours/ns 3.776 steps/s 2024-05-08 22:23:13,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382000 76400 148.44 -2345.4 16269 -18614 -18614 -0.00041907 -0.00068575 0.00045717 6.1936e+05 2024-05-08 22:23:28,902 INFO [main.py:798]
{rank 0/64} MD step = 382100 step time: 00:00:00.149663 Performance: 65.258 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 22:23:34,960 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 151.55 -2068.6 16610 -18679 -18679 -0.00030478 -0.00079766 0.00055241 6.1953e+05 2024-05-08 22:23:50,987 INFO [main.py:798]
{rank 0/64} MD step = 382200 step time: 00:00:00.153958 Performance: 65.261 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 22:23:55,399 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 149.91 -2407.1 16431 -18838 -18838 -0.00051431 -0.00068575 0.00049527 6.1967e+05 2024-05-08 22:24:12,714 INFO [main.py:798]
{rank 0/64} MD step = 382300 step time: 00:00:00.156120 Performance: 65.264 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 22:24:19,278 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 151.67 -2145.7 16623 -18769 -18769 -0.00060956 -0.00059051 0.00015239 6.1985e+05 2024-05-08 22:24:34,714 INFO [main.py:798]
{rank 0/64} MD step = 382400 step time: 00:00:00.159423 Performance: 65.267 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 22:24:45,682 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 149.03 -2319.5 16333 -18653 -18653 -0.00030478 -0.00052384 0.00062861 6.1999e+05 2024-05-08 22:25:01,534 INFO [main.py:798]
{rank 0/64} MD step = 382500 step time: 00:00:00.140404 Performance: 65.267 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 22:25:07,809 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 152.31 -2018.6 16694 -18712 -18712 -0.00053336 -0.00059051 0.00076195 6.2011e+05 2024-05-08 22:25:24,644 INFO [main.py:798]
{rank 0/64} MD step = 382600 step time: 00:00:00.156430 Performance: 65.269 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 22:25:32,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382600 76520 149.57 -2252.3 16393 -18645 -18645 -0.00072385 -0.00081909 0.00030478 6.2027e+05 2024-05-08 22:25:48,469 INFO [main.py:798]
{rank 0/64} MD step = 382700 step time: 00:00:00.154592 Performance: 65.271 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 22:25:55,311 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 150.32 -1790.1 16476 -18266 -18266 -0.00087624 -0.00055241 0.00083814 6.2054e+05 2024-05-08 22:26:10,446 INFO [main.py:798]
{rank 0/64} MD step = 382800 step time: 00:00:00.151531 Performance: 65.273 ns/day 0.368 hours/ns 3.777 steps/s 2024-05-08 22:26:16,621 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 150.83 -2040.3 16532 -18572 -18572 -0.00026668 -0.00089529 0.00047622 6.2065e+05 2024-05-08 22:26:32,525 INFO [main.py:798]
{rank 0/64} MD step = 382900 step time: 00:00:00.135758 Performance: 65.276 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 22:26:39,477 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 148.73 -2342 16301 -18643 -18643 -0.00059051 -0.00045717 0.00053336 6.2083e+05 2024-05-08 22:26:55,507 INFO [main.py:798]
{rank 0/64} MD step = 383000 step time: 00:00:00.153277 Performance: 65.279 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 22:27:05,073 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 151.77 -1667.3 16634 -18302 -18302 -0.00087624 -0.00083814 0.00020954 6.2099e+05 2024-05-08 22:27:21,868 INFO [main.py:798]
{rank 0/64} MD step = 383100 step time: 00:00:00.144256 Performance: 65.279 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 22:27:30,883 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 148.8 -2219.4 16309 -18528 -18528 -0.00049527 -0.00076195 0.00083814 6.2112e+05 2024-05-08 22:27:46,282 INFO [main.py:798]
{rank 0/64} MD step = 383200 step time: 00:00:00.178968 Performance: 65.280 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 22:27:55,210 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 150.56 -1805 16502 -18307 -18307 -0.000781 -0.00045717 0.00068575 6.213e+05 2024-05-08 22:28:10,644 INFO [main.py:798]
{rank 0/64} MD step = 383300 step time: 00:00:00.160983 Performance: 65.281 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 22:28:16,478 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 151.74 -1667 16631 -18298 -18298 -0.00076195 -0.00093339 0.00040002 6.2144e+05 2024-05-08 22:28:32,070 INFO [main.py:798]
{rank 0/64} MD step = 383400 step time: 00:00:00.145101 Performance: 65.285 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 22:28:38,511 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 149.53 -2038.7 16389 -18427 -18427 -0.00068575 -0.00059051 0.00045717 6.216e+05 2024-05-08 22:28:54,306 INFO [main.py:798]
{rank 0/64} MD step = 383500 step time: 00:00:00.157158 Performance: 65.287 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 22:28:58,994 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 151.98 -1838.2 16658 -18496 -18496 -0.00087624 -0.00080005 0.00055241 6.2175e+05 2024-05-08 22:29:15,533 INFO [main.py:798]
{rank 0/64} MD step = 383600 step time: 00:00:00.142810 Performance: 65.291 ns/day 0.368 hours/ns 3.778 steps/s 2024-05-08 22:29:22,343 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 146.79 -2483.2 16088 -18572 -18572 -0.00099053 -0.00081909 0.00067623 6.219e+05 2024-05-08 22:29:38,435 INFO [main.py:798]
{rank 0/64} MD step = 383700 step time: 00:00:00.152465 Performance: 65.293 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 22:29:46,662 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 150.11 -2142.1 16452 -18595 -18595 -0.00057146 -0.00030478 0.00023811 6.2208e+05 2024-05-08 22:30:02,461 INFO [main.py:798]
{rank 0/64} MD step = 383800 step time: 00:00:00.151209 Performance: 65.295 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 22:30:09,980 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 149.73 -2253.5 16411 -18665 -18665 -0.00062861 -0.00076195 0.00060956 6.2231e+05 2024-05-08 22:30:25,918 INFO [main.py:798]
{rank 0/64} MD step = 383900 step time: 00:00:00.147411 Performance: 65.296 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 22:30:36,380 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 151.09 -1979.7 16559 -18539 -18539 -0.0006667 -0.00038097 0.00038097 6.2251e+05 2024-05-08 22:30:52,803 INFO [main.py:798]
{rank 0/64} MD step = 384000 step time: 00:00:00.150248 Performance: 65.296 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 22:31:02,023 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 150.88 -2040.1 16536 -18576 -18576 -0.00057146 -0.00049527 0.00077623 6.2263e+05 2024-05-08 22:31:17,377 INFO [main.py:798]
{rank 0/64} MD step = 384100 step time: 00:00:00.165561 Performance: 65.297 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 22:31:23,216 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 152 -2056.4 16659 -18716 -18716 -0.00096196 -0.00053336 0.00057146 6.2282e+05 2024-05-08 22:31:39,024 INFO [main.py:798]
{rank 0/64} MD step = 384200 step time: 00:00:00.157639 Performance: 65.300 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 22:31:44,562 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 146.94 -2209.2 16105 -18314 -18314 -0.00038097 -0.00034288 0.00051431 6.23e+05 2024-05-08 22:31:59,785 INFO [main.py:798]
{rank 0/64} MD step = 384300 step time: 00:00:00.147422 Performance: 65.304 ns/day 0.368 hours/ns 3.779 steps/s 2024-05-08 22:32:06,536 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 150.59 -1824 16505 -18329 -18329 -0.00076195 -0.00041907 0.00045717 6.232e+05 2024-05-08 22:32:21,995 INFO [main.py:798]
{rank 0/64} MD step = 384400 step time: 00:00:00.148319 Performance: 65.307 ns/day 0.367 hours/ns 3.779 steps/s 2024-05-08 22:32:28,141 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 147.55 -2307.1 16172 -18479 -18479 -0.00036193 -0.00052146 0.0007048 6.233e+05 2024-05-08 22:32:43,392 INFO [main.py:798]
{rank 0/64} MD step = 384500 step time: 00:00:00.147706 Performance: 65.310 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 22:32:48,180 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 147.56 -1967 16173 -18140 -18140 -0.00068575 -0.00049527 0.00058099 6.2349e+05 2024-05-08 22:33:04,094 INFO [main.py:798]
{rank 0/64} MD step = 384600 step time: 00:00:00.153706 Performance: 65.314 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 22:33:08,701 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 150.33 -1932.9 16476 -18409 -18409 -0.0007429 -0.00044764 0.00099053 6.2362e+05 2024-05-08 22:33:26,173 INFO [main.py:798]
{rank 0/64} MD step = 384700 step time: 00:00:00.175738 Performance: 65.317 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 22:33:35,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384700 76940 150.17 -1976 16458 -18434 -18434 -0.00024763 -0.00090481 0.0007048 6.2382e+05 2024-05-08 22:33:51,145 INFO [main.py:798]
{rank 0/64} MD step = 384800 step time: 00:00:00.149902 Performance: 65.318 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 22:33:59,243 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 150.72 -1870.8 16519 -18390 -18390 -0.00018096 -0.00068575 0.00083814 6.2395e+05 2024-05-08 22:34:15,361 INFO [main.py:798]
{rank 0/64} MD step = 384900 step time: 00:00:00.163467 Performance: 65.319 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 22:34:21,077 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 149.06 -2150.2 16338 -18488 -18488 -0.00083814 -0.00092386 0.00092386 6.241e+05 2024-05-08 22:34:37,398 INFO [main.py:798]
{rank 0/64} MD step = 385000 step time: 00:00:00.146277 Performance: 65.322 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 22:34:41,579 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 152.03 -1697 16662 -18359 -18359 -0.00076195 -0.00064766 0.00025716 6.2429e+05 2024-05-08 22:34:59,685 INFO [main.py:798]
{rank 0/64} MD step = 385100 step time: 00:00:00.148867 Performance: 65.325 ns/day 0.367 hours/ns 3.780 steps/s 2024-05-08 22:35:05,743 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 151.49 -1649.6 16603 -18253 -18253 -0.00068575 -0.0010667 0.00080957 6.2447e+05 2024-05-08 22:35:21,599 INFO [main.py:798]
{rank 0/64} MD step = 385200 step time: 00:00:00.148089 Performance: 65.327 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 22:35:27,708 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 151.08 -1830.7 16559 -18389 -18389 -0.00080005 -0.00080005 0.00072385 6.2458e+05 2024-05-08 22:35:44,987 INFO [main.py:798]
{rank 0/64} MD step = 385300 step time: 00:00:00.154542 Performance: 65.329 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 22:35:50,360 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 150.09 -2031 16450 -18481 -18481 -0.0007048 -0.00061908 0.00055241 6.2471e+05 2024-05-08 22:36:06,478 INFO [main.py:798]
{rank 0/64} MD step = 385400 step time: 00:00:00.145664 Performance: 65.333 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 22:36:12,460 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 151.21 -1604 16573 -18177 -18177 -0.00072385 -0.00041907 0.00083814 6.2485e+05 2024-05-08 22:36:28,422 INFO [main.py:798]
{rank 0/64} MD step = 385500 step time: 00:00:00.151088 Performance: 65.335 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 22:36:33,164 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 149.73 -2021.2 16411 -18432 -18432 -0.00064766 -0.00068575 0.00076195 6.25e+05 2024-05-08 22:36:50,737 INFO [main.py:798]
{rank 0/64} MD step = 385600 step time: 00:00:00.156676 Performance: 65.338 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 22:36:57,143 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 150.37 -1875.4 16480 -18356 -18356 -0.00047622 -0.00045717 0.00040002 6.252e+05 2024-05-08 22:37:12,630 INFO [main.py:798]
{rank 0/64} MD step = 385700 step time: 00:00:00.152380 Performance: 65.341 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 22:37:21,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385700 77140 150.19 -1847.2 16461 -18308 -18308 -0.00025716 -0.00087624 0.00080005 6.2535e+05 2024-05-08 22:37:37,234 INFO [main.py:798]
{rank 0/64} MD step = 385800 step time: 00:00:00.152033 Performance: 65.342 ns/day 0.367 hours/ns 3.781 steps/s 2024-05-08 22:37:43,935 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 149.28 -1964.7 16362 -18326 -18326 -0.00060956 -0.00083814 0.00080005 6.2553e+05 2024-05-08 22:37:59,823 INFO [main.py:798]
{rank 0/64} MD step = 385900 step time: 00:00:00.146305 Performance: 65.345 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:38:05,764 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 150.45 -1747.2 16490 -18237 -18237 -0.00089529 -0.00051431 0.00049527 6.2563e+05 2024-05-08 22:38:22,058 INFO [main.py:798]
{rank 0/64} MD step = 386000 step time: 00:00:00.163280 Performance: 65.347 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:38:28,246 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 151.74 -2004.7 16631 -18636 -18636 -0.00030478 -0.00020954 0.00067623 6.2575e+05 2024-05-08 22:38:43,970 INFO [main.py:798]
{rank 0/64} MD step = 386100 step time: 00:00:00.160973 Performance: 65.350 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:38:50,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386100 77220 148.98 -2203.7 16329 -18532 -18532 -0.00060003 -0.0010667 0.00059051 6.2592e+05 2024-05-08 22:39:06,064 INFO [main.py:798]
{rank 0/64} MD step = 386200 step time: 00:00:00.162071 Performance: 65.353 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:39:13,382 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 149.09 -2121.2 16340 -18462 -18462 -0.00045717 -0.00043812 0.00087624 6.261e+05 2024-05-08 22:39:29,269 INFO [main.py:798]
{rank 0/64} MD step = 386300 step time: 00:00:00.162624 Performance: 65.355 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:39:44,493 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 149.84 -1970.2 16423 -18393 -18393 -0.00099053 -0.00075719 0.00076195 6.2626e+05 2024-05-08 22:40:00,284 INFO [main.py:798]
{rank 0/64} MD step = 386400 step time: 00:00:00.139041 Performance: 65.352 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:40:04,995 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 148.57 -1982.1 16283 -18265 -18265 -0.00044764 -0.00064766 0.00034288 6.2642e+05 2024-05-08 22:40:22,028 INFO [main.py:798]
{rank 0/64} MD step = 386500 step time: 00:00:00.136811 Performance: 65.355 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:40:27,791 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 149.03 -2089.9 16334 -18423 -18423 -0.00053336 -0.00043812 0.00026668 6.2656e+05 2024-05-08 22:40:43,741 INFO [main.py:798]
{rank 0/64} MD step = 386600 step time: 00:00:00.145594 Performance: 65.358 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:40:50,972 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 149.34 -1924.1 16368 -18292 -18292 -0.00093339 -0.00034288 0.00053336 6.2668e+05 2024-05-08 22:41:07,480 INFO [main.py:798]
{rank 0/64} MD step = 386700 step time: 00:00:00.146094 Performance: 65.360 ns/day 0.367 hours/ns 3.782 steps/s 2024-05-08 22:41:14,489 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 151.86 -1959.4 16644 -18604 -18604 -0.00036193 -0.00030478 0.00026668 6.2684e+05 2024-05-08 22:41:29,900 INFO [main.py:798]
{rank 0/64} MD step = 386800 step time: 00:00:00.153870 Performance: 65.363 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 22:41:37,164 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 149.92 -2064.7 16431 -18496 -18496 -0.00081909 -0.00060003 0.00090481 6.27e+05 2024-05-08 22:41:52,905 INFO [main.py:798]
{rank 0/64} MD step = 386900 step time: 00:00:00.150499 Performance: 65.365 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 22:41:58,916 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 151.05 -2122.2 16555 -18677 -18677 -0.00029525 -0.00051431 0.00034288 6.2711e+05 2024-05-08 22:42:14,675 INFO [main.py:798]
{rank 0/64} MD step = 387000 step time: 00:00:00.156731 Performance: 65.368 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 22:42:20,402 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 152.36 -1669.5 16699 -18368 -18368 -0.00080005 -0.00080005 0.00064766 6.2728e+05 2024-05-08 22:42:36,382 INFO [main.py:798]
{rank 0/64} MD step = 387100 step time: 00:00:00.160372 Performance: 65.371 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 22:42:46,986 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 149.09 -2040 16341 -18381 -18381 -0.00060956 -0.00075242 0.00064766 6.2742e+05 2024-05-08 22:43:02,278 INFO [main.py:798]
{rank 0/64} MD step = 387200 step time: 00:00:00.157888 Performance: 65.371 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 22:43:08,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387200 77440 148.65 -2235.2 16293 -18528 -18528 -0.00045717 -0.00072385 0.00087624 6.2755e+05 2024-05-08 22:43:24,408 INFO [main.py:798]
{rank 0/64} MD step = 387300 step time: 00:00:00.155919 Performance: 65.374 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 22:43:30,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387300 77460 151.29 -1805.5 16581 -18387 -18387 -0.00064766 -0.00038097 0.00080005 6.2771e+05 2024-05-08 22:43:46,383 INFO [main.py:798]
{rank 0/64} MD step = 387400 step time: 00:00:00.155551 Performance: 65.377 ns/day 0.367 hours/ns 3.783 steps/s 2024-05-08 22:43:51,854 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 151.2 -1923.3 16572 -18495 -18495 -0.00057146 -0.00055241 0.00038097 6.2787e+05 2024-05-08 22:44:07,909 INFO [main.py:798]
{rank 0/64} MD step = 387500 step time: 00:00:00.165736 Performance: 65.380 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 22:44:14,163 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 149.14 -1958.6 16346 -18304 -18304 -0.00061908 -0.000781 0.00036193 6.2804e+05 2024-05-08 22:44:29,486 INFO [main.py:798]
{rank 0/64} MD step = 387600 step time: 00:00:00.163867 Performance: 65.383 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 22:44:36,481 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 148.44 -2180.6 16269 -18450 -18450 -0.00087624 -0.00060956 0.00049527 6.2821e+05 2024-05-08 22:44:52,158 INFO [main.py:798]
{rank 0/64} MD step = 387700 step time: 00:00:00.160903 Performance: 65.385 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 22:44:58,637 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 149.6 -1915 16396 -18311 -18311 -0.00068575 -0.00053336 0.00041907 6.2842e+05 2024-05-08 22:45:14,399 INFO [main.py:798]
{rank 0/64} MD step = 387800 step time: 00:00:00.173429 Performance: 65.388 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 22:45:20,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387800 77560 150.97 -1711.3 16547 -18258 -18258 -0.00053336 -0.00053336 0.00034288 6.2857e+05 2024-05-08 22:45:35,064 INFO [main.py:798]
{rank 0/64} MD step = 387900 step time: 00:00:00.153456 Performance: 65.392 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 22:45:41,371 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 151.35 -1792.6 16588 -18381 -18381 -0.00045717 -0.00093339 0.00032383 6.2871e+05 2024-05-08 22:45:56,907 INFO [main.py:798]
{rank 0/64} MD step = 388000 step time: 00:00:00.150582 Performance: 65.395 ns/day 0.367 hours/ns 3.784 steps/s 2024-05-08 22:46:03,433 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 148.21 -2090.7 16244 -18335 -18335 -0.00028573 -0.00032383 0.00076195 6.2885e+05 2024-05-08 22:46:18,866 INFO [main.py:798]
{rank 0/64} MD step = 388100 step time: 00:00:00.154531 Performance: 65.397 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:46:26,164 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 150.53 -1583 16499 -18082 -18082 -0.00030478 -0.00085719 0.00034288 6.29e+05 2024-05-08 22:46:41,577 INFO [main.py:798]
{rank 0/64} MD step = 388200 step time: 00:00:00.155081 Performance: 65.400 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:46:50,020 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 149.74 -1834.1 16411 -18245 -18245 -0.00045717 -0.00083814 0.00053336 6.2917e+05 2024-05-08 22:47:05,829 INFO [main.py:798]
{rank 0/64} MD step = 388300 step time: 00:00:00.149498 Performance: 65.401 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:47:11,062 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 153.4 -1803.2 16812 -18616 -18616 -0.00048574 -0.00040478 0.00057146 6.2931e+05 2024-05-08 22:47:28,846 INFO [main.py:798]
{rank 0/64} MD step = 388400 step time: 00:00:00.162382 Performance: 65.403 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:47:38,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388400 77680 150.56 -1871.9 16501 -18373 -18373 -0.00033335 -0.00081909 0.00068575 6.2956e+05 2024-05-08 22:47:53,801 INFO [main.py:798]
{rank 0/64} MD step = 388500 step time: 00:00:00.160679 Performance: 65.404 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:48:00,818 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 150.5 -2042.5 16495 -18537 -18537 -0.00057146 -0.00061908 0.00049527 6.2968e+05 2024-05-08 22:48:15,956 INFO [main.py:798]
{rank 0/64} MD step = 388600 step time: 00:00:00.163242 Performance: 65.407 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:48:23,090 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 147.3 -2458.5 16145 -18603 -18603 -0.00057146 -0.00055241 0.00045717 6.2986e+05 2024-05-08 22:48:38,590 INFO [main.py:798]
{rank 0/64} MD step = 388700 step time: 00:00:00.156160 Performance: 65.409 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:48:44,901 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 149.36 -2009.3 16370 -18380 -18380 -0.00049527 -0.00064766 0.00040955 6.3003e+05 2024-05-08 22:49:00,340 INFO [main.py:798]
{rank 0/64} MD step = 388800 step time: 00:00:00.160935 Performance: 65.412 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:49:09,673 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 149.64 -2156.3 16400 -18556 -18556 -0.00091434 -0.00083814 0.00036193 6.3015e+05 2024-05-08 22:49:25,406 INFO [main.py:798]
{rank 0/64} MD step = 388900 step time: 00:00:00.155799 Performance: 65.413 ns/day 0.367 hours/ns 3.785 steps/s 2024-05-08 22:49:31,963 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 150.68 -1993.2 16515 -18508 -18508 -0.00062861 -0.0011239 0.00053336 6.3036e+05 2024-05-08 22:49:47,577 INFO [main.py:798]
{rank 0/64} MD step = 389000 step time: 00:00:00.146081 Performance: 65.416 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 22:49:53,733 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 149.92 -2043.9 16431 -18475 -18475 -0.00087624 -0.00068575 0.00033335 6.3048e+05 2024-05-08 22:50:09,280 INFO [main.py:798]
{rank 0/64} MD step = 389100 step time: 00:00:00.153185 Performance: 65.419 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 22:50:15,879 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 149.88 -1920.2 16427 -18347 -18347 -0.00036193 -0.00099053 0.00060956 6.3061e+05 2024-05-08 22:50:31,155 INFO [main.py:798]
{rank 0/64} MD step = 389200 step time: 00:00:00.160576 Performance: 65.422 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 22:50:37,048 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 150.71 -1874.6 16518 -18393 -18393 -0.00068575 -0.00056194 0.00064766 6.3078e+05 2024-05-08 22:50:53,601 INFO [main.py:798]
{rank 0/64} MD step = 389300 step time: 00:00:00.163952 Performance: 65.424 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 22:50:59,906 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 148.7 -2134.1 16297 -18431 -18431 -0.00076195 -0.00076195 0.00068575 6.3094e+05 2024-05-08 22:51:15,846 INFO [main.py:798]
{rank 0/64} MD step = 389400 step time: 00:00:00.153225 Performance: 65.427 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 22:51:23,920 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 152.82 -1418.1 16749 -18167 -18167 -0.0006667 -0.00038097 0.00049527 6.311e+05 2024-05-08 22:51:39,692 INFO [main.py:798]
{rank 0/64} MD step = 389500 step time: 00:00:00.150472 Performance: 65.429 ns/day 0.367 hours/ns 3.786 steps/s 2024-05-08 22:51:46,658 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 150.22 -1865.2 16464 -18330 -18330 -0.00064766 -0.00045717 0.00064766 6.3125e+05 2024-05-08 22:52:02,596 INFO [main.py:798]
{rank 0/64} MD step = 389600 step time: 00:00:00.143973 Performance: 65.431 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:52:08,859 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 151.47 -1563.1 16602 -18165 -18165 -0.00047622 -0.00011429 0.00068575 6.3138e+05 2024-05-08 22:52:25,108 INFO [main.py:798]
{rank 0/64} MD step = 389700 step time: 00:00:00.152997 Performance: 65.433 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:52:30,415 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 151.28 -1655.9 16580 -18236 -18236 -0.00034288 -0.00038097 0.00061908 6.315e+05 2024-05-08 22:52:46,609 INFO [main.py:798]
{rank 0/64} MD step = 389800 step time: 00:00:00.156644 Performance: 65.436 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:52:53,110 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 149.61 -2078.3 16398 -18476 -18476 -0.00083814 -0.00053336 0.00060956 6.3165e+05 2024-05-08 22:53:09,010 INFO [main.py:798]
{rank 0/64} MD step = 389900 step time: 00:00:00.155724 Performance: 65.439 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:53:15,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389900 77980 149.35 -1961.3 16368 -18330 -18330 -0.00064766 -0.000781 0.000781 6.318e+05 2024-05-08 22:53:31,172 INFO [main.py:798]
{rank 0/64} MD step = 390000 step time: 00:00:00.154188 Performance: 65.442 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:53:44,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390000 78000 149.87 -2062.6 16426 -18488 -18488 -0.00072385 -0.00099053 0.00057146 6.3195e+05 2024-05-08 22:53:59,781 INFO [main.py:798]
{rank 0/64} MD step = 390100 step time: 00:00:00.154260 Performance: 65.440 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:54:06,128 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 150.02 -2141.6 16442 -18584 -18584 -0.00036193 -0.00052384 0.00026668 6.321e+05 2024-05-08 22:54:21,468 INFO [main.py:798]
{rank 0/64} MD step = 390200 step time: 00:00:00.161814 Performance: 65.443 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:54:28,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390200 78040 150.47 -1789 16491 -18280 -18280 -0.00080005 -0.00077147 0.00030478 6.3228e+05 2024-05-08 22:54:44,008 INFO [main.py:798]
{rank 0/64} MD step = 390300 step time: 00:00:00.158225 Performance: 65.446 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:54:50,998 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 150.69 -2128.3 16516 -18644 -18644 -0.0007048 -0.00059051 0.00060956 6.3247e+05 2024-05-08 22:55:06,916 INFO [main.py:798]
{rank 0/64} MD step = 390400 step time: 00:00:00.156495 Performance: 65.448 ns/day 0.367 hours/ns 3.787 steps/s 2024-05-08 22:55:13,748 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 151.42 -1784.4 16596 -18380 -18380 -0.00093339 -0.00043812 1.9049e-05 6.3256e+05 2024-05-08 22:55:29,668 INFO [main.py:798]
{rank 0/64} MD step = 390500 step time: 00:00:00.155783 Performance: 65.450 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:55:41,338 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 148.26 -2294.6 16250 -18545 -18545 -0.00083814 -0.00057146 0.00049527 6.3277e+05 2024-05-08 22:55:58,657 INFO [main.py:798]
{rank 0/64} MD step = 390600 step time: 00:00:00.156147 Performance: 65.449 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:56:07,092 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 152.16 -1601.2 16677 -18278 -18278 -0.0010096 -0.00064766 0.00045717 6.329e+05 2024-05-08 22:56:22,538 INFO [main.py:798]
{rank 0/64} MD step = 390700 step time: 00:00:00.159493 Performance: 65.450 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:56:29,321 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 150.38 -1984.7 16482 -18467 -18467 -0.00091434 -0.00091434 0.00045717 6.3306e+05 2024-05-08 22:56:45,113 INFO [main.py:798]
{rank 0/64} MD step = 390800 step time: 00:00:00.147426 Performance: 65.453 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:56:51,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390800 78160 148.98 -1932.2 16329 -18261 -18261 -0.00057146 -0.00064766 0.00055241 6.3325e+05 2024-05-08 22:57:08,373 INFO [main.py:798]
{rank 0/64} MD step = 390900 step time: 00:00:00.150743 Performance: 65.455 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:57:15,037 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 150.33 -1849.2 16476 -18325 -18325 -0.00030478 -0.00064766 0.00034288 6.3335e+05 2024-05-08 22:57:31,004 INFO [main.py:798]
{rank 0/64} MD step = 391000 step time: 00:00:00.148306 Performance: 65.457 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:57:44,249 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 152.43 -1746.2 16707 -18453 -18453 -0.00072385 -0.00064766 0.00068575 6.3349e+05 2024-05-08 22:57:58,951 INFO [main.py:798]
{rank 0/64} MD step = 391100 step time: 00:00:00.136323 Performance: 65.456 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:58:06,838 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 149.2 -1872 16352 -18224 -18224 -0.00071433 -0.00055241 0.00087624 6.3368e+05 2024-05-08 22:58:22,979 INFO [main.py:798]
{rank 0/64} MD step = 391200 step time: 00:00:00.163084 Performance: 65.458 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:58:29,172 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 149.63 -1919.2 16400 -18319 -18319 -0.00064766 -0.00091434 0.00040955 6.3379e+05 2024-05-08 22:58:45,108 INFO [main.py:798]
{rank 0/64} MD step = 391300 step time: 00:00:00.167493 Performance: 65.460 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:58:51,146 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 148.57 -2100.7 16283 -18384 -18384 -0.00030478 -0.00036193 0.0007048 6.3395e+05 2024-05-08 22:59:06,599 INFO [main.py:798]
{rank 0/64} MD step = 391400 step time: 00:00:00.154609 Performance: 65.463 ns/day 0.367 hours/ns 3.788 steps/s 2024-05-08 22:59:13,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391400 78280 152.47 -1601.9 16711 -18313 -18313 -0.00075242 -0.00060956 0.00059051 6.3415e+05 2024-05-08 22:59:29,378 INFO [main.py:798]
{rank 0/64} MD step = 391500 step time: 00:00:00.157870 Performance: 65.466 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 22:59:38,504 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 147.32 -2253.2 16146 -18400 -18400 -0.00060956 -0.00093339 0.00024763 6.3434e+05 2024-05-08 22:59:54,224 INFO [main.py:798]
{rank 0/64} MD step = 391600 step time: 00:00:00.157890 Performance: 65.467 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 23:00:00,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391600 78320 149.89 -1947 16428 -18375 -18375 -0.0011334 -0.00060956 0.00047622 6.3452e+05 2024-05-08 23:00:15,564 INFO [main.py:798]
{rank 0/64} MD step = 391700 step time: 00:00:00.156336 Performance: 65.470 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 23:00:21,837 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 149.72 -2067.8 16410 -18477 -18477 -0.00060956 -0.00060956 0.00083814 6.3462e+05 2024-05-08 23:00:37,451 INFO [main.py:798]
{rank 0/64} MD step = 391800 step time: 00:00:00.164213 Performance: 65.473 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 23:00:44,520 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 149.18 -2199.6 16350 -18550 -18550 -0.00064766 -0.0007048 0.00085719 6.3478e+05 2024-05-08 23:01:00,182 INFO [main.py:798]
{rank 0/64} MD step = 391900 step time: 00:00:00.160239 Performance: 65.475 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 23:01:07,482 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 150.34 -2099.7 16477 -18577 -18577 -0.00068575 -0.00060956 0.00071433 6.3493e+05 2024-05-08 23:01:23,226 INFO [main.py:798]
{rank 0/64} MD step = 392000 step time: 00:00:00.160949 Performance: 65.477 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 23:01:29,054 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 149.06 -2007.7 16337 -18345 -18345 -0.00072385 -0.00080005 0.0006667 6.3508e+05 2024-05-08 23:01:45,188 INFO [main.py:798]
{rank 0/64} MD step = 392100 step time: 00:00:00.154892 Performance: 65.480 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 23:01:52,109 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 146.89 -2323.2 16100 -18423 -18423 -0.00083814 -0.0010096 0.00080005 6.3525e+05 2024-05-08 23:02:07,674 INFO [main.py:798]
{rank 0/64} MD step = 392200 step time: 00:00:00.147425 Performance: 65.482 ns/day 0.367 hours/ns 3.789 steps/s 2024-05-08 23:02:13,905 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 153.2 -1570.3 16791 -18361 -18361 -0.00095243 -0.00085719 0.00015239 6.3542e+05 2024-05-08 23:02:29,999 INFO [main.py:798]
{rank 0/64} MD step = 392300 step time: 00:00:00.152708 Performance: 65.485 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 23:02:38,233 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 149.99 -2065.1 16439 -18504 -18504 -0.00028573 -0.00022858 0.00091434 6.3557e+05 2024-05-08 23:02:53,809 INFO [main.py:798]
{rank 0/64} MD step = 392400 step time: 00:00:00.151761 Performance: 65.487 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 23:03:01,483 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 149.41 -2238.3 16375 -18613 -18613 -0.00081909 -0.0003905 0.00076195 6.3573e+05 2024-05-08 23:03:16,240 INFO [main.py:798]
{rank 0/64} MD step = 392500 step time: 00:00:00.194219 Performance: 65.489 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 23:03:22,594 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 150.14 -1984.1 16455 -18439 -18439 -0.00041907 -0.00028573 0.00049527 6.3588e+05 2024-05-08 23:03:37,599 INFO [main.py:798]
{rank 0/64} MD step = 392600 step time: 00:00:00.139531 Performance: 65.492 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 23:03:44,165 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 150.5 -1973.2 16495 -18468 -18468 -0.00047622 -0.00045717 0.00045717 6.3606e+05 2024-05-08 23:03:59,824 INFO [main.py:798]
{rank 0/64} MD step = 392700 step time: 00:00:00.156449 Performance: 65.495 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 23:04:07,515 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 147.63 -2278.9 16181 -18460 -18460 -0.00095243 -0.00072385 0.00038097 6.3625e+05 2024-05-08 23:04:23,508 INFO [main.py:798]
{rank 0/64} MD step = 392800 step time: 00:00:00.156836 Performance: 65.497 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 23:04:32,294 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 150.3 -1918.3 16473 -18392 -18392 -0.00051431 -0.00072385 0.00068575 6.3637e+05 2024-05-08 23:04:48,529 INFO [main.py:798]
{rank 0/64} MD step = 392900 step time: 00:00:00.156284 Performance: 65.497 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 23:04:55,438 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 147.64 -2205.5 16181 -18387 -18387 -0.00045717 -0.00056194 0.00041907 6.3653e+05 2024-05-08 23:05:11,346 INFO [main.py:798]
{rank 0/64} MD step = 393000 step time: 00:00:00.156662 Performance: 65.500 ns/day 0.366 hours/ns 3.790 steps/s 2024-05-08 23:05:16,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393000 78600 149.7 -1989.5 16407 -18397 -18397 -9.5243e-05 -0.00085719 0.00083814 6.3668e+05 2024-05-08 23:05:32,894 INFO [main.py:798]
{rank 0/64} MD step = 393100 step time: 00:00:00.159747 Performance: 65.503 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:05:41,209 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 150.59 -1842.7 16504 -18347 -18347 -0.00014287 -0.00049527 0.00036193 6.3684e+05 2024-05-08 23:05:57,609 INFO [main.py:798]
{rank 0/64} MD step = 393200 step time: 00:00:00.155508 Performance: 65.504 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:06:07,009 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 150.94 -1988.1 16543 -18531 -18531 -0.0007048 -0.00030478 0.00041907 6.3697e+05 2024-05-08 23:06:22,431 INFO [main.py:798]
{rank 0/64} MD step = 393300 step time: 00:00:00.150198 Performance: 65.505 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:06:30,709 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 147.98 -2326.2 16218 -18545 -18545 -0.00083814 -0.00082862 0.00036193 6.3712e+05 2024-05-08 23:06:46,334 INFO [main.py:798]
{rank 0/64} MD step = 393400 step time: 00:00:00.158981 Performance: 65.506 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:06:55,189 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 152.53 -1655.4 16717 -18373 -18373 -0.00053336 -0.00079052 0.00019049 6.3729e+05 2024-05-08 23:07:11,081 INFO [main.py:798]
{rank 0/64} MD step = 393500 step time: 00:00:00.159228 Performance: 65.507 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:07:17,045 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 148.96 -2135.1 16326 -18461 -18461 -0.00087624 -0.00030954 0.00057146 6.3744e+05 2024-05-08 23:07:32,734 INFO [main.py:798]
{rank 0/64} MD step = 393600 step time: 00:00:00.155853 Performance: 65.510 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:07:38,994 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 152.71 -1771.1 16737 -18508 -18508 -0.00049527 -0.00073337 0.00060956 6.3756e+05 2024-05-08 23:07:53,561 INFO [main.py:798]
{rank 0/64} MD step = 393700 step time: 00:00:00.155129 Performance: 65.514 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:08:01,089 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 149.74 -1865.6 16412 -18277 -18277 -0.00038097 -0.0010286 0.00047622 6.3774e+05 2024-05-08 23:08:17,287 INFO [main.py:798]
{rank 0/64} MD step = 393800 step time: 00:00:00.145906 Performance: 65.516 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:08:27,569 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 148.2 -2232.1 16243 -18475 -18475 -0.00068575 -0.00062861 0.00038097 6.3792e+05 2024-05-08 23:08:42,809 INFO [main.py:798]
{rank 0/64} MD step = 393900 step time: 00:00:00.153047 Performance: 65.516 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:08:53,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393900 78780 147.19 -2300.9 16132 -18433 -18433 -0.00080005 -0.00099053 0.00025716 6.3804e+05 2024-05-08 23:09:09,386 INFO [main.py:798]
{rank 0/64} MD step = 394000 step time: 00:00:00.153343 Performance: 65.516 ns/day 0.366 hours/ns 3.791 steps/s 2024-05-08 23:09:16,395 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 148.41 -2469.7 16266 -18736 -18736 -0.00053813 -0.00040002 0.00059051 6.3813e+05 2024-05-08 23:09:32,345 INFO [main.py:798]
{rank 0/64} MD step = 394100 step time: 00:00:00.158916 Performance: 65.518 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 23:09:38,296 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 150.34 -2126.7 16477 -18604 -18604 -0.00028573 -0.00093339 0.00059051 6.3833e+05 2024-05-08 23:09:53,589 INFO [main.py:798]
{rank 0/64} MD step = 394200 step time: 00:00:00.151348 Performance: 65.521 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 23:10:01,717 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 147.92 -2298.5 16213 -18511 -18511 -0.00057146 -0.00099053 0.00030478 6.3845e+05 2024-05-08 23:10:17,571 INFO [main.py:798]
{rank 0/64} MD step = 394300 step time: 00:00:00.157386 Performance: 65.523 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 23:10:24,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394300 78860 150.11 -2055.7 16452 -18508 -18508 -0.0007429 -0.00017144 0.00053336 6.3869e+05 2024-05-08 23:10:39,904 INFO [main.py:798]
{rank 0/64} MD step = 394400 step time: 00:00:00.157529 Performance: 65.525 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 23:10:47,350 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 150.33 -2032.8 16476 -18509 -18509 -0.00041907 -0.00091434 0.00053336 6.3879e+05 2024-05-08 23:11:02,540 INFO [main.py:798]
{rank 0/64} MD step = 394500 step time: 00:00:00.163036 Performance: 65.528 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 23:11:09,822 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 150.97 -2062.6 16547 -18610 -18610 -0.00045717 -0.00060003 0.00072385 6.3897e+05 2024-05-08 23:11:25,317 INFO [main.py:798]
{rank 0/64} MD step = 394600 step time: 00:00:00.157612 Performance: 65.530 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 23:11:31,302 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 149.85 -1888.6 16423 -18312 -18312 -0.00068575 -0.00053336 0.00053336 6.3913e+05 2024-05-08 23:11:47,517 INFO [main.py:798]
{rank 0/64} MD step = 394700 step time: 00:00:00.163947 Performance: 65.533 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 23:11:53,593 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 148.26 -2265.4 16249 -18515 -18515 -0.00060956 -0.00060956 0.00080005 6.3927e+05 2024-05-08 23:12:12,271 INFO [main.py:798]
{rank 0/64} MD step = 394800 step time: 00:00:00.154794 Performance: 65.534 ns/day 0.366 hours/ns 3.792 steps/s 2024-05-08 23:12:19,215 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 148.41 -2013.4 16266 -18279 -18279 -0.00043812 -0.00091434 0.00051908 6.3944e+05 2024-05-08 23:12:35,203 INFO [main.py:798]
{rank 0/64} MD step = 394900 step time: 00:00:00.156277 Performance: 65.536 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 23:12:41,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394900 78980 148.98 -1946.3 16328 -18275 -18275 -0.00083814 -0.00059051 0.00053336 6.3962e+05 2024-05-08 23:12:57,462 INFO [main.py:798]
{rank 0/64} MD step = 395000 step time: 00:00:00.149237 Performance: 65.538 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 23:13:04,604 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 147.52 -2133.5 16168 -18301 -18301 -0.00087624 -0.00025716 0.00020954 6.3977e+05 2024-05-08 23:13:20,494 INFO [main.py:798]
{rank 0/64} MD step = 395100 step time: 00:00:00.153133 Performance: 65.541 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 23:13:26,600 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 149.22 -2131.3 16354 -18486 -18486 -0.00068575 -0.00049527 0.00095243 6.3996e+05 2024-05-08 23:13:42,369 INFO [main.py:798]
{rank 0/64} MD step = 395200 step time: 00:00:00.153963 Performance: 65.543 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 23:13:53,953 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 150.21 -2010.4 16463 -18474 -18474 -0.00034288 -0.00029525 0.00072385 6.401e+05 2024-05-08 23:14:09,722 INFO [main.py:798]
{rank 0/64} MD step = 395300 step time: 00:00:00.152996 Performance: 65.543 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 23:14:15,860 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 151.04 -1906.9 16554 -18461 -18461 -0.00045717 -0.00045717 0.00038097 6.4027e+05 2024-05-08 23:14:31,551 INFO [main.py:798]
{rank 0/64} MD step = 395400 step time: 00:00:00.159137 Performance: 65.546 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 23:14:38,768 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 150.28 -1912.8 16471 -18383 -18383 -0.00060956 -0.00045717 0.00049527 6.4049e+05 2024-05-08 23:14:54,365 INFO [main.py:798]
{rank 0/64} MD step = 395500 step time: 00:00:00.149815 Performance: 65.548 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 23:15:00,801 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 150.1 -1904.4 16451 -18356 -18356 -0.00068575 -0.00025716 0.00067623 6.4065e+05 2024-05-08 23:15:16,665 INFO [main.py:798]
{rank 0/64} MD step = 395600 step time: 00:00:00.152141 Performance: 65.550 ns/day 0.366 hours/ns 3.793 steps/s 2024-05-08 23:15:22,553 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 146.8 -2250.1 16089 -18339 -18339 -0.00076195 -0.00053336 0.00049527 6.4078e+05 2024-05-08 23:15:38,014 INFO [main.py:798]
{rank 0/64} MD step = 395700 step time: 00:00:00.152260 Performance: 65.554 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 23:15:43,761 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 150.53 -1828.1 16498 -18326 -18326 -0.00091434 -0.00026668 0.00040002 6.4094e+05 2024-05-08 23:16:00,747 INFO [main.py:798]
{rank 0/64} MD step = 395800 step time: 00:00:00.151031 Performance: 65.556 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 23:16:06,432 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 150.53 -2000.7 16498 -18499 -18499 -0.00091434 -0.00083814 0.00091434 6.4108e+05 2024-05-08 23:16:22,170 INFO [main.py:798]
{rank 0/64} MD step = 395900 step time: 00:00:00.151408 Performance: 65.559 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 23:16:28,392 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 150.03 -2060.9 16444 -18505 -18505 -0.00083814 -0.00076195 0.00083814 6.4127e+05 2024-05-08 23:16:44,133 INFO [main.py:798]
{rank 0/64} MD step = 396000 step time: 00:00:00.157904 Performance: 65.562 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 23:16:50,508 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 150.06 -2009 16447 -18456 -18456 -0.00076195 -0.00049527 0.00051431 6.4138e+05 2024-05-08 23:17:06,318 INFO [main.py:798]
{rank 0/64} MD step = 396100 step time: 00:00:00.164626 Performance: 65.564 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 23:17:12,555 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 148.71 -2224.3 16299 -18523 -18523 -0.00095243 -0.0007048 0.00060956 6.4152e+05 2024-05-08 23:17:28,540 INFO [main.py:798]
{rank 0/64} MD step = 396200 step time: 00:00:00.158085 Performance: 65.567 ns/day 0.366 hours/ns 3.794 steps/s 2024-05-08 23:17:35,158 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 149.99 -1956.8 16439 -18395 -18395 -0.00030478 -7.6195e-05 0.00085719 6.4167e+05 2024-05-08 23:17:50,173 INFO [main.py:798]
{rank 0/64} MD step = 396300 step time: 00:00:00.140689 Performance: 65.570 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 23:17:58,914 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 149.73 -1790.8 16410 -18201 -18201 -0.00057146 -0.0010286 0.00049527 6.4189e+05 2024-05-08 23:18:14,792 INFO [main.py:798]
{rank 0/64} MD step = 396400 step time: 00:00:00.151558 Performance: 65.571 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 23:18:21,075 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 152.15 -1563.6 16676 -18240 -18240 -0.00057146 -0.00076195 7.6195e-05 6.4209e+05 2024-05-08 23:18:36,757 INFO [main.py:798]
{rank 0/64} MD step = 396500 step time: 00:00:00.140411 Performance: 65.574 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 23:18:42,493 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 148.82 -2152.7 16311 -18464 -18464 -0.00051431 -0.00049527 0.00057146 6.4222e+05 2024-05-08 23:18:58,259 INFO [main.py:798]
{rank 0/64} MD step = 396600 step time: 00:00:00.144335 Performance: 65.577 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 23:19:03,889 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 149.93 -1948.5 16432 -18381 -18381 -0.00049527 -0.00083814 0.00043812 6.4235e+05 2024-05-08 23:19:20,039 INFO [main.py:798]
{rank 0/64} MD step = 396700 step time: 00:00:00.138561 Performance: 65.580 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 23:19:25,926 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 152.33 -1791.8 16696 -18488 -18488 -0.00049527 -0.00055241 0.00072385 6.4244e+05 2024-05-08 23:19:42,595 INFO [main.py:798]
{rank 0/64} MD step = 396800 step time: 00:00:00.153559 Performance: 65.582 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 23:19:49,832 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 149.44 -2243.5 16379 -18622 -18622 -0.00080005 -0.00024763 0.00099053 6.4262e+05 2024-05-08 23:20:04,969 INFO [main.py:798]
{rank 0/64} MD step = 396900 step time: 00:00:00.148049 Performance: 65.584 ns/day 0.366 hours/ns 3.795 steps/s 2024-05-08 23:20:10,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396900 79380 148.6 -2233.1 16286 -18519 -18519 -0.00072385 -0.00054527 0.00093339 6.4281e+05 2024-05-08 23:20:26,955 INFO [main.py:798]
{rank 0/64} MD step = 397000 step time: 00:00:00.146729 Performance: 65.587 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 23:20:32,774 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 148.49 -2126.3 16275 -18401 -18401 -0.00051431 -0.0004286 0.00041907 6.4299e+05 2024-05-08 23:20:49,076 INFO [main.py:798]
{rank 0/64} MD step = 397100 step time: 00:00:00.142763 Performance: 65.590 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 23:20:54,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397100 79420 151.1 -1762.7 16561 -18323 -18323 -0.00060956 -0.00041907 0.00059051 6.4316e+05 2024-05-08 23:21:11,271 INFO [main.py:798]
{rank 0/64} MD step = 397200 step time: 00:00:00.162512 Performance: 65.592 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 23:21:18,166 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 149.01 -2060.5 16331 -18392 -18392 -0.00068575 -0.00093339 0.0006667 6.4334e+05 2024-05-08 23:21:34,456 INFO [main.py:798]
{rank 0/64} MD step = 397300 step time: 00:00:00.158916 Performance: 65.594 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 23:21:42,703 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 147.82 -2082.7 16202 -18284 -18284 -0.00093339 -0.00062861 0.00064766 6.4353e+05 2024-05-08 23:21:58,702 INFO [main.py:798]
{rank 0/64} MD step = 397400 step time: 00:00:00.153156 Performance: 65.596 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 23:22:04,927 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 148.6 -2070.3 16287 -18357 -18357 -0.00053336 -0.0007048 0.00051431 6.4368e+05 2024-05-08 23:22:20,683 INFO [main.py:798]
{rank 0/64} MD step = 397500 step time: 00:00:00.165057 Performance: 65.598 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 23:22:28,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397500 79500 152 -1536.6 16660 -18196 -18196 -0.00043812 -0.00083814 0.00051431 6.4384e+05 2024-05-08 23:22:44,176 INFO [main.py:798]
{rank 0/64} MD step = 397600 step time: 00:00:00.158621 Performance: 65.600 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 23:22:50,822 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 151.17 -1645.7 16568 -18214 -18214 -0.00061908 -0.00071433 0.00038097 6.44e+05 2024-05-08 23:23:06,800 INFO [main.py:798]
{rank 0/64} MD step = 397700 step time: 00:00:00.158147 Performance: 65.603 ns/day 0.366 hours/ns 3.796 steps/s 2024-05-08 23:23:13,087 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 152.06 -1892.2 16666 -18559 -18559 -0.00053336 -0.00036193 0.00015239 6.4411e+05 2024-05-08 23:23:28,454 INFO [main.py:798]
{rank 0/64} MD step = 397800 step time: 00:00:00.158821 Performance: 65.606 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 23:23:34,569 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 150.42 -1870.7 16486 -18357 -18357 -0.00045717 -0.00091434 0.00051431 6.4428e+05 2024-05-08 23:23:50,642 INFO [main.py:798]
{rank 0/64} MD step = 397900 step time: 00:00:00.166714 Performance: 65.608 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 23:23:57,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397900 79580 149.66 -1929.1 16403 -18332 -18332 -0.0007048 -0.00091434 0.00045717 6.4446e+05 2024-05-08 23:24:12,681 INFO [main.py:798]
{rank 0/64} MD step = 398000 step time: 00:00:00.156245 Performance: 65.611 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 23:24:20,467 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 150.57 -1919 16503 -18422 -18422 -0.00041907 -0.00049527 0.00040002 6.4458e+05 2024-05-08 23:24:35,431 INFO [main.py:798]
{rank 0/64} MD step = 398100 step time: 00:00:00.155640 Performance: 65.613 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 23:24:40,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398100 79620 153.02 -1696.1 16772 -18468 -18468 -0.000781 -0.00053336 0.000781 6.4473e+05 2024-05-08 23:24:56,575 INFO [main.py:798]
{rank 0/64} MD step = 398200 step time: 00:00:00.165064 Performance: 65.616 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 23:25:02,774 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 150.12 -2065.2 16454 -18519 -18519 -0.00053336 -0.00045717 0.00058099 6.4491e+05 2024-05-08 23:25:18,865 INFO [main.py:798]
{rank 0/64} MD step = 398300 step time: 00:00:00.161163 Performance: 65.619 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 23:25:28,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398300 79660 148.8 -2362.5 16308 -18671 -18671 -0.00045717 -0.00022858 0.0007048 6.4512e+05 2024-05-08 23:25:44,617 INFO [main.py:798]
{rank 0/64} MD step = 398400 step time: 00:00:00.160930 Performance: 65.619 ns/day 0.366 hours/ns 3.797 steps/s 2024-05-08 23:25:50,312 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 150.68 -1750.4 16514 -18265 -18265 -0.00034288 -0.00059051 0.00084767 6.4527e+05 2024-05-08 23:26:06,313 INFO [main.py:798]
{rank 0/64} MD step = 398500 step time: 00:00:00.172344 Performance: 65.622 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:26:13,696 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 153.66 -1714.2 16842 -18556 -18556 -0.00041907 -0.00099053 0.00068575 6.4546e+05 2024-05-08 23:26:29,732 INFO [main.py:798]
{rank 0/64} MD step = 398600 step time: 00:00:00.161969 Performance: 65.624 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:26:36,752 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 150.2 -1952 16462 -18414 -18414 -0.00041907 -0.00072385 0.00049527 6.4558e+05 2024-05-08 23:26:52,459 INFO [main.py:798]
{rank 0/64} MD step = 398700 step time: 00:00:00.161307 Performance: 65.626 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:26:58,116 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 148.4 -2173.9 16265 -18439 -18439 -0.00030478 -0.00064766 0.00052384 6.4581e+05 2024-05-08 23:27:15,705 INFO [main.py:798]
{rank 0/64} MD step = 398800 step time: 00:00:00.158182 Performance: 65.628 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:27:30,852 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 150.1 -1970.2 16451 -18421 -18421 -0.00061908 -0.00083814 0.00061908 6.4594e+05 2024-05-08 23:27:46,948 INFO [main.py:798]
{rank 0/64} MD step = 398900 step time: 00:00:00.163223 Performance: 65.625 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:27:53,197 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 149.95 -1847.2 16435 -18282 -18282 -0.00057146 -0.00065718 0.00060956 6.4612e+05 2024-05-08 23:28:08,887 INFO [main.py:798]
{rank 0/64} MD step = 399000 step time: 00:00:00.149296 Performance: 65.628 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:28:16,867 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 150.74 -1933.7 16521 -18455 -18455 -0.00041907 -0.00068575 0.00049527 6.4629e+05 2024-05-08 23:28:31,696 INFO [main.py:798]
{rank 0/64} MD step = 399100 step time: 00:00:00.145600 Performance: 65.630 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:28:40,550 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 151.99 -1867.1 16658 -18525 -18525 -0.00068575 -0.00053336 0.00085719 6.4643e+05 2024-05-08 23:28:56,311 INFO [main.py:798]
{rank 0/64} MD step = 399200 step time: 00:00:00.147541 Performance: 65.631 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:29:02,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399200 79840 149.39 -2119.6 16374 -18493 -18493 -0.00083814 -0.00040002 0.00022858 6.4661e+05 2024-05-08 23:29:21,797 INFO [main.py:798]
{rank 0/64} MD step = 399300 step time: 00:00:00.157515 Performance: 65.632 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:29:29,525 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 149.54 -2086.1 16390 -18476 -18476 -0.00085719 -0.00081909 0.0004286 6.4676e+05 2024-05-08 23:29:45,255 INFO [main.py:798]
{rank 0/64} MD step = 399400 step time: 00:00:00.156671 Performance: 65.633 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:29:51,874 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 151.77 -1900.6 16634 -18535 -18535 -0.00065718 -0.00046669 0.0006667 6.4687e+05 2024-05-08 23:30:07,654 INFO [main.py:798]
{rank 0/64} MD step = 399500 step time: 00:00:00.169746 Performance: 65.636 ns/day 0.366 hours/ns 3.798 steps/s 2024-05-08 23:30:14,396 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 149.66 -2112.6 16403 -18515 -18515 -0.00033335 -0.00082862 0.00086672 6.4707e+05 2024-05-08 23:30:30,115 INFO [main.py:798]
{rank 0/64} MD step = 399600 step time: 00:00:00.158109 Performance: 65.638 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 23:30:36,233 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 149.34 -2165.7 16368 -18533 -18533 -0.00060956 -0.00097148 0.00076195 6.4716e+05 2024-05-08 23:30:52,106 INFO [main.py:798]
{rank 0/64} MD step = 399700 step time: 00:00:00.150388 Performance: 65.641 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 23:30:59,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399700 79940 150.89 -1863.3 16537 -18401 -18401 -0.00060956 -0.00054289 0.00081909 6.4735e+05 2024-05-08 23:31:15,157 INFO [main.py:798]
{rank 0/64} MD step = 399800 step time: 00:00:00.151225 Performance: 65.643 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 23:31:21,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399800 79960 150.29 -1761.6 16471 -18233 -18233 -0.00068575 -0.00099053 0.00053336 6.4758e+05 2024-05-08 23:31:39,309 INFO [main.py:798]
{rank 0/64} MD step = 399900 step time: 00:00:00.140016 Performance: 65.644 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 23:31:47,405 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 149.74 -2270.4 16412 -18682 -18682 -0.00038097 -0.00053336 0.0007429 6.4771e+05 2024-05-08 23:32:02,848 INFO [main.py:798]
{rank 0/64} MD step = 400000 step time: 00:00:00.150445 Performance: 65.646 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 23:32:10,505 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 148.88 -2123.9 16318 -18441 -18441 -0.00059051 -0.00051431 0.00053336 6.4787e+05 2024-05-08 23:32:26,090 INFO [main.py:798]
{rank 0/64} MD step = 400100 step time: 00:00:00.154876 Performance: 65.648 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 23:32:31,966 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 148.62 -2091.3 16289 -18381 -18381 -0.00061908 -0.00034288 0.00091434 6.4804e+05 2024-05-08 23:32:47,347 INFO [main.py:798]
{rank 0/64} MD step = 400200 step time: 00:00:00.144658 Performance: 65.651 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 23:32:52,355 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 150.57 -1668.8 16502 -18171 -18171 -0.00091434 -0.00060003 0.00095243 6.482e+05 2024-05-08 23:33:08,718 INFO [main.py:798]
{rank 0/64} MD step = 400300 step time: 00:00:00.155815 Performance: 65.654 ns/day 0.366 hours/ns 3.799 steps/s 2024-05-08 23:33:16,426 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 148.42 -2022.5 16267 -18289 -18289 -0.00053336 -0.00051431 0.00049527 6.4837e+05 2024-05-08 23:33:31,469 INFO [main.py:798]
{rank 0/64} MD step = 400400 step time: 00:00:00.164459 Performance: 65.656 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 23:33:38,419 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 150.86 -2185.4 16534 -18720 -18720 -0.00049527 -0.00068575 0.00072385 6.4846e+05 2024-05-08 23:33:54,234 INFO [main.py:798]
{rank 0/64} MD step = 400500 step time: 00:00:00.160736 Performance: 65.659 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 23:34:02,028 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 151.33 -1881.9 16585 -18467 -18467 -0.00076195 -0.00055241 0.00072385 6.4863e+05 2024-05-08 23:34:17,500 INFO [main.py:798]
{rank 0/64} MD step = 400600 step time: 00:00:00.169655 Performance: 65.661 ns/day 0.366 hours/ns 3.800 steps/s 2024-05-08 23:34:23,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400600 80120 150.72 -1708.1 16519 -18227 -18227 -0.00038097 -0.00034288 0.00019049 6.4878e+05 2024-05-08 23:34:38,226 INFO [main.py:798]
{rank 0/64} MD step = 400700 step time: 00:00:00.146002 Performance: 65.664 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 23:34:45,759 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 147.17 -2052.4 16130 -18183 -18183 -0.0006048 -0.00057146 0.00049527 6.489e+05 2024-05-08 23:35:01,640 INFO [main.py:798]
{rank 0/64} MD step = 400800 step time: 00:00:00.146392 Performance: 65.666 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 23:35:08,478 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 151.61 -1581.6 16617 -18198 -18198 -0.00083814 -0.00041907 0.00095243 6.4908e+05 2024-05-08 23:35:24,641 INFO [main.py:798]
{rank 0/64} MD step = 400900 step time: 00:00:00.160176 Performance: 65.668 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 23:35:34,070 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 148.46 -1867.9 16272 -18140 -18140 -0.00034288 -0.00087624 0.00068575 6.4924e+05 2024-05-08 23:35:51,525 INFO [main.py:798]
{rank 0/64} MD step = 401000 step time: 00:00:00.156585 Performance: 65.668 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 23:35:58,037 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 148.02 -2015.4 16223 -18238 -18238 -0.0010667 -0.00049527 0.00093339 6.4942e+05 2024-05-08 23:36:15,627 INFO [main.py:798]
{rank 0/64} MD step = 401100 step time: 00:00:00.161078 Performance: 65.669 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 23:36:23,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401100 80220 151.15 -1820.3 16566 -18386 -18386 -0.00072385 -0.00076671 0.000781 6.4956e+05 2024-05-08 23:36:40,144 INFO [main.py:798]
{rank 0/64} MD step = 401200 step time: 00:00:00.150500 Performance: 65.670 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 23:36:47,351 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 150.68 -2048.5 16515 -18564 -18564 -0.00079052 -0.00085243 0.00063813 6.4971e+05 2024-05-08 23:37:04,164 INFO [main.py:798]
{rank 0/64} MD step = 401300 step time: 00:00:00.165133 Performance: 65.671 ns/day 0.365 hours/ns 3.800 steps/s 2024-05-08 23:37:10,773 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 152.4 -1612 16703 -18315 -18315 -0.00060956 -0.00076195 0.00040002 6.4988e+05 2024-05-08 23:37:26,837 INFO [main.py:798]
{rank 0/64} MD step = 401400 step time: 00:00:00.155971 Performance: 65.674 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:37:34,020 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 151.73 -1714.4 16630 -18344 -18344 -0.00076195 -0.00064766 0.00024763 6.5006e+05 2024-05-08 23:37:50,413 INFO [main.py:798]
{rank 0/64} MD step = 401500 step time: 00:00:00.154361 Performance: 65.675 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:37:57,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401500 80300 150.61 -2135.3 16507 -18642 -18642 -0.00053336 -0.00058099 0.00068575 6.5018e+05 2024-05-08 23:38:12,725 INFO [main.py:798]
{rank 0/64} MD step = 401600 step time: 00:00:00.156695 Performance: 65.678 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:38:19,179 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 147.87 -2050.2 16207 -18257 -18257 -0.00061908 -0.00068575 0.0006667 6.5037e+05 2024-05-08 23:38:35,292 INFO [main.py:798]
{rank 0/64} MD step = 401700 step time: 00:00:00.151909 Performance: 65.680 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:38:43,705 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 153.51 -1365.2 16825 -18190 -18190 -0.00051431 -0.00064766 0.00030478 6.506e+05 2024-05-08 23:38:58,564 INFO [main.py:798]
{rank 0/64} MD step = 401800 step time: 00:00:00.153544 Performance: 65.682 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:39:04,827 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 149.26 -2111.3 16359 -18470 -18470 -0.00045717 -0.00030478 0.00076195 6.5074e+05 2024-05-08 23:39:20,780 INFO [main.py:798]
{rank 0/64} MD step = 401900 step time: 00:00:00.154688 Performance: 65.685 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:39:30,555 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 148.5 -2091.9 16275 -18367 -18367 -0.00055241 -0.00034288 0.00036193 6.5091e+05 2024-05-08 23:39:46,348 INFO [main.py:798]
{rank 0/64} MD step = 402000 step time: 00:00:00.166364 Performance: 65.685 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:39:53,309 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 147.81 -2097.8 16201 -18299 -18299 -0.0003524 -0.00045717 0.00060956 6.5111e+05 2024-05-08 23:40:09,045 INFO [main.py:798]
{rank 0/64} MD step = 402100 step time: 00:00:00.164395 Performance: 65.687 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:40:16,661 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 150.74 -1700.6 16521 -18221 -18221 -0.00095243 -0.00032383 0.00038097 6.5127e+05 2024-05-08 23:40:32,173 INFO [main.py:798]
{rank 0/64} MD step = 402200 step time: 00:00:00.155066 Performance: 65.689 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:40:47,720 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 148.14 -2191.2 16236 -18427 -18427 -0.00030478 -0.00068575 0.00060956 6.5144e+05 2024-05-08 23:41:03,849 INFO [main.py:798]
{rank 0/64} MD step = 402300 step time: 00:00:00.157965 Performance: 65.686 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:41:12,939 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 150.51 -2027.4 16496 -18524 -18524 -0.00086672 -0.00060956 0.00043812 6.5155e+05 2024-05-08 23:41:29,443 INFO [main.py:798]
{rank 0/64} MD step = 402400 step time: 00:00:00.158534 Performance: 65.686 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:41:36,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402400 80480 150.95 -1803.3 16544 -18347 -18347 -0.00043812 -0.00045717 0.0007429 6.517e+05 2024-05-08 23:41:52,678 INFO [main.py:798]
{rank 0/64} MD step = 402500 step time: 00:00:00.141655 Performance: 65.688 ns/day 0.365 hours/ns 3.801 steps/s 2024-05-08 23:41:58,769 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 152.6 -1523.6 16725 -18249 -18249 -0.00034288 -0.00049527 0.00041907 6.5185e+05 2024-05-08 23:42:14,517 INFO [main.py:798]
{rank 0/64} MD step = 402600 step time: 00:00:00.141458 Performance: 65.691 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 23:42:20,991 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 147.84 -2481.1 16203 -18684 -18684 -0.0007429 -0.00053336 0.00055241 6.5196e+05 2024-05-08 23:42:36,937 INFO [main.py:798]
{rank 0/64} MD step = 402700 step time: 00:00:00.152335 Performance: 65.694 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 23:42:43,650 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 149.9 -2168.3 16430 -18598 -18598 -0.00032383 -0.00087624 0.00038097 6.5212e+05 2024-05-08 23:42:59,137 INFO [main.py:798]
{rank 0/64} MD step = 402800 step time: 00:00:00.154637 Performance: 65.696 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 23:43:05,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402800 80560 152.57 -1830.3 16722 -18553 -18553 -0.00045717 -0.00073337 0.00060956 6.5228e+05 2024-05-08 23:43:21,222 INFO [main.py:798]
{rank 0/64} MD step = 402900 step time: 00:00:00.149118 Performance: 65.699 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 23:43:27,956 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 149.23 -2379.5 16355 -18735 -18735 -0.00049527 -0.00076195 0.00060956 6.5246e+05 2024-05-08 23:43:43,303 INFO [main.py:798]
{rank 0/64} MD step = 403000 step time: 00:00:00.150198 Performance: 65.701 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 23:43:49,297 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 148.7 -2186.8 16298 -18485 -18485 -0.00055241 -0.00047622 0.00091434 6.5262e+05 2024-05-08 23:44:05,392 INFO [main.py:798]
{rank 0/64} MD step = 403100 step time: 00:00:00.149549 Performance: 65.704 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 23:44:10,845 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 149.28 -2020.5 16361 -18382 -18382 -0.00083814 -0.00068575 0.00091434 6.5281e+05 2024-05-08 23:44:27,029 INFO [main.py:798]
{rank 0/64} MD step = 403200 step time: 00:00:00.149465 Performance: 65.707 ns/day 0.365 hours/ns 3.802 steps/s 2024-05-08 23:44:34,041 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 147.23 -2472.6 16137 -18609 -18609 -0.00059051 -0.00059051 0.00038097 6.5294e+05 2024-05-08 23:44:49,489 INFO [main.py:798]
{rank 0/64} MD step = 403300 step time: 00:00:00.147963 Performance: 65.709 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 23:44:55,912 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 148.8 -2009.2 16309 -18318 -18318 -0.00099053 -0.00022858 0.00038097 6.5309e+05 2024-05-08 23:45:11,742 INFO [main.py:798]
{rank 0/64} MD step = 403400 step time: 00:00:00.157585 Performance: 65.712 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 23:45:18,655 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 150.09 -2039.6 16450 -18490 -18490 -0.00068575 -0.00081909 0.00049527 6.5329e+05 2024-05-08 23:45:34,500 INFO [main.py:798]
{rank 0/64} MD step = 403500 step time: 00:00:00.146072 Performance: 65.714 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 23:45:40,913 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 148.02 -2228.7 16224 -18452 -18452 -0.00045717 -0.00053336 0.00045717 6.5343e+05 2024-05-08 23:45:57,215 INFO [main.py:798]
{rank 0/64} MD step = 403600 step time: 00:00:00.153776 Performance: 65.716 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 23:46:03,394 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 148.13 -2262.3 16235 -18498 -18498 -0.00045717 -0.00030478 0.00017144 6.5358e+05 2024-05-08 23:46:19,781 INFO [main.py:798]
{rank 0/64} MD step = 403700 step time: 00:00:00.162343 Performance: 65.718 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 23:46:25,536 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 150.46 -2048.2 16490 -18539 -18539 -0.00055241 -0.00091434 0.00034288 6.5374e+05 2024-05-08 23:46:41,339 INFO [main.py:798]
{rank 0/64} MD step = 403800 step time: 00:00:00.155956 Performance: 65.721 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 23:46:47,674 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 149.63 -2189 16400 -18589 -18589 -0.00049527 -0.00043812 0.00083814 6.5396e+05 2024-05-08 23:47:03,621 INFO [main.py:798]
{rank 0/64} MD step = 403900 step time: 00:00:00.162356 Performance: 65.724 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 23:47:11,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403900 80780 149.16 -2081.5 16348 -18429 -18429 -0.00047622 -0.00053336 0.00055241 6.5413e+05 2024-05-08 23:47:27,126 INFO [main.py:798]
{rank 0/64} MD step = 404000 step time: 00:00:00.159882 Performance: 65.726 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:47:36,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404000 80800 148.31 -2203.4 16255 -18458 -18458 -0.00059051 -0.00083814 0.00060956 6.5428e+05 2024-05-08 23:47:55,523 INFO [main.py:798]
{rank 0/64} MD step = 404100 step time: 00:00:00.148840 Performance: 65.724 ns/day 0.365 hours/ns 3.803 steps/s 2024-05-08 23:48:01,362 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 151.85 -1910.8 16643 -18554 -18554 -0.00053336 -0.0003524 0.00099053 6.5443e+05 2024-05-08 23:48:17,375 INFO [main.py:798]
{rank 0/64} MD step = 404200 step time: 00:00:00.153387 Performance: 65.727 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:48:25,077 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 149.08 -2014 16339 -18353 -18353 -0.00053336 -0.00034288 0.00051431 6.5455e+05 2024-05-08 23:48:41,271 INFO [main.py:798]
{rank 0/64} MD step = 404300 step time: 00:00:00.140177 Performance: 65.728 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:48:49,505 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 150.05 -2048.7 16445 -18494 -18494 -0.0004286 -0.00091434 0.00049527 6.5474e+05 2024-05-08 23:49:05,474 INFO [main.py:798]
{rank 0/64} MD step = 404400 step time: 00:00:00.147638 Performance: 65.730 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:49:14,779 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 150.93 -1800.7 16543 -18343 -18343 -0.00049527 -0.00079052 0.00034288 6.5489e+05 2024-05-08 23:49:30,683 INFO [main.py:798]
{rank 0/64} MD step = 404500 step time: 00:00:00.149658 Performance: 65.730 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:49:37,046 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 150.57 -1836.3 16502 -18339 -18339 -0.00076195 -0.0004286 0.00095243 6.5502e+05 2024-05-08 23:49:53,585 INFO [main.py:798]
{rank 0/64} MD step = 404600 step time: 00:00:00.153715 Performance: 65.733 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:50:08,128 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 151.01 -1830 16551 -18381 -18381 -0.00030478 -0.00079052 0.00047622 6.5519e+05 2024-05-08 23:50:24,360 INFO [main.py:798]
{rank 0/64} MD step = 404700 step time: 00:00:00.160142 Performance: 65.730 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:50:37,096 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 147.96 -2382.1 16217 -18599 -18599 -0.00053336 -0.00083814 0.00087624 6.5535e+05 2024-05-08 23:50:52,599 INFO [main.py:798]
{rank 0/64} MD step = 404800 step time: 00:00:00.161726 Performance: 65.729 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:51:03,430 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 152.05 -2004.1 16665 -18669 -18669 -0.00082862 -0.00043812 0.00099053 6.555e+05 2024-05-08 23:51:21,052 INFO [main.py:798]
{rank 0/64} MD step = 404900 step time: 00:00:00.162097 Performance: 65.727 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:51:26,409 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 151.46 -1880.9 16600 -18481 -18481 -0.00083814 -0.00048574 0.00049527 6.5571e+05 2024-05-08 23:51:44,274 INFO [main.py:798]
{rank 0/64} MD step = 405000 step time: 00:00:00.151626 Performance: 65.729 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:51:52,720 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 149.47 -1794.2 16383 -18177 -18177 -0.00058099 -0.00053336 0.00022858 6.5586e+05 2024-05-08 23:52:08,788 INFO [main.py:798]
{rank 0/64} MD step = 405100 step time: 00:00:00.153241 Performance: 65.730 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:52:16,258 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 149.25 -1989.2 16358 -18348 -18348 -0.00083814 -0.00040955 0.00068575 6.5598e+05 2024-05-08 23:52:32,192 INFO [main.py:798]
{rank 0/64} MD step = 405200 step time: 00:00:00.151424 Performance: 65.732 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:52:38,568 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 150.74 -1744 16522 -18266 -18266 -0.00064766 -0.00041907 0.00081909 6.5617e+05 2024-05-08 23:52:55,026 INFO [main.py:798]
{rank 0/64} MD step = 405300 step time: 00:00:00.158522 Performance: 65.734 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:53:02,364 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 149.41 -1867.3 16375 -18242 -18242 -0.00053336 -0.00060956 0.00091434 6.5632e+05 2024-05-08 23:53:18,235 INFO [main.py:798]
{rank 0/64} MD step = 405400 step time: 00:00:00.163048 Performance: 65.736 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:53:25,713 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 148.38 -2219.6 16262 -18482 -18482 -0.00041907 -0.00045717 0.00087624 6.564e+05 2024-05-08 23:53:41,450 INFO [main.py:798]
{rank 0/64} MD step = 405500 step time: 00:00:00.160661 Performance: 65.738 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:53:47,395 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 147.95 -2219.1 16215 -18434 -18434 -0.00053336 -0.00059051 0.00068575 6.5661e+05 2024-05-08 23:54:02,841 INFO [main.py:798]
{rank 0/64} MD step = 405600 step time: 00:00:00.154810 Performance: 65.741 ns/day 0.365 hours/ns 3.804 steps/s 2024-05-08 23:54:09,444 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 150.08 -1751.5 16449 -18200 -18200 -0.00068575 -0.00060956 0.00072385 6.5679e+05 2024-05-08 23:54:25,116 INFO [main.py:798]
{rank 0/64} MD step = 405700 step time: 00:00:00.159134 Performance: 65.743 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 23:54:31,870 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 149.66 -2119.7 16403 -18522 -18522 -0.00053336 -0.00095243 0.0007048 6.5697e+05 2024-05-08 23:54:47,281 INFO [main.py:798]
{rank 0/64} MD step = 405800 step time: 00:00:00.153706 Performance: 65.746 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 23:54:54,264 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 149.76 -2119.6 16414 -18534 -18534 -0.00083814 -0.00081909 0.00060956 6.5709e+05 2024-05-08 23:55:09,808 INFO [main.py:798]
{rank 0/64} MD step = 405900 step time: 00:00:00.165923 Performance: 65.748 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 23:55:15,470 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 151.12 -1938.4 16563 -18501 -18501 -0.00068575 -0.00048574 0.00065718 6.5724e+05 2024-05-08 23:55:32,692 INFO [main.py:798]
{rank 0/64} MD step = 406000 step time: 00:00:00.156931 Performance: 65.750 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 23:55:41,062 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 147.68 -2166.4 16186 -18352 -18352 -0.00064766 -0.00063337 0.00029525 6.5744e+05 2024-05-08 23:55:56,517 INFO [main.py:798]
{rank 0/64} MD step = 406100 step time: 00:00:00.157208 Performance: 65.752 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 23:56:05,720 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 151.56 -1819.9 16612 -18432 -18432 -0.00059051 -0.00072385 0.00099053 6.5755e+05 2024-05-08 23:56:21,208 INFO [main.py:798]
{rank 0/64} MD step = 406200 step time: 00:00:00.162953 Performance: 65.753 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 23:56:26,456 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 150.27 -2062.6 16470 -18532 -18532 -0.00045717 -0.00083814 0.00099053 6.5772e+05 2024-05-08 23:56:42,408 INFO [main.py:798]
{rank 0/64} MD step = 406300 step time: 00:00:00.158665 Performance: 65.756 ns/day 0.365 hours/ns 3.805 steps/s 2024-05-08 23:56:47,867 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 149.6 -1874 16397 -18271 -18271 -0.00053336 -0.00071909 0.00037145 6.5789e+05 2024-05-08 23:57:03,702 INFO [main.py:798]
{rank 0/64} MD step = 406400 step time: 00:00:00.158510 Performance: 65.759 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 23:57:09,772 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 148.05 -2107.7 16227 -18334 -18334 -0.00072385 -0.00053336 0.00068575 6.5806e+05 2024-05-08 23:57:25,797 INFO [main.py:798]
{rank 0/64} MD step = 406500 step time: 00:00:00.163291 Performance: 65.762 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 23:57:32,482 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 149.07 -2135 16339 -18474 -18474 -0.00053336 -0.00088576 0.00085719 6.5821e+05 2024-05-08 23:57:48,452 INFO [main.py:798]
{rank 0/64} MD step = 406600 step time: 00:00:00.158284 Performance: 65.764 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 23:57:54,943 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 148.59 -2091.4 16285 -18377 -18377 -0.00065718 -0.00047622 0.00047622 6.5843e+05 2024-05-08 23:58:10,678 INFO [main.py:798]
{rank 0/64} MD step = 406700 step time: 00:00:00.157115 Performance: 65.766 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 23:58:16,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406700 81340 149.73 -2066.2 16411 -18477 -18477 -0.00089529 -0.0007048 0.00051431 6.5857e+05 2024-05-08 23:58:32,634 INFO [main.py:798]
{rank 0/64} MD step = 406800 step time: 00:00:00.149504 Performance: 65.769 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 23:58:37,311 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 151.32 -1661.5 16585 -18247 -18247 -0.00083814 -0.00043812 0.00072385 6.587e+05 2024-05-08 23:58:54,438 INFO [main.py:798]
{rank 0/64} MD step = 406900 step time: 00:00:00.143655 Performance: 65.772 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 23:59:00,775 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 148.38 -2182.9 16263 -18445 -18445 -0.00087624 -0.00072385 0.00087624 6.5882e+05 2024-05-08 23:59:16,514 INFO [main.py:798]
{rank 0/64} MD step = 407000 step time: 00:00:00.155620 Performance: 65.774 ns/day 0.365 hours/ns 3.806 steps/s 2024-05-08 23:59:22,086 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 151.03 -1964.5 16553 -18517 -18517 -0.00088576 -0.00041907 0.00080005 6.5896e+05 2024-05-08 23:59:37,603 INFO [main.py:798]
{rank 0/64} MD step = 407100 step time: 00:00:00.160348 Performance: 65.778 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-08 23:59:43,172 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 150.06 -1781.8 16446 -18228 -18228 -0.00087624 -0.00057146 0.00047622 6.5913e+05 2024-05-08 23:59:58,463 INFO [main.py:798]
{rank 0/64} MD step = 407200 step time: 00:00:00.154638 Performance: 65.781 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:00:03,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407200 81440 149.33 -1834.9 16367 -18202 -18202 -0.00072385 -0.00064766 0.00040002 6.5928e+05 2024-05-09 00:00:19,266 INFO [main.py:798]
{rank 0/64} MD step = 407300 step time: 00:00:00.148277 Performance: 65.784 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:00:31,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407300 81460 148.46 -2200.2 16271 -18471 -18471 -0.0003524 -0.00076195 0.00057146 6.5939e+05 2024-05-09 00:00:50,699 INFO [main.py:798]
{rank 0/64} MD step = 407400 step time: 00:00:00.162366 Performance: 65.781 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:00:57,409 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 150.78 -1768.9 16526 -18295 -18295 -0.00038097 -0.00053336 0.00030478 6.5959e+05 2024-05-09 00:01:13,442 INFO [main.py:798]
{rank 0/64} MD step = 407500 step time: 00:00:00.163578 Performance: 65.783 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:01:21,486 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 150.97 -1646.1 16547 -18193 -18193 -0.00072385 -0.00041907 0.000781 6.5973e+05 2024-05-09 00:01:38,304 INFO [main.py:798]
{rank 0/64} MD step = 407600 step time: 00:00:00.137759 Performance: 65.784 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:01:48,263 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 151.11 -1654.8 16562 -18217 -18217 -0.00045717 -0.00076195 0.00026668 6.599e+05 2024-05-09 00:02:04,187 INFO [main.py:798]
{rank 0/64} MD step = 407700 step time: 00:00:00.166720 Performance: 65.784 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:02:10,337 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 149.39 -1957 16373 -18330 -18330 -0.00080005 -0.00068575 0.00030478 6.6006e+05 2024-05-09 00:02:25,691 INFO [main.py:798]
{rank 0/64} MD step = 407800 step time: 00:00:00.172414 Performance: 65.787 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:02:31,734 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 150.68 -1686.2 16515 -18201 -18201 -0.00045717 -0.0006667 0.0007429 6.6021e+05 2024-05-09 00:02:46,886 INFO [main.py:798]
{rank 0/64} MD step = 407900 step time: 00:00:00.162982 Performance: 65.790 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:02:55,719 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 151.1 -1845.4 16561 -18407 -18407 -0.00057146 -0.00073337 0.00060956 6.6035e+05 2024-05-09 00:03:11,556 INFO [main.py:798]
{rank 0/64} MD step = 408000 step time: 00:00:00.159463 Performance: 65.791 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:03:19,807 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 147.83 -2039.5 16203 -18242 -18242 -0.00043812 -0.00040955 0.00080957 6.6057e+05 2024-05-09 00:03:35,918 INFO [main.py:798]
{rank 0/64} MD step = 408100 step time: 00:00:00.158371 Performance: 65.792 ns/day 0.365 hours/ns 3.807 steps/s 2024-05-09 00:03:41,511 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 148.18 -1941.9 16241 -18183 -18183 -0.00072385 -0.00033811 0.00047622 6.607e+05 2024-05-09 00:03:59,544 INFO [main.py:798]
{rank 0/64} MD step = 408200 step time: 00:00:00.156984 Performance: 65.794 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-09 00:04:06,348 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 150.29 -1896.8 16472 -18368 -18368 -0.00093339 -0.00062861 0.00076195 6.6091e+05 2024-05-09 00:04:21,708 INFO [main.py:798]
{rank 0/64} MD step = 408300 step time: 00:00:00.166700 Performance: 65.797 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-09 00:04:27,490 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 152.09 -1605.6 16669 -18275 -18275 -0.00083814 -0.00091434 0.00089529 6.6106e+05 2024-05-09 00:04:42,915 INFO [main.py:798]
{rank 0/64} MD step = 408400 step time: 00:00:00.147410 Performance: 65.800 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-09 00:04:48,657 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 149.84 -2166.2 16423 -18589 -18589 -0.00045717 -0.00087624 0.00091434 6.6114e+05 2024-05-09 00:05:04,888 INFO [main.py:798]
{rank 0/64} MD step = 408500 step time: 00:00:00.141121 Performance: 65.802 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-09 00:05:10,447 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 150 -2178.3 16440 -18618 -18618 -0.00067623 -0.00053336 0.00053336 6.6129e+05 2024-05-09 00:05:27,043 INFO [main.py:798]
{rank 0/64} MD step = 408600 step time: 00:00:00.159914 Performance: 65.805 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-09 00:05:33,110 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 149.19 -2116.3 16351 -18467 -18467 -0.00045717 -0.000781 0.00043812 6.6143e+05 2024-05-09 00:05:49,196 INFO [main.py:798]
{rank 0/64} MD step = 408700 step time: 00:00:00.155111 Performance: 65.807 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-09 00:05:54,723 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 148.66 -1977.5 16293 -18271 -18271 -0.00051431 -0.00034288 0.00041907 6.616e+05 2024-05-09 00:06:11,660 INFO [main.py:798]
{rank 0/64} MD step = 408800 step time: 00:00:00.158233 Performance: 65.810 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-09 00:06:18,918 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 151.35 -1727.5 16589 -18316 -18316 -0.00062861 -0.00064766 0.00045717 6.6175e+05 2024-05-09 00:06:35,391 INFO [main.py:798]
{rank 0/64} MD step = 408900 step time: 00:00:00.166517 Performance: 65.811 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:06:45,921 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 151.62 -1619.2 16618 -18237 -18237 -0.00051431 -0.00028573 0.00062861 6.6191e+05 2024-05-09 00:07:04,168 INFO [main.py:798]
{rank 0/64} MD step = 409000 step time: 00:00:00.150070 Performance: 65.810 ns/day 0.365 hours/ns 3.808 steps/s 2024-05-09 00:07:09,846 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 150.03 -1841.5 16443 -18285 -18285 -0.00062861 -0.00060956 0.00063813 6.6201e+05 2024-05-09 00:07:25,606 INFO [main.py:798]
{rank 0/64} MD step = 409100 step time: 00:00:00.149834 Performance: 65.813 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:07:32,006 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 151.1 -1734.5 16561 -18295 -18295 -0.00062861 -0.00034288 0.00038097 6.6217e+05 2024-05-09 00:07:47,962 INFO [main.py:798]
{rank 0/64} MD step = 409200 step time: 00:00:00.135575 Performance: 65.815 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:07:54,100 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 148.7 -2203.4 16298 -18502 -18502 -0.00027621 -0.00076195 0.00053336 6.6233e+05 2024-05-09 00:08:09,449 INFO [main.py:798]
{rank 0/64} MD step = 409300 step time: 00:00:00.166151 Performance: 65.818 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:08:18,081 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 148.94 -2084 16324 -18408 -18408 -0.00062861 -0.00060956 0.0006667 6.625e+05 2024-05-09 00:08:33,529 INFO [main.py:798]
{rank 0/64} MD step = 409400 step time: 00:00:00.141136 Performance: 65.819 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:08:40,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409400 81880 151.68 -1684.4 16624 -18308 -18308 -0.00049527 -0.00076195 0.00060956 6.6264e+05 2024-05-09 00:08:56,678 INFO [main.py:798]
{rank 0/64} MD step = 409500 step time: 00:00:00.156288 Performance: 65.821 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:09:02,776 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 151.27 -1883.9 16579 -18463 -18463 -0.00064766 -0.0003524 0.00057146 6.6283e+05 2024-05-09 00:09:18,569 INFO [main.py:798]
{rank 0/64} MD step = 409600 step time: 00:00:00.160531 Performance: 65.824 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:09:28,230 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 151.34 -1837.3 16587 -18425 -18425 -0.0010477 -0.0006667 0.0007048 6.6298e+05 2024-05-09 00:09:44,581 INFO [main.py:798]
{rank 0/64} MD step = 409700 step time: 00:00:00.150060 Performance: 65.824 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:09:51,294 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 151.7 -1829 16626 -18455 -18455 -0.00057146 -0.00085719 0.000781 6.631e+05 2024-05-09 00:10:07,491 INFO [main.py:798]
{rank 0/64} MD step = 409800 step time: 00:00:00.152386 Performance: 65.826 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:10:13,827 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 148.76 -1979.5 16305 -18284 -18284 -0.00076195 -0.00057146 0.00059051 6.6329e+05 2024-05-09 00:10:29,914 INFO [main.py:798]
{rank 0/64} MD step = 409900 step time: 00:00:00.156161 Performance: 65.828 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:10:37,192 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 149.63 -2009 16399 -18409 -18409 -0.00057146 -0.00053336 0.00057146 6.6345e+05 2024-05-09 00:10:52,828 INFO [main.py:798]
{rank 0/64} MD step = 410000 step time: 00:00:00.142350 Performance: 65.830 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:10:59,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410000 82000 149.47 -1956 16382 -18338 -18338 -0.00087624 -0.00062861 0.00076195 6.636e+05 2024-05-09 00:11:15,909 INFO [main.py:798]
{rank 0/64} MD step = 410100 step time: 00:00:00.158704 Performance: 65.832 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:11:37,284 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 150.58 -1941.3 16504 -18445 -18445 -0.00040002 -0.00024763 0.00045717 6.638e+05 2024-05-09 00:11:57,742 INFO [main.py:798]
{rank 0/64} MD step = 410200 step time: 00:00:00.155451 Performance: 65.823 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:12:04,402 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 145.49 -2528.3 15946 -18474 -18474 -0.00057146 -0.00072385 0.00057146 6.6392e+05 2024-05-09 00:12:19,650 INFO [main.py:798]
{rank 0/64} MD step = 410300 step time: 00:00:00.147681 Performance: 65.826 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:12:26,150 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 151.82 -1819.7 16639 -18459 -18459 -0.00069528 -0.00075719 0.00036193 6.6411e+05 2024-05-09 00:12:41,597 INFO [main.py:798]
{rank 0/64} MD step = 410400 step time: 00:00:00.154530 Performance: 65.828 ns/day 0.365 hours/ns 3.809 steps/s 2024-05-09 00:12:48,496 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 150.85 -1921 16533 -18454 -18454 -0.00062861 -0.00049527 0.00060956 6.6429e+05 2024-05-09 00:13:03,868 INFO [main.py:798]
{rank 0/64} MD step = 410500 step time: 00:00:00.149352 Performance: 65.831 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:13:08,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410500 82100 151.86 -1842.5 16644 -18486 -18486 -0.00095243 -0.00068575 0.00072385 6.6445e+05 2024-05-09 00:13:29,924 INFO [main.py:798]
{rank 0/64} MD step = 410600 step time: 00:00:00.157767 Performance: 65.831 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:13:36,051 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 150.06 -1771.4 16447 -18218 -18218 -0.0010286 -0.00053336 0.00019049 6.6467e+05 2024-05-09 00:13:51,823 INFO [main.py:798]
{rank 0/64} MD step = 410700 step time: 00:00:00.160618 Performance: 65.833 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:13:57,635 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 150.58 -1861.8 16504 -18365 -18365 -0.00054289 -0.00060956 0.00076195 6.6484e+05 2024-05-09 00:14:13,632 INFO [main.py:798]
{rank 0/64} MD step = 410800 step time: 00:00:00.153560 Performance: 65.836 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:14:18,836 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 149.48 -1759.7 16383 -18143 -18143 -0.00038097 -0.00083814 0.00095243 6.6504e+05 2024-05-09 00:14:34,936 INFO [main.py:798]
{rank 0/64} MD step = 410900 step time: 00:00:00.142942 Performance: 65.839 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:14:39,903 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 150.46 -2087.4 16491 -18578 -18578 -0.00051431 -0.00076195 0.00040002 6.6516e+05 2024-05-09 00:14:56,049 INFO [main.py:798]
{rank 0/64} MD step = 411000 step time: 00:00:00.154351 Performance: 65.842 ns/day 0.365 hours/ns 3.810 steps/s 2024-05-09 00:15:02,946 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 148.84 -1899 16314 -18213 -18213 -0.00062861 -0.00060956 0.00089529 6.6536e+05 2024-05-09 00:15:19,271 INFO [main.py:798]
{rank 0/64} MD step = 411100 step time: 00:00:00.159005 Performance: 65.844 ns/day 0.364 hours/ns 3.810 steps/s 2024-05-09 00:15:23,671 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 148.28 -2075.5 16251 -18327 -18327 -0.00026668 -0.00024763 0.00041907 6.6555e+05 2024-05-09 00:15:41,298 INFO [main.py:798]
{rank 0/64} MD step = 411200 step time: 00:00:00.152941 Performance: 65.847 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-09 00:15:47,020 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 148.39 -2106.6 16264 -18370 -18370 -0.00030478 -0.00064766 0.00080005 6.6569e+05 2024-05-09 00:16:03,221 INFO [main.py:798]
{rank 0/64} MD step = 411300 step time: 00:00:00.156512 Performance: 65.849 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-09 00:16:08,388 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 150.64 -1908 16510 -18418 -18418 -0.00074766 -0.00030478 0.0006048 6.6585e+05 2024-05-09 00:16:24,745 INFO [main.py:798]
{rank 0/64} MD step = 411400 step time: 00:00:00.154910 Performance: 65.852 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-09 00:16:31,440 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 150.82 -1941.2 16530 -18471 -18471 -0.00099053 -0.00095243 0.00069528 6.66e+05 2024-05-09 00:16:47,520 INFO [main.py:798]
{rank 0/64} MD step = 411500 step time: 00:00:00.150717 Performance: 65.854 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-09 00:16:53,297 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 148.92 -1880.7 16322 -18202 -18202 -0.00038097 -0.00081909 0.00091434 6.6618e+05 2024-05-09 00:17:09,314 INFO [main.py:798]
{rank 0/64} MD step = 411600 step time: 00:00:00.151751 Performance: 65.857 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-09 00:17:15,469 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 149.55 -1825.4 16391 -18216 -18216 -0.00040002 -0.00064766 0.00036907 6.6639e+05 2024-05-09 00:17:31,165 INFO [main.py:798]
{rank 0/64} MD step = 411700 step time: 00:00:00.142681 Performance: 65.860 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-09 00:17:37,460 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 150.72 -1873.9 16519 -18393 -18393 -0.00091434 -0.00073814 0.00034288 6.6648e+05 2024-05-09 00:17:53,466 INFO [main.py:798]
{rank 0/64} MD step = 411800 step time: 00:00:00.145824 Performance: 65.862 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-09 00:18:01,132 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 152.4 -1587.9 16703 -18291 -18291 -0.00030478 -0.00051431 0.00038097 6.6671e+05 2024-05-09 00:18:16,777 INFO [main.py:798]
{rank 0/64} MD step = 411900 step time: 00:00:00.152747 Performance: 65.864 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:18:31,929 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 148.67 -2006.1 16294 -18300 -18300 -0.00064766 -0.00034288 0.00095243 6.6684e+05 2024-05-09 00:18:47,628 INFO [main.py:798]
{rank 0/64} MD step = 412000 step time: 00:00:00.160381 Performance: 65.861 ns/day 0.364 hours/ns 3.811 steps/s 2024-05-09 00:18:54,477 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 150.06 -1793.9 16447 -18240 -18240 -0.00083814 -0.00060003 0.00075242 6.6701e+05 2024-05-09 00:19:10,074 INFO [main.py:798]
{rank 0/64} MD step = 412100 step time: 00:00:00.159702 Performance: 65.863 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:19:15,567 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 149.05 -2154.1 16336 -18491 -18491 -0.00044764 -0.00068575 0.00068575 6.6716e+05 2024-05-09 00:19:31,279 INFO [main.py:798]
{rank 0/64} MD step = 412200 step time: 00:00:00.155699 Performance: 65.866 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:19:37,521 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 149.54 -1901.2 16390 -18291 -18291 -0.00060956 -0.00030478 0.00068575 6.6737e+05 2024-05-09 00:19:53,259 INFO [main.py:798]
{rank 0/64} MD step = 412300 step time: 00:00:00.153700 Performance: 65.869 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:19:59,112 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 150.54 -2002.8 16500 -18502 -18502 -0.00060956 -0.00076195 0.00041907 6.6752e+05 2024-05-09 00:20:14,988 INFO [main.py:798]
{rank 0/64} MD step = 412400 step time: 00:00:00.150172 Performance: 65.872 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:20:21,749 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 149.35 -2032.1 16368 -18401 -18401 -0.00072385 -0.00081909 0.00059051 6.6767e+05 2024-05-09 00:20:37,789 INFO [main.py:798]
{rank 0/64} MD step = 412500 step time: 00:00:00.152555 Performance: 65.874 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:20:43,915 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 148.12 -2300.1 16234 -18534 -18534 -0.00083814 -0.00072385 0.00041907 6.6784e+05 2024-05-09 00:20:59,642 INFO [main.py:798]
{rank 0/64} MD step = 412600 step time: 00:00:00.142587 Performance: 65.876 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:21:14,145 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 150.15 -2056.6 16457 -18513 -18513 -0.00076195 -0.00093339 0.00024763 6.6801e+05 2024-05-09 00:21:33,453 INFO [main.py:798]
{rank 0/64} MD step = 412700 step time: 00:00:00.150160 Performance: 65.872 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:21:40,598 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 151.4 -1814.9 16593 -18408 -18408 -0.00055241 -0.0003143 0.00019049 6.6817e+05 2024-05-09 00:21:56,099 INFO [main.py:798]
{rank 0/64} MD step = 412800 step time: 00:00:00.153718 Performance: 65.874 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:22:01,267 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 150.41 -2193.5 16485 -18679 -18679 -0.00041907 -0.00045717 0.0003524 6.6832e+05 2024-05-09 00:22:17,332 INFO [main.py:798]
{rank 0/64} MD step = 412900 step time: 00:00:00.151330 Performance: 65.877 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:22:24,153 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 150.02 -1790.2 16443 -18233 -18233 -0.00099053 -0.00096196 0.00080005 6.6854e+05 2024-05-09 00:22:40,218 INFO [main.py:798]
{rank 0/64} MD step = 413000 step time: 00:00:00.157712 Performance: 65.879 ns/day 0.364 hours/ns 3.812 steps/s 2024-05-09 00:22:46,428 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 149.55 -2031.7 16391 -18423 -18423 -0.00038097 -0.00072385 0.00047622 6.687e+05 2024-05-09 00:23:01,879 INFO [main.py:798]
{rank 0/64} MD step = 413100 step time: 00:00:00.157551 Performance: 65.882 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-09 00:23:07,538 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 149.83 -2074.1 16421 -18495 -18495 -0.00053336 -0.00099053 0.00072385 6.6888e+05 2024-05-09 00:23:23,690 INFO [main.py:798]
{rank 0/64} MD step = 413200 step time: 00:00:00.159404 Performance: 65.885 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-09 00:23:28,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413200 82640 149.85 -1995.9 16424 -18420 -18420 -0.00076195 -0.00060956 0.00060956 6.6905e+05 2024-05-09 00:23:45,345 INFO [main.py:798]
{rank 0/64} MD step = 413300 step time: 00:00:00.161247 Performance: 65.887 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-09 00:23:52,273 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 149.78 -2002.7 16416 -18419 -18419 -0.00060956 -0.00071433 0.00048574 6.6922e+05 2024-05-09 00:24:07,905 INFO [main.py:798]
{rank 0/64} MD step = 413400 step time: 00:00:00.156051 Performance: 65.890 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-09 00:24:13,588 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 148.32 -2292.7 16256 -18549 -18549 -0.00036193 -0.00060956 0.00047622 6.6934e+05 2024-05-09 00:24:29,415 INFO [main.py:798]
{rank 0/64} MD step = 413500 step time: 00:00:00.153775 Performance: 65.892 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-09 00:24:34,988 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 148.51 -2387.5 16277 -18664 -18664 -0.00032383 -0.00088576 0.00057146 6.695e+05 2024-05-09 00:24:51,211 INFO [main.py:798]
{rank 0/64} MD step = 413600 step time: 00:00:00.153975 Performance: 65.895 ns/day 0.364 hours/ns 3.813 steps/s 2024-05-09 00:24:56,280 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 150.56 -1990.8 16502 -18492 -18492 -0.00041907 -0.00085719 0.00040002 6.697e+05 2024-05-09 00:25:13,810 INFO [main.py:798]
{rank 0/64} MD step = 413700 step time: 00:00:00.158250 Performance: 65.897 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-09 00:25:20,322 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 152.33 -1832.4 16695 -18528 -18528 -0.0010667 -0.00076195 -0.00038097 6.699e+05 2024-05-09 00:25:36,286 INFO [main.py:798]
{rank 0/64} MD step = 413800 step time: 00:00:00.168703 Performance: 65.900 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-09 00:25:41,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413800 82760 147.93 -2268 16214 -18482 -18482 -0.00080005 -0.00072385 -0.00020954 6.7009e+05 2024-05-09 00:25:59,096 INFO [main.py:798]
{rank 0/64} MD step = 413900 step time: 00:00:00.156732 Performance: 65.902 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-09 00:26:06,034 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 148.49 -2265.8 16274 -18540 -18540 -0.00072385 -0.00049527 0.00082386 6.7029e+05 2024-05-09 00:26:23,527 INFO [main.py:798]
{rank 0/64} MD step = 414000 step time: 00:00:00.154662 Performance: 65.903 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-09 00:26:28,459 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 149.23 -2508 16355 -18863 -18863 -0.00047622 -0.00062861 0.00049527 6.7038e+05 2024-05-09 00:26:44,749 INFO [main.py:798]
{rank 0/64} MD step = 414100 step time: 00:00:00.158425 Performance: 65.906 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-09 00:26:50,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414100 82820 150.82 -2082.4 16530 -18613 -18613 -0.00087624 -0.00083814 0.00068575 6.7057e+05 2024-05-09 00:27:05,843 INFO [main.py:798]
{rank 0/64} MD step = 414200 step time: 00:00:00.149505 Performance: 65.909 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-09 00:27:12,373 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 148.72 -2088.5 16300 -18389 -18389 -0.00096196 -0.00053336 0.00053336 6.7078e+05 2024-05-09 00:27:28,500 INFO [main.py:798]
{rank 0/64} MD step = 414300 step time: 00:00:00.155505 Performance: 65.911 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-09 00:27:35,165 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 148.65 -2166.9 16292 -18459 -18459 -0.00059051 -0.00041907 0.00038097 6.709e+05 2024-05-09 00:27:51,396 INFO [main.py:798]
{rank 0/64} MD step = 414400 step time: 00:00:00.158941 Performance: 65.913 ns/day 0.364 hours/ns 3.814 steps/s 2024-05-09 00:27:56,949 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 150.57 -2011.3 16503 -18514 -18514 -0.00041907 -0.00072385 0.00064766 6.7107e+05 2024-05-09 00:28:12,996 INFO [main.py:798]
{rank 0/64} MD step = 414500 step time: 00:00:00.148656 Performance: 65.916 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-09 00:28:18,558 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 153 -1676.2 16769 -18445 -18445 -0.00064766 -0.0007429 0.00041907 6.7119e+05 2024-05-09 00:28:34,750 INFO [main.py:798]
{rank 0/64} MD step = 414600 step time: 00:00:00.150446 Performance: 65.919 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-09 00:28:40,530 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 150.04 -1894.6 16445 -18340 -18340 -0.00045717 -0.00072385 0.00064766 6.7137e+05 2024-05-09 00:28:56,997 INFO [main.py:798]
{rank 0/64} MD step = 414700 step time: 00:00:00.152048 Performance: 65.921 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-09 00:29:04,163 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 150.77 -1957.2 16525 -18482 -18482 -0.00068575 -0.00089529 0.00041907 6.7151e+05 2024-05-09 00:29:20,205 INFO [main.py:798]
{rank 0/64} MD step = 414800 step time: 00:00:00.143799 Performance: 65.923 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-09 00:29:26,910 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 150.98 -1909 16547 -18456 -18456 -0.00087624 -0.00080005 0.00038097 6.7169e+05 2024-05-09 00:29:43,002 INFO [main.py:798]
{rank 0/64} MD step = 414900 step time: 00:00:00.144982 Performance: 65.925 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-09 00:29:48,730 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 151.88 -1737.4 16647 -18384 -18384 -0.00022858 -0.00041907 0.00090481 6.718e+05 2024-05-09 00:30:04,819 INFO [main.py:798]
{rank 0/64} MD step = 415000 step time: 00:00:00.145242 Performance: 65.928 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-09 00:30:10,559 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 147.47 -2377.9 16163 -18541 -18541 -0.00048574 -0.00036193 0.00045717 6.7195e+05 2024-05-09 00:30:29,073 INFO [main.py:798]
{rank 0/64} MD step = 415100 step time: 00:00:00.137583 Performance: 65.929 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-09 00:30:36,028 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 150.54 -1873.3 16500 -18373 -18373 -0.00024763 -0.00037145 0.00087624 6.7209e+05 2024-05-09 00:30:51,974 INFO [main.py:798]
{rank 0/64} MD step = 415200 step time: 00:00:00.157317 Performance: 65.931 ns/day 0.364 hours/ns 3.815 steps/s 2024-05-09 00:30:58,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415200 83040 149.44 -1902.9 16379 -18282 -18282 -0.00057146 -0.00068575 0.00053336 6.7227e+05 2024-05-09 00:31:13,589 INFO [main.py:798]
{rank 0/64} MD step = 415300 step time: 00:00:00.154232 Performance: 65.934 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:31:20,170 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 148.53 -1948.6 16279 -18227 -18227 -0.0004286 -0.00053336 0.00095243 6.7239e+05 2024-05-09 00:31:38,926 INFO [main.py:798]
{rank 0/64} MD step = 415400 step time: 00:00:00.148541 Performance: 65.934 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:31:44,291 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 151.89 -1843 16648 -18491 -18491 -0.00038097 -0.00030478 0.00040002 6.7253e+05 2024-05-09 00:32:00,784 INFO [main.py:798]
{rank 0/64} MD step = 415500 step time: 00:00:00.157208 Performance: 65.937 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:32:06,911 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 149.41 -2171.8 16376 -18548 -18548 -0.00085719 -0.00040955 0.00036193 6.7268e+05 2024-05-09 00:32:23,305 INFO [main.py:798]
{rank 0/64} MD step = 415600 step time: 00:00:00.149871 Performance: 65.939 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:32:29,179 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 149.23 -2141.8 16355 -18497 -18497 -0.00057146 -0.00060956 0.00061908 6.7287e+05 2024-05-09 00:32:45,365 INFO [main.py:798]
{rank 0/64} MD step = 415700 step time: 00:00:00.153606 Performance: 65.941 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:32:50,076 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 149.36 -2056.6 16370 -18427 -18427 -0.00076195 -0.00068575 0 6.7303e+05 2024-05-09 00:33:07,252 INFO [main.py:798]
{rank 0/64} MD step = 415800 step time: 00:00:00.160795 Performance: 65.944 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:33:15,103 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 152.58 -1843.6 16723 -18567 -18567 -0.00087624 -0.00053336 0.00036193 6.732e+05 2024-05-09 00:33:31,204 INFO [main.py:798]
{rank 0/64} MD step = 415900 step time: 00:00:00.152986 Performance: 65.945 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:33:40,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415900 83180 148.28 -2325.1 16251 -18576 -18576 -0.00091434 -0.00051431 0.00051431 6.7338e+05 2024-05-09 00:33:56,680 INFO [main.py:798]
{rank 0/64} MD step = 416000 step time: 00:00:00.152503 Performance: 65.946 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:34:05,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416000 83200 150.4 -1791.8 16484 -18275 -18275 -0.00041907 -0.00084767 0.0010429 6.7357e+05 2024-05-09 00:34:21,401 INFO [main.py:798]
{rank 0/64} MD step = 416100 step time: 00:00:00.144473 Performance: 65.947 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:34:30,633 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 153.36 -1626.3 16808 -18434 -18434 -0.00055241 -0.00053336 0.00091434 6.7373e+05 2024-05-09 00:34:45,930 INFO [main.py:798]
{rank 0/64} MD step = 416200 step time: 00:00:00.137208 Performance: 65.948 ns/day 0.364 hours/ns 3.816 steps/s 2024-05-09 00:34:53,220 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 152.03 -1829.4 16663 -18492 -18492 -0.00053336 -0.00060956 0.00057146 6.739e+05 2024-05-09 00:35:09,081 INFO [main.py:798]
{rank 0/64} MD step = 416300 step time: 00:00:00.164934 Performance: 65.950 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:35:16,888 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 149.72 -2040.3 16409 -18449 -18449 -0.00096196 -0.00057146 0.00048574 6.7403e+05 2024-05-09 00:35:32,200 INFO [main.py:798]
{rank 0/64} MD step = 416400 step time: 00:00:00.153555 Performance: 65.951 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:35:40,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416400 83280 150.46 -1847.7 16490 -18338 -18338 -0.00075719 -0.00057146 0.00053336 6.742e+05 2024-05-09 00:35:55,905 INFO [main.py:798]
{rank 0/64} MD step = 416500 step time: 00:00:00.156955 Performance: 65.953 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:36:02,374 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 147.15 -2179.6 16128 -18307 -18307 -0.00038097 -0.00038097 0.00045717 6.7431e+05 2024-05-09 00:36:18,264 INFO [main.py:798]
{rank 0/64} MD step = 416600 step time: 00:00:00.169253 Performance: 65.955 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:36:25,733 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 151.97 -1772.2 16656 -18429 -18429 -0.00041907 -0.00047622 0.00046669 6.7449e+05 2024-05-09 00:36:41,769 INFO [main.py:798]
{rank 0/64} MD step = 416700 step time: 00:00:00.156881 Performance: 65.957 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:36:49,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416700 83340 151.14 -1701.4 16565 -18267 -18267 -0.00076195 -0.00091434 0.00049527 6.7469e+05 2024-05-09 00:37:05,722 INFO [main.py:798]
{rank 0/64} MD step = 416800 step time: 00:00:00.161423 Performance: 65.958 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:37:16,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416800 83360 150.65 -2113.5 16511 -18625 -18625 -0.0006667 -0.00064766 0.00087624 6.7479e+05 2024-05-09 00:37:32,501 INFO [main.py:798]
{rank 0/64} MD step = 416900 step time: 00:00:00.155240 Performance: 65.958 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:37:38,819 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 148.5 -2203.4 16276 -18479 -18479 -0.00056194 -0.00064766 0.00085719 6.7499e+05 2024-05-09 00:37:54,506 INFO [main.py:798]
{rank 0/64} MD step = 417000 step time: 00:00:00.158479 Performance: 65.960 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:38:00,760 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 149.03 -2128.8 16334 -18463 -18463 -0.00076195 -0.00057146 0.00076195 6.7512e+05 2024-05-09 00:38:16,805 INFO [main.py:798]
{rank 0/64} MD step = 417100 step time: 00:00:00.154222 Performance: 65.963 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:38:22,807 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 150.34 -2209.5 16478 -18687 -18687 -0.00082862 -0.00072385 0.00079528 6.7527e+05 2024-05-09 00:38:38,391 INFO [main.py:798]
{rank 0/64} MD step = 417200 step time: 00:00:00.153809 Performance: 65.966 ns/day 0.364 hours/ns 3.817 steps/s 2024-05-09 00:38:45,399 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 151.38 -1986.4 16591 -18577 -18577 -0.00075719 -0.00072385 0.00043812 6.7543e+05 2024-05-09 00:39:01,454 INFO [main.py:798]
{rank 0/64} MD step = 417300 step time: 00:00:00.142111 Performance: 65.968 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:39:07,942 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 153.14 -1690.7 16784 -18475 -18475 -0.00034288 -0.0010286 0.00026668 6.7561e+05 2024-05-09 00:39:23,538 INFO [main.py:798]
{rank 0/64} MD step = 417400 step time: 00:00:00.148923 Performance: 65.970 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:39:32,065 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 150.51 -1984.7 16496 -18480 -18480 -0.00087624 -0.00051431 0.00030478 6.7574e+05 2024-05-09 00:39:47,989 INFO [main.py:798]
{rank 0/64} MD step = 417500 step time: 00:00:00.155874 Performance: 65.971 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:39:55,269 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 149.5 -1941 16385 -18326 -18326 -0.00057146 -0.00072385 0.00038097 6.7592e+05 2024-05-09 00:40:10,668 INFO [main.py:798]
{rank 0/64} MD step = 417600 step time: 00:00:00.161409 Performance: 65.973 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:40:18,420 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 149.34 -2013.7 16368 -18381 -18381 -0.00083814 -0.00068575 0.000781 6.7607e+05 2024-05-09 00:40:34,038 INFO [main.py:798]
{rank 0/64} MD step = 417700 step time: 00:00:00.160691 Performance: 65.975 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:40:40,116 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 150.81 -1718.7 16529 -18247 -18247 -0.00062861 -0.00047622 0.0012191 6.7627e+05 2024-05-09 00:40:55,987 INFO [main.py:798]
{rank 0/64} MD step = 417800 step time: 00:00:00.164970 Performance: 65.977 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:41:02,966 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 147.59 -2029.8 16176 -18206 -18206 -0.00060956 -0.00072385 0.00051431 6.7645e+05 2024-05-09 00:41:18,694 INFO [main.py:798]
{rank 0/64} MD step = 417900 step time: 00:00:00.165512 Performance: 65.980 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:41:28,949 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 150.71 -1774.4 16518 -18293 -18293 -7.6195e-05 -0.00032383 0.00068575 6.7661e+05 2024-05-09 00:41:44,250 INFO [main.py:798]
{rank 0/64} MD step = 418000 step time: 00:00:00.154282 Performance: 65.980 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:41:53,904 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 150.27 -1804 16470 -18274 -18274 -0.00053336 -0.00058099 0.00038097 6.7674e+05 2024-05-09 00:42:10,720 INFO [main.py:798]
{rank 0/64} MD step = 418100 step time: 00:00:00.158140 Performance: 65.980 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:42:16,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418100 83620 150.38 -2091.3 16482 -18573 -18573 -0.00051431 -0.00050003 0.00087148 6.7694e+05 2024-05-09 00:42:32,084 INFO [main.py:798]
{rank 0/64} MD step = 418200 step time: 00:00:00.142627 Performance: 65.983 ns/day 0.364 hours/ns 3.818 steps/s 2024-05-09 00:42:39,323 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 148.49 -2158.8 16274 -18433 -18433 -0.00045717 -0.00060003 0.00028573 6.771e+05 2024-05-09 00:42:55,659 INFO [main.py:798]
{rank 0/64} MD step = 418300 step time: 00:00:00.162253 Performance: 65.984 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-09 00:43:02,506 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 149.3 -2014.5 16363 -18378 -18378 -0.00038097 -0.00076195 0.00049527 6.7724e+05 2024-05-09 00:43:18,209 INFO [main.py:798]
{rank 0/64} MD step = 418400 step time: 00:00:00.160856 Performance: 65.986 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-09 00:43:23,622 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 150.8 -1878.9 16528 -18407 -18407 -0.00055241 -0.00064766 0.00072385 6.7742e+05 2024-05-09 00:43:38,656 INFO [main.py:798]
{rank 0/64} MD step = 418500 step time: 00:00:00.156391 Performance: 65.990 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-09 00:43:44,254 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 150.07 -1932.7 16448 -18380 -18380 -0.00041907 -0.00092386 0.00028573 6.7755e+05 2024-05-09 00:43:59,448 INFO [main.py:798]
{rank 0/64} MD step = 418600 step time: 00:00:00.144276 Performance: 65.993 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-09 00:44:07,497 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 151.7 -1747 16626 -18373 -18373 -0.00055241 -0.00065718 0.00045717 6.7768e+05 2024-05-09 00:44:23,455 INFO [main.py:798]
{rank 0/64} MD step = 418700 step time: 00:00:00.169340 Performance: 65.994 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-09 00:44:29,823 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 150.15 -1966.9 16456 -18423 -18423 -0.0007048 -0.00059051 0.0007429 6.7782e+05 2024-05-09 00:44:45,765 INFO [main.py:798]
{rank 0/64} MD step = 418800 step time: 00:00:00.162538 Performance: 65.997 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-09 00:44:50,663 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 149.87 -2064.6 16426 -18491 -18491 -0.000781 -0.00059051 0.00060956 6.7798e+05 2024-05-09 00:45:06,836 INFO [main.py:798]
{rank 0/64} MD step = 418900 step time: 00:00:00.159020 Performance: 66.000 ns/day 0.364 hours/ns 3.819 steps/s 2024-05-09 00:45:12,890 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 151.44 -1721.4 16598 -18320 -18320 -0.00068575 -0.00055241 0.00045717 6.7817e+05 2024-05-09 00:45:28,358 INFO [main.py:798]
{rank 0/64} MD step = 419000 step time: 00:00:00.156164 Performance: 66.003 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-09 00:45:36,723 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 148.93 -1889.1 16322 -18211 -18211 -0.00064766 -0.00080005 0.00014287 6.783e+05 2024-05-09 00:45:52,138 INFO [main.py:798]
{rank 0/64} MD step = 419100 step time: 00:00:00.160064 Performance: 66.004 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-09 00:45:58,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419100 83820 149.68 -1886 16405 -18291 -18291 -0.00087624 -0.00073337 0.00049527 6.7848e+05 2024-05-09 00:46:14,765 INFO [main.py:798]
{rank 0/64} MD step = 419200 step time: 00:00:00.157180 Performance: 66.006 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-09 00:46:19,040 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 150.11 -1944.5 16452 -18397 -18397 -0.00034288 -0.00053336 0.00036193 6.7859e+05 2024-05-09 00:46:36,474 INFO [main.py:798]
{rank 0/64} MD step = 419300 step time: 00:00:00.154881 Performance: 66.009 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-09 00:46:41,104 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 149.48 -1852.2 16383 -18236 -18236 -0.00060956 -0.00034288 0.00030478 6.7873e+05 2024-05-09 00:46:57,242 INFO [main.py:798]
{rank 0/64} MD step = 419400 step time: 00:00:00.164646 Performance: 66.012 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-09 00:47:04,657 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 149.52 -1946.7 16388 -18335 -18335 -0.00060956 -0.00072385 0.00053336 6.7888e+05 2024-05-09 00:47:20,345 INFO [main.py:798]
{rank 0/64} MD step = 419500 step time: 00:00:00.166005 Performance: 66.014 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-09 00:47:26,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419500 83900 149.44 -1831.6 16378 -18210 -18210 -0.00057146 -0.00049527 0.00095243 6.7907e+05 2024-05-09 00:47:42,237 INFO [main.py:798]
{rank 0/64} MD step = 419600 step time: 00:00:00.153251 Performance: 66.017 ns/day 0.364 hours/ns 3.820 steps/s 2024-05-09 00:47:48,234 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 149.1 -1716.8 16342 -18059 -18059 -0.0007429 -0.00055241 0.00047622 6.7925e+05 2024-05-09 00:48:03,807 INFO [main.py:798]
{rank 0/64} MD step = 419700 step time: 00:00:00.152531 Performance: 66.019 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-09 00:48:11,692 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 150.7 -1731 16517 -18248 -18248 -0.00045717 -0.00072385 0.00065718 6.7937e+05 2024-05-09 00:48:27,184 INFO [main.py:798]
{rank 0/64} MD step = 419800 step time: 00:00:00.156577 Performance: 66.021 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-09 00:48:34,551 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 149.91 -1885.5 16430 -18316 -18316 -0.00060956 -0.00054289 0.00099053 6.7956e+05 2024-05-09 00:48:50,540 INFO [main.py:798]
{rank 0/64} MD step = 419900 step time: 00:00:00.153480 Performance: 66.023 ns/day 0.364 hours/ns 3.821 steps/s 2024-05-09 00:48:56,054 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 151.15 -1911.8 16566 -18478 -18478 -0.00068575 -0.00084767 0.00049527 6.7966e+05 2024-05-09 00:49:11,846 INFO [main.py:798]
{rank 0/64} MD step = 420000 step time: 00:00:00.158010 Performance: 66.026 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-09 00:49:20,235 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 149.56 -1929.1 16392 -18321 -18321 -0.00083814 -0.00057146 0.0007429 6.7982e+05 2024-05-09 00:49:35,876 INFO [main.py:798]
{rank 0/64} MD step = 420100 step time: 00:00:00.155216 Performance: 66.027 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-09 00:49:45,616 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 149.84 -1991.4 16422 -18414 -18414 -0.00041907 -0.00055241 -7.6195e-05 6.7995e+05 2024-05-09 00:50:01,989 INFO [main.py:798]
{rank 0/64} MD step = 420200 step time: 00:00:00.174160 Performance: 66.027 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-09 00:50:08,132 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 149.3 -1937.4 16364 -18301 -18301 -0.00034288 -0.000781 0.00068575 6.8008e+05 2024-05-09 00:50:23,761 INFO [main.py:798]
{rank 0/64} MD step = 420300 step time: 00:00:00.156765 Performance: 66.030 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-09 00:50:28,914 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 149.82 -1899.2 16420 -18319 -18319 -0.00091434 -0.00043812 0.00034288 6.8025e+05 2024-05-09 00:50:45,967 INFO [main.py:798]
{rank 0/64} MD step = 420400 step time: 00:00:00.161360 Performance: 66.032 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-09 00:50:52,344 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 148.15 -2126.1 16237 -18364 -18364 -0.00080005 -0.00076195 0.00060956 6.8034e+05 2024-05-09 00:51:08,196 INFO [main.py:798]
{rank 0/64} MD step = 420500 step time: 00:00:00.165462 Performance: 66.034 ns/day 0.363 hours/ns 3.821 steps/s 2024-05-09 00:51:13,446 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 147.96 -2046 16216 -18262 -18262 -0.00087624 -0.00049527 0.00041907 6.8052e+05 2024-05-09 00:51:29,222 INFO [main.py:798]
{rank 0/64} MD step = 420600 step time: 00:00:00.160480 Performance: 66.037 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:51:36,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420600 84120 147.09 -2640.9 16121 -18762 -18762 -0.000781 -0.00091434 0.00064766 6.8066e+05 2024-05-09 00:51:54,640 INFO [main.py:798]
{rank 0/64} MD step = 420700 step time: 00:00:00.165663 Performance: 66.038 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:52:05,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420700 84140 150.95 -1956.5 16544 -18501 -18501 -0.00046669 -0.0006667 0.00080005 6.8086e+05 2024-05-09 00:52:21,177 INFO [main.py:798]
{rank 0/64} MD step = 420800 step time: 00:00:00.150381 Performance: 66.038 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:52:27,386 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 148.82 -2146.2 16311 -18457 -18457 -0.00081909 -0.00034288 0.00076195 6.8103e+05 2024-05-09 00:52:43,778 INFO [main.py:798]
{rank 0/64} MD step = 420900 step time: 00:00:00.151702 Performance: 66.040 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:52:51,729 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 148.2 -2295.1 16243 -18538 -18538 -0.00068575 -0.00059051 0.00083814 6.8121e+05 2024-05-09 00:53:07,881 INFO [main.py:798]
{rank 0/64} MD step = 421000 step time: 00:00:00.159829 Performance: 66.041 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:53:13,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421000 84200 150.2 -1963.4 16462 -18426 -18426 -0.00047622 -0.00040002 0.00034288 6.8133e+05 2024-05-09 00:53:31,477 INFO [main.py:798]
{rank 0/64} MD step = 421100 step time: 00:00:00.152963 Performance: 66.043 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:53:36,849 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 150.27 -1637.7 16470 -18108 -18108 -0.00060956 -0.00057146 0.00028573 6.8155e+05 2024-05-09 00:53:52,970 INFO [main.py:798]
{rank 0/64} MD step = 421200 step time: 00:00:00.159036 Performance: 66.045 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:53:58,067 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 151.06 -1941.7 16556 -18498 -18498 -0.00041907 -0.00083814 0.00053336 6.8166e+05 2024-05-09 00:54:13,988 INFO [main.py:798]
{rank 0/64} MD step = 421300 step time: 00:00:00.162952 Performance: 66.048 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:54:21,160 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 148.18 -2256 16240 -18496 -18496 -0.00036193 -0.00053336 0.00057146 6.8183e+05 2024-05-09 00:54:37,240 INFO [main.py:798]
{rank 0/64} MD step = 421400 step time: 00:00:00.162606 Performance: 66.050 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:54:43,386 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 149.39 -1867.9 16373 -18241 -18241 -0.00045717 -0.00068575 0.00036193 6.8204e+05 2024-05-09 00:54:59,129 INFO [main.py:798]
{rank 0/64} MD step = 421500 step time: 00:00:00.164547 Performance: 66.053 ns/day 0.363 hours/ns 3.822 steps/s 2024-05-09 00:55:04,898 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 150.13 -2060 16455 -18515 -18515 -0.00064766 -0.00093339 0.0007429 6.8221e+05 2024-05-09 00:55:20,916 INFO [main.py:798]
{rank 0/64} MD step = 421600 step time: 00:00:00.164390 Performance: 66.055 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-09 00:55:26,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421600 84320 148.96 -2230 16326 -18556 -18556 -0.00045717 -0.00030478 0.00041907 6.8234e+05 2024-05-09 00:55:41,624 INFO [main.py:798]
{rank 0/64} MD step = 421700 step time: 00:00:00.161086 Performance: 66.059 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-09 00:55:46,200 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 151.34 -1757.9 16587 -18345 -18345 -0.00095243 -0.00045717 0.00076195 6.8251e+05 2024-05-09 00:56:02,080 INFO [main.py:798]
{rank 0/64} MD step = 421800 step time: 00:00:00.160015 Performance: 66.062 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-09 00:56:07,227 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 150.61 -1866.8 16507 -18374 -18374 -0.00011429 -0.000781 0.00034288 6.8267e+05 2024-05-09 00:56:23,472 INFO [main.py:798]
{rank 0/64} MD step = 421900 step time: 00:00:00.165071 Performance: 66.065 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-09 00:56:29,494 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 146.67 -2424.4 16076 -18500 -18500 -0.00056194 -0.00082862 0.00049527 6.8277e+05 2024-05-09 00:56:44,949 INFO [main.py:798]
{rank 0/64} MD step = 422000 step time: 00:00:00.159519 Performance: 66.068 ns/day 0.363 hours/ns 3.823 steps/s 2024-05-09 00:56:50,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422000 84400 150.18 -1951.5 16460 -18412 -18412 -0.00080005 -0.000781 0.00096196 6.8295e+05 2024-05-09 00:57:05,321 INFO [main.py:798]
{rank 0/64} MD step = 422100 step time: 00:00:00.157736 Performance: 66.071 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-09 00:57:11,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422100 84420 149.9 -1871.4 16429 -18300 -18300 -0.00053336 -0.00099053 0.00051431 6.8316e+05 2024-05-09 00:57:26,571 INFO [main.py:798]
{rank 0/64} MD step = 422200 step time: 00:00:00.162870 Performance: 66.074 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-09 00:57:32,283 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 151.26 -1843.5 16579 -18422 -18422 -0.0006667 -0.00064766 0.00060003 6.8329e+05 2024-05-09 00:57:47,935 INFO [main.py:798]
{rank 0/64} MD step = 422300 step time: 00:00:00.158779 Performance: 66.077 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-09 00:57:52,787 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 152.05 -1644.9 16665 -18310 -18310 -0.00036193 -0.00095243 0.00053336 6.8348e+05 2024-05-09 00:58:08,764 INFO [main.py:798]
{rank 0/64} MD step = 422400 step time: 00:00:00.161853 Performance: 66.080 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-09 00:58:14,427 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 151.35 -1894.2 16588 -18482 -18482 -0.0003143 -0.00034288 0.00030478 6.8362e+05 2024-05-09 00:58:30,358 INFO [main.py:798]
{rank 0/64} MD step = 422500 step time: 00:00:00.163257 Performance: 66.083 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-09 00:58:36,424 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 149.48 -2202.8 16384 -18587 -18587 -0.0007429 -0.00049527 0.0007048 6.8382e+05 2024-05-09 00:58:51,947 INFO [main.py:798]
{rank 0/64} MD step = 422600 step time: 00:00:00.157441 Performance: 66.086 ns/day 0.363 hours/ns 3.824 steps/s 2024-05-09 00:58:58,265 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 151.38 -1829.6 16591 -18421 -18421 -0.00072385 -0.00091434 0.00093339 6.8397e+05 2024-05-09 00:59:13,422 INFO [main.py:798]
{rank 0/64} MD step = 422700 step time: 00:00:00.159154 Performance: 66.088 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-09 00:59:18,537 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 148.52 -2177.7 16278 -18455 -18455 -0.00053336 -0.00055241 0.00041907 6.8409e+05 2024-05-09 00:59:36,351 INFO [main.py:798]
{rank 0/64} MD step = 422800 step time: 00:00:00.166645 Performance: 66.090 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-09 00:59:41,887 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 151.8 -1658.3 16637 -18296 -18296 -0.000781 -0.00040002 0.00045717 6.8428e+05 2024-05-09 00:59:57,592 INFO [main.py:798]
{rank 0/64} MD step = 422900 step time: 00:00:00.154830 Performance: 66.093 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-09 01:00:03,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422900 84580 152.8 -1732.9 16748 -18480 -18480 -0.00019049 -0.00057146 0.00038097 6.8438e+05 2024-05-09 01:00:18,506 INFO [main.py:798]
{rank 0/64} MD step = 423000 step time: 00:00:00.179634 Performance: 66.096 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-09 01:00:23,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423000 84600 150.48 -1928.2 16492 -18421 -18421 -0.00060956 -0.00064766 0.00040002 6.8457e+05 2024-05-09 01:00:39,449 INFO [main.py:798]
{rank 0/64} MD step = 423100 step time: 00:00:00.150248 Performance: 66.099 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-09 01:00:45,292 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 150.55 -2141.1 16500 -18642 -18642 -0.00068575 -0.00068575 0.00055241 6.847e+05 2024-05-09 01:01:02,337 INFO [main.py:798]
{rank 0/64} MD step = 423200 step time: 00:00:00.159623 Performance: 66.101 ns/day 0.363 hours/ns 3.825 steps/s 2024-05-09 01:01:08,075 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 148.87 -2239.3 16317 -18556 -18556 -0.00051431 -0.00026668 0.00080005 6.8486e+05 2024-05-09 01:01:22,952 INFO [main.py:798]
{rank 0/64} MD step = 423300 step time: 00:00:00.152333 Performance: 66.105 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-09 01:01:30,518 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 150.79 -2095.6 16526 -18622 -18622 -0.00062861 -0.00047622 0.00057146 6.8499e+05 2024-05-09 01:01:46,000 INFO [main.py:798]
{rank 0/64} MD step = 423400 step time: 00:00:00.147587 Performance: 66.107 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-09 01:01:52,392 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 150.05 -2075.2 16445 -18520 -18520 -0.00034288 -0.00017144 0.00041907 6.8514e+05 2024-05-09 01:02:08,399 INFO [main.py:798]
{rank 0/64} MD step = 423500 step time: 00:00:00.143555 Performance: 66.109 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-09 01:02:14,110 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 150.19 -1778.1 16461 -18239 -18239 -0.00076195 -0.00028573 0.00053336 6.8539e+05 2024-05-09 01:02:30,834 INFO [main.py:798]
{rank 0/64} MD step = 423600 step time: 00:00:00.148656 Performance: 66.111 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-09 01:02:36,268 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 150.05 -1870 16446 -18316 -18316 -0.00072385 -0.00091434 0.00076195 6.8553e+05 2024-05-09 01:02:52,333 INFO [main.py:798]
{rank 0/64} MD step = 423700 step time: 00:00:00.149845 Performance: 66.114 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-09 01:02:58,824 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 150.04 -1776 16445 -18221 -18221 -0.00034288 -0.000781 0.00057146 6.8567e+05 2024-05-09 01:03:14,979 INFO [main.py:798]
{rank 0/64} MD step = 423800 step time: 00:00:00.155595 Performance: 66.116 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-09 01:03:20,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423800 84760 151.41 -1785 16595 -18380 -18380 -0.00040955 -0.00083814 0.00060956 6.8577e+05 2024-05-09 01:03:36,797 INFO [main.py:798]
{rank 0/64} MD step = 423900 step time: 00:00:00.150945 Performance: 66.118 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-09 01:03:41,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423900 84780 150.33 -1997.2 16476 -18474 -18474 -0.00057146 -0.00060956 0.00067623 6.8598e+05 2024-05-09 01:03:59,291 INFO [main.py:798]
{rank 0/64} MD step = 424000 step time: 00:00:00.148189 Performance: 66.121 ns/day 0.363 hours/ns 3.826 steps/s 2024-05-09 01:04:05,974 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 148.55 -2298.2 16281 -18579 -18579 -0.00072385 -0.00028573 0.00060956 6.8615e+05 2024-05-09 01:04:21,975 INFO [main.py:798]
{rank 0/64} MD step = 424100 step time: 00:00:00.153769 Performance: 66.123 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:04:27,270 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 151.28 -1800.5 16580 -18381 -18381 -0.00064766 -0.00072385 0.00057146 6.8634e+05 2024-05-09 01:04:43,032 INFO [main.py:798]
{rank 0/64} MD step = 424200 step time: 00:00:00.148692 Performance: 66.126 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:04:48,460 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 148.9 -1910.2 16320 -18230 -18230 -0.00045717 -0.00055241 0.00091434 6.865e+05 2024-05-09 01:05:04,957 INFO [main.py:798]
{rank 0/64} MD step = 424300 step time: 00:00:00.152689 Performance: 66.128 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:05:11,211 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 149.95 -1959.3 16435 -18394 -18394 -0.00055241 -0.0010667 0.00057146 6.8665e+05 2024-05-09 01:05:27,678 INFO [main.py:798]
{rank 0/64} MD step = 424400 step time: 00:00:00.157124 Performance: 66.130 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:05:33,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424400 84880 150.09 -1764 16450 -18214 -18214 -0.00080005 -0.0006667 0.00093339 6.8683e+05 2024-05-09 01:05:50,058 INFO [main.py:798]
{rank 0/64} MD step = 424500 step time: 00:00:00.156613 Performance: 66.132 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:05:56,056 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 151.32 -1743.8 16585 -18329 -18329 -0.00099053 -0.00093339 0.00068575 6.8697e+05 2024-05-09 01:06:12,167 INFO [main.py:798]
{rank 0/64} MD step = 424600 step time: 00:00:00.153352 Performance: 66.135 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:06:21,652 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 150.61 -1846.1 16507 -18353 -18353 -0.00043812 -0.00062861 0.0006667 6.8714e+05 2024-05-09 01:06:40,867 INFO [main.py:798]
{rank 0/64} MD step = 424700 step time: 00:00:00.151628 Performance: 66.133 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:06:47,901 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 149.99 -1883.5 16439 -18323 -18323 -0.00076195 -0.00060956 0.00057146 6.8732e+05 2024-05-09 01:07:03,721 INFO [main.py:798]
{rank 0/64} MD step = 424800 step time: 00:00:00.144831 Performance: 66.135 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:07:21,002 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 149.67 -1908.5 16404 -18312 -18312 -0.00047622 -0.00064766 0.00068575 6.8749e+05 2024-05-09 01:07:36,929 INFO [main.py:798]
{rank 0/64} MD step = 424900 step time: 00:00:00.152538 Performance: 66.131 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:07:45,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424900 84980 147.58 -2056.2 16175 -18231 -18231 -0.00099053 -0.00072385 0.00045717 6.8763e+05 2024-05-09 01:08:02,684 INFO [main.py:798]
{rank 0/64} MD step = 425000 step time: 00:00:00.154555 Performance: 66.131 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:08:22,029 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 149.59 -1940.4 16396 -18336 -18336 -0.00067623 -0.00032383 0.00068575 6.8774e+05 2024-05-09 01:08:38,114 INFO [main.py:798]
{rank 0/64} MD step = 425100 step time: 00:00:00.162062 Performance: 66.126 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:08:43,804 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 149.68 -1919.4 16405 -18324 -18324 -0.00055241 -0.00081909 0.0010667 6.879e+05 2024-05-09 01:08:59,115 INFO [main.py:798]
{rank 0/64} MD step = 425200 step time: 00:00:00.148512 Performance: 66.129 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:09:05,477 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 149.13 -2126.6 16345 -18472 -18472 -0.00063813 -0.00034288 0.00059765 6.8806e+05 2024-05-09 01:09:21,388 INFO [main.py:798]
{rank 0/64} MD step = 425300 step time: 00:00:00.153803 Performance: 66.131 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:09:27,894 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 149.36 -1863.4 16370 -18233 -18233 -0.00081909 -0.00091434 0.00057146 6.8826e+05 2024-05-09 01:09:43,634 INFO [main.py:798]
{rank 0/64} MD step = 425400 step time: 00:00:00.158633 Performance: 66.133 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:09:50,730 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 149.79 -1792 16417 -18209 -18209 -0.00080005 -0.00083814 0.00053336 6.8842e+05 2024-05-09 01:10:06,285 INFO [main.py:798]
{rank 0/64} MD step = 425500 step time: 00:00:00.180784 Performance: 66.136 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:10:14,696 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 150.85 -1788.7 16533 -18322 -18322 -0.00049527 -0.0007429 0.0010096 6.8857e+05 2024-05-09 01:10:30,578 INFO [main.py:798]
{rank 0/64} MD step = 425600 step time: 00:00:00.179067 Performance: 66.137 ns/day 0.363 hours/ns 3.827 steps/s 2024-05-09 01:10:36,550 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 147.78 -1991.8 16197 -18189 -18189 -0.00030478 -0.0010286 0.00080005 6.8865e+05 2024-05-09 01:10:52,288 INFO [main.py:798]
{rank 0/64} MD step = 425700 step time: 00:00:00.172566 Performance: 66.139 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:10:58,047 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 150.78 -1780.1 16526 -18306 -18306 -0.00087624 -0.00064766 0.0007048 6.8883e+05 2024-05-09 01:11:13,252 INFO [main.py:798]
{rank 0/64} MD step = 425800 step time: 00:00:00.161101 Performance: 66.142 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:11:19,192 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 150.81 -1779.3 16529 -18308 -18308 -0.00050479 -0.0003143 0.00047622 6.8894e+05 2024-05-09 01:11:34,795 INFO [main.py:798]
{rank 0/64} MD step = 425900 step time: 00:00:00.157335 Performance: 66.145 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:11:40,041 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 148.51 -2054.1 16277 -18331 -18331 -0.00063813 -0.00094291 0.0007048 6.8912e+05 2024-05-09 01:11:57,851 INFO [main.py:798]
{rank 0/64} MD step = 426000 step time: 00:00:00.160028 Performance: 66.147 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:12:06,469 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 150.19 -1970.1 16461 -18431 -18431 -0.00090958 -0.00053336 0.00099053 6.893e+05 2024-05-09 01:12:22,071 INFO [main.py:798]
{rank 0/64} MD step = 426100 step time: 00:00:00.160217 Performance: 66.148 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:12:29,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426100 85220 153.37 -1624.4 16810 -18434 -18434 -0.00099053 -0.00072385 0.00095243 6.8942e+05 2024-05-09 01:12:43,563 INFO [main.py:798]
{rank 0/64} MD step = 426200 step time: 00:00:00.137839 Performance: 66.151 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:12:54,021 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 151.07 -1750.2 16558 -18308 -18308 -0.00076195 -0.00067623 0.00045717 6.8953e+05 2024-05-09 01:13:08,186 INFO [main.py:798]
{rank 0/64} MD step = 426300 step time: 00:00:00.135890 Performance: 66.152 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:13:24,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426300 85260 151.04 -1888.6 16554 -18443 -18443 -0.00093339 -0.00060956 0.00064766 6.8972e+05 2024-05-09 01:13:39,983 INFO [main.py:798]
{rank 0/64} MD step = 426400 step time: 00:00:00.156703 Performance: 66.148 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:13:47,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426400 85280 148.82 -1952.6 16311 -18263 -18263 -0.00059051 -0.00091434 0.0006667 6.8989e+05 2024-05-09 01:14:01,188 INFO [main.py:798]
{rank 0/64} MD step = 426500 step time: 00:00:00.139910 Performance: 66.151 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:14:07,045 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 150.29 -1936.9 16472 -18408 -18408 -0.00072385 -0.00073337 0.00053336 6.9004e+05 2024-05-09 01:14:21,960 INFO [main.py:798]
{rank 0/64} MD step = 426600 step time: 00:00:00.144348 Performance: 66.154 ns/day 0.363 hours/ns 3.828 steps/s 2024-05-09 01:14:28,000 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 150.87 -1830.1 16535 -18366 -18366 -0.00032859 -0.00087624 0.00068575 6.902e+05 2024-05-09 01:14:43,786 INFO [main.py:798]
{rank 0/64} MD step = 426700 step time: 00:00:00.142086 Performance: 66.157 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-09 01:14:49,950 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 148.43 -2106.8 16268 -18375 -18375 -0.00092386 -0.00068575 0.00051431 6.9036e+05 2024-05-09 01:15:03,820 INFO [main.py:798]
{rank 0/64} MD step = 426800 step time: 00:00:00.149461 Performance: 66.161 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-09 01:15:10,168 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 149.05 -2058.4 16336 -18394 -18394 -0.00095243 -0.00057146 0.00091434 6.9055e+05 2024-05-09 01:15:24,753 INFO [main.py:798]
{rank 0/64} MD step = 426900 step time: 00:00:00.151963 Performance: 66.164 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-09 01:15:29,971 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 150.55 -1735.9 16500 -18236 -18236 -0.00080957 -0.00020954 0.00060956 6.9069e+05 2024-05-09 01:15:46,850 INFO [main.py:798]
{rank 0/64} MD step = 427000 step time: 00:00:00.133897 Performance: 66.166 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-09 01:15:53,518 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 148.32 -2142.9 16256 -18399 -18399 -0.00055241 -0.00083814 0.00055241 6.9086e+05 2024-05-09 01:16:07,411 INFO [main.py:798]
{rank 0/64} MD step = 427100 step time: 00:00:00.142381 Performance: 66.169 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-09 01:16:18,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427100 85420 150.7 -1704.7 16517 -18222 -18222 -0.00054289 -0.00083814 0.00051431 6.9108e+05 2024-05-09 01:16:32,607 INFO [main.py:798]
{rank 0/64} MD step = 427200 step time: 00:00:00.132981 Performance: 66.170 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-09 01:16:37,047 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 150.63 -1999.7 16510 -18509 -18509 -0.00087624 -0.00041907 0.00083814 6.9115e+05 2024-05-09 01:16:54,224 INFO [main.py:798]
{rank 0/64} MD step = 427300 step time: 00:00:00.153630 Performance: 66.172 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-09 01:17:05,422 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 148.91 -2216.5 16321 -18537 -18537 -0.00038097 -0.00041907 0.00062861 6.9135e+05 2024-05-09 01:17:20,268 INFO [main.py:798]
{rank 0/64} MD step = 427400 step time: 00:00:00.143129 Performance: 66.173 ns/day 0.363 hours/ns 3.829 steps/s 2024-05-09 01:17:25,311 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 148.17 -2224 16240 -18464 -18464 -0.00076195 -0.00080005 0.00032383 6.9152e+05 2024-05-09 01:17:41,559 INFO [main.py:798]
{rank 0/64} MD step = 427500 step time: 00:00:00.140357 Performance: 66.175 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-09 01:17:48,703 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 151.67 -1949.1 16623 -18572 -18572 -0.00087624 -0.00047622 0.00057146 6.9164e+05 2024-05-09 01:18:03,231 INFO [main.py:798]
{rank 0/64} MD step = 427600 step time: 00:00:00.143330 Performance: 66.178 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-09 01:18:10,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427600 85520 151.07 -1765 16558 -18323 -18323 -0.00076195 -0.00080005 0.00093339 6.9181e+05 2024-05-09 01:18:26,451 INFO [main.py:798]
{rank 0/64} MD step = 427700 step time: 00:00:00.147017 Performance: 66.180 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-09 01:18:32,534 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 150.48 -1904.2 16493 -18397 -18397 -0.0011048 -0.0006667 0.00060956 6.9195e+05 2024-05-09 01:18:46,698 INFO [main.py:798]
{rank 0/64} MD step = 427800 step time: 00:00:00.140432 Performance: 66.183 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-09 01:18:52,969 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 150.69 -1903.2 16516 -18419 -18419 -0.00089529 -0.00082862 0.00093339 6.9214e+05 2024-05-09 01:19:07,838 INFO [main.py:798]
{rank 0/64} MD step = 427900 step time: 00:00:00.154612 Performance: 66.186 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-09 01:19:14,356 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 149.94 -2021.6 16433 -18455 -18455 -0.00057146 -0.00047622 0.00045717 6.923e+05 2024-05-09 01:19:29,993 INFO [main.py:798]
{rank 0/64} MD step = 428000 step time: 00:00:00.163119 Performance: 66.188 ns/day 0.363 hours/ns 3.830 steps/s 2024-05-09 01:19:36,374 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 150.9 -1845.3 16539 -18384 -18384 -0.00076195 -0.00083814 0.00041907 6.9249e+05 2024-05-09 01:19:50,969 INFO [main.py:798]
{rank 0/64} MD step = 428100 step time: 00:00:00.142445 Performance: 66.192 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:19:57,130 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 150.16 -1866.4 16458 -18325 -18325 -0.00072385 -0.00072385 0.00045717 6.9258e+05 2024-05-09 01:20:15,911 INFO [main.py:798]
{rank 0/64} MD step = 428200 step time: 00:00:00.135036 Performance: 66.192 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:20:20,247 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 150.34 -2118.5 16477 -18596 -18596 -0.00091434 -0.00061908 0.00050479 6.9271e+05 2024-05-09 01:20:35,361 INFO [main.py:798]
{rank 0/64} MD step = 428300 step time: 00:00:00.136488 Performance: 66.196 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:20:43,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428300 85660 150.28 -2018.2 16471 -18489 -18489 -0.00028573 -0.00055241 0.00050479 6.9289e+05 2024-05-09 01:20:57,866 INFO [main.py:798]
{rank 0/64} MD step = 428400 step time: 00:00:00.137012 Performance: 66.198 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:21:10,330 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 150.04 -2076.2 16445 -18521 -18521 -0.00068575 -0.000781 0.00060956 6.9303e+05 2024-05-09 01:21:25,679 INFO [main.py:798]
{rank 0/64} MD step = 428500 step time: 00:00:00.154947 Performance: 66.197 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:21:32,458 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 150.29 -1958.8 16472 -18431 -18431 -0.00010477 -0.00064766 0.00076195 6.9313e+05 2024-05-09 01:21:47,791 INFO [main.py:798]
{rank 0/64} MD step = 428600 step time: 00:00:00.153088 Performance: 66.200 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:21:54,219 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 150.09 -1837.1 16450 -18287 -18287 -0.00038097 -0.0007048 0.00068575 6.9332e+05 2024-05-09 01:22:19,116 INFO [main.py:798]
{rank 0/64} MD step = 428700 step time: 00:00:00.142241 Performance: 66.197 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:22:25,922 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 150.08 -1911.5 16449 -18360 -18360 -0.00071433 -0.0010286 0.00064766 6.935e+05 2024-05-09 01:22:41,505 INFO [main.py:798]
{rank 0/64} MD step = 428800 step time: 00:00:00.143973 Performance: 66.199 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:22:48,227 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 150.25 -1879.1 16468 -18347 -18347 -0.00083814 -0.00096672 0.00030478 6.9362e+05 2024-05-09 01:23:03,524 INFO [main.py:798]
{rank 0/64} MD step = 428900 step time: 00:00:00.157176 Performance: 66.201 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:23:08,513 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 148.04 -2126.2 16225 -18351 -18351 -0.0006667 -0.00029525 0.00068575 6.938e+05 2024-05-09 01:23:24,163 INFO [main.py:798]
{rank 0/64} MD step = 429000 step time: 00:00:00.156175 Performance: 66.204 ns/day 0.363 hours/ns 3.831 steps/s 2024-05-09 01:23:29,236 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 149.17 -2183.6 16349 -18533 -18533 -0.00087624 -0.00089529 0.00079052 6.9396e+05 2024-05-09 01:23:45,528 INFO [main.py:798]
{rank 0/64} MD step = 429100 step time: 00:00:00.141749 Performance: 66.207 ns/day 0.362 hours/ns 3.831 steps/s 2024-05-09 01:23:51,759 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 148.33 -2131.8 16258 -18389 -18389 -0.00034288 -0.00069528 0.00034288 6.941e+05 2024-05-09 01:24:07,076 INFO [main.py:798]
{rank 0/64} MD step = 429200 step time: 00:00:00.142593 Performance: 66.210 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-09 01:24:13,467 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 149.18 -1805.9 16350 -18156 -18156 -0.00055241 -0.00030478 0.00055241 6.9428e+05 2024-05-09 01:24:28,307 INFO [main.py:798]
{rank 0/64} MD step = 429300 step time: 00:00:00.142413 Performance: 66.213 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-09 01:24:35,859 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 149.79 -2020.2 16418 -18438 -18438 -0.00097148 -0.00060956 0.00069528 6.9442e+05 2024-05-09 01:24:50,306 INFO [main.py:798]
{rank 0/64} MD step = 429400 step time: 00:00:00.153499 Performance: 66.215 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-09 01:24:56,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429400 85880 150.63 -1944.6 16509 -18454 -18454 -0.00064766 -0.00060956 0.00053336 6.9458e+05 2024-05-09 01:25:11,381 INFO [main.py:798]
{rank 0/64} MD step = 429500 step time: 00:00:00.153373 Performance: 66.218 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-09 01:25:17,070 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 148.77 -2012.1 16305 -18318 -18318 -0.00055241 -0.0007048 0.00072385 6.9472e+05 2024-05-09 01:25:33,089 INFO [main.py:798]
{rank 0/64} MD step = 429600 step time: 00:00:00.146411 Performance: 66.221 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-09 01:25:38,704 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 150.03 -1878.3 16444 -18322 -18322 -0.00068575 -0.0006667 0.00051431 6.9488e+05 2024-05-09 01:25:52,725 INFO [main.py:798]
{rank 0/64} MD step = 429700 step time: 00:00:00.146983 Performance: 66.225 ns/day 0.362 hours/ns 3.832 steps/s 2024-05-09 01:25:59,371 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 153.12 -1611.4 16782 -18394 -18394 -0.00077147 -0.00053336 0.00060956 6.9508e+05 2024-05-09 01:26:14,089 INFO [main.py:798]
{rank 0/64} MD step = 429800 step time: 00:00:00.155751 Performance: 66.227 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-09 01:26:21,796 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 148.33 -2251.2 16257 -18508 -18508 -0.00072385 -0.00076195 0.00059051 6.9516e+05 2024-05-09 01:26:36,286 INFO [main.py:798]
{rank 0/64} MD step = 429900 step time: 00:00:00.171903 Performance: 66.230 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-09 01:26:42,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429900 85980 149.02 -2227 16332 -18559 -18559 -0.00096672 -0.00051431 0.0003905 6.9534e+05 2024-05-09 01:26:57,774 INFO [main.py:798]
{rank 0/64} MD step = 430000 step time: 00:00:00.139004 Performance: 66.232 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-09 01:27:03,321 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 151.19 -2086.2 16570 -18657 -18657 -0.00085719 -0.00068575 0.00068575 6.9551e+05 2024-05-09 01:27:17,993 INFO [main.py:798]
{rank 0/64} MD step = 430100 step time: 00:00:00.139724 Performance: 66.236 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-09 01:27:24,760 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 150.34 -1796.9 16477 -18274 -18274 -0.00045717 -0.00068575 0.00085719 6.9568e+05 2024-05-09 01:27:38,972 INFO [main.py:798]
{rank 0/64} MD step = 430200 step time: 00:00:00.142395 Performance: 66.239 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-09 01:27:48,087 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 152.43 -1611.2 16707 -18318 -18318 -0.00059051 -0.00083814 0.00086672 6.9579e+05 2024-05-09 01:28:02,686 INFO [main.py:798]
{rank 0/64} MD step = 430300 step time: 00:00:00.145882 Performance: 66.240 ns/day 0.362 hours/ns 3.833 steps/s 2024-05-09 01:28:08,371 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 150.69 -1709.4 16515 -18225 -18225 -0.00045717 -0.00038097 0.00076195 6.9593e+05 2024-05-09 01:28:22,726 INFO [main.py:798]
{rank 0/64} MD step = 430400 step time: 00:00:00.135163 Performance: 66.244 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:28:28,817 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 149.48 -1743.5 16383 -18127 -18127 -0.00041907 -0.00076195 0.00041907 6.9608e+05 2024-05-09 01:28:43,779 INFO [main.py:798]
{rank 0/64} MD step = 430500 step time: 00:00:00.139547 Performance: 66.247 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:28:50,011 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 151.71 -1659.5 16627 -18287 -18287 -0.00072385 -0.00093339 0.00099053 6.9626e+05 2024-05-09 01:29:03,851 INFO [main.py:798]
{rank 0/64} MD step = 430600 step time: 00:00:00.151263 Performance: 66.250 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:29:10,585 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 151.39 -1753.9 16593 -18346 -18346 -0.00093339 -0.00038097 0.00064766 6.9643e+05 2024-05-09 01:29:25,836 INFO [main.py:798]
{rank 0/64} MD step = 430700 step time: 00:00:00.138039 Performance: 66.253 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:29:32,490 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 150.55 -1971.5 16501 -18472 -18472 -0.00060956 -0.00038097 0.00024763 6.9664e+05 2024-05-09 01:29:46,804 INFO [main.py:798]
{rank 0/64} MD step = 430800 step time: 00:00:00.146164 Performance: 66.256 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:30:00,600 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 150.3 -1679.3 16473 -18153 -18153 -0.00045717 -0.00062861 -7.6195e-05 6.9679e+05 2024-05-09 01:30:16,918 INFO [main.py:798]
{rank 0/64} MD step = 430900 step time: 00:00:00.152019 Performance: 66.253 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:30:27,007 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 148.13 -2270.3 16235 -18505 -18505 -0.0007048 -0.00090005 0.00038097 6.9695e+05 2024-05-09 01:30:41,741 INFO [main.py:798]
{rank 0/64} MD step = 431000 step time: 00:00:00.149673 Performance: 66.254 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:30:48,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431000 86200 150.62 -1694.2 16508 -18202 -18202 -0.00059051 -0.00095243 0.00080005 6.9712e+05 2024-05-09 01:31:04,380 INFO [main.py:798]
{rank 0/64} MD step = 431100 step time: 00:00:00.147663 Performance: 66.256 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:31:11,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431100 86220 150.43 -1773.7 16487 -18261 -18261 -0.00055241 -0.00081909 0.00060956 6.9724e+05 2024-05-09 01:31:25,939 INFO [main.py:798]
{rank 0/64} MD step = 431200 step time: 00:00:00.151669 Performance: 66.259 ns/day 0.362 hours/ns 3.834 steps/s 2024-05-09 01:31:33,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431200 86240 150.42 -1591.2 16486 -18078 -18078 -0.00053336 -0.00085719 0.00076195 6.9744e+05 2024-05-09 01:31:47,381 INFO [main.py:798]
{rank 0/64} MD step = 431300 step time: 00:00:00.142914 Performance: 66.262 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-09 01:31:53,664 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 150.26 -1698.2 16469 -18167 -18167 -0.00022858 -0.00081909 0.00057146 6.9758e+05 2024-05-09 01:32:07,893 INFO [main.py:798]
{rank 0/64} MD step = 431400 step time: 00:00:00.145482 Performance: 66.265 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-09 01:32:14,740 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 150.24 -1841.6 16467 -18309 -18309 -0.00068575 -0.00034288 0.00030478 6.9773e+05 2024-05-09 01:32:29,842 INFO [main.py:798]
{rank 0/64} MD step = 431500 step time: 00:00:00.146708 Performance: 66.267 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-09 01:32:35,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431500 86300 147.77 -2062.7 16196 -18259 -18259 -0.00053336 -0.00068575 0.00097148 6.9791e+05 2024-05-09 01:32:49,680 INFO [main.py:798]
{rank 0/64} MD step = 431600 step time: 00:00:00.149036 Performance: 66.271 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-09 01:32:56,070 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 147.45 -1876.3 16160 -18036 -18036 -0.00080005 -0.0006667 0.00064766 6.9807e+05 2024-05-09 01:33:10,574 INFO [main.py:798]
{rank 0/64} MD step = 431700 step time: 00:00:00.133502 Performance: 66.274 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-09 01:33:17,823 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 149.14 -1989.1 16346 -18335 -18335 -0.00072385 -0.00034288 0.00057146 6.9815e+05 2024-05-09 01:33:31,972 INFO [main.py:798]
{rank 0/64} MD step = 431800 step time: 00:00:00.149236 Performance: 66.277 ns/day 0.362 hours/ns 3.835 steps/s 2024-05-09 01:33:38,069 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 152 -1598.8 16660 -18259 -18259 -0.00038097 -0.00051431 0.00091434 6.9829e+05 2024-05-09 01:33:51,522 INFO [main.py:798]
{rank 0/64} MD step = 431900 step time: 00:00:00.141508 Performance: 66.281 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-09 01:33:58,751 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 151.94 -1746.3 16653 -18399 -18399 -0.00049527 -0.00060956 0.00060956 6.9842e+05 2024-05-09 01:34:14,174 INFO [main.py:798]
{rank 0/64} MD step = 432000 step time: 00:00:00.151881 Performance: 66.283 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-09 01:34:20,627 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 149.86 -1801.7 16425 -18227 -18227 -0.00083814 -0.00034288 0.00055241 6.986e+05 2024-05-09 01:34:35,210 INFO [main.py:798]
{rank 0/64} MD step = 432100 step time: 00:00:00.150634 Performance: 66.286 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-09 01:34:40,550 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 151.78 -1757.7 16635 -18393 -18393 -0.00057146 -0.00072385 0.00034288 6.9869e+05 2024-05-09 01:34:56,029 INFO [main.py:798]
{rank 0/64} MD step = 432200 step time: 00:00:00.150839 Performance: 66.289 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-09 01:35:03,229 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 150.52 -2046.4 16497 -18544 -18544 -0.00064766 -0.0007048 0.00049527 6.9888e+05 2024-05-09 01:35:18,250 INFO [main.py:798]
{rank 0/64} MD step = 432300 step time: 00:00:00.144118 Performance: 66.291 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-09 01:35:24,339 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 149.42 -2020.7 16377 -18397 -18397 -0.00049527 -0.00034288 0.00077147 6.9906e+05 2024-05-09 01:35:38,966 INFO [main.py:798]
{rank 0/64} MD step = 432400 step time: 00:00:00.145433 Performance: 66.294 ns/day 0.362 hours/ns 3.836 steps/s 2024-05-09 01:35:45,153 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 147.99 -2166.7 16220 -18387 -18387 -0.00026668 -0.00060956 0.00060956 6.9926e+05 2024-05-09 01:35:59,579 INFO [main.py:798]
{rank 0/64} MD step = 432500 step time: 00:00:00.137100 Performance: 66.297 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-09 01:36:05,976 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 149.61 -2062.8 16398 -18461 -18461 -0.00076195 -0.00057146 0.0007048 6.9944e+05 2024-05-09 01:36:21,496 INFO [main.py:798]
{rank 0/64} MD step = 432600 step time: 00:00:00.154183 Performance: 66.300 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-09 01:36:27,669 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 150.34 -2007.2 16478 -18485 -18485 -0.000781 -0.00076195 0.00091434 6.9964e+05 2024-05-09 01:36:42,202 INFO [main.py:798]
{rank 0/64} MD step = 432700 step time: 00:00:00.135122 Performance: 66.303 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-09 01:36:49,049 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 150.96 -1784.8 16546 -18331 -18331 -0.00059051 -0.00068575 0.00064766 6.9979e+05 2024-05-09 01:37:03,920 INFO [main.py:798]
{rank 0/64} MD step = 432800 step time: 00:00:00.138201 Performance: 66.305 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-09 01:37:11,384 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 152.08 -1949.5 16668 -18617 -18617 -0.00081909 -0.0007429 0.00091434 6.9986e+05 2024-05-09 01:37:26,930 INFO [main.py:798]
{rank 0/64} MD step = 432900 step time: 00:00:00.155214 Performance: 66.307 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-09 01:37:33,967 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 148.49 -2103.4 16274 -18378 -18378 -0.00055717 -0.00072385 0.00053336 7.0005e+05 2024-05-09 01:37:49,235 INFO [main.py:798]
{rank 0/64} MD step = 433000 step time: 00:00:00.144505 Performance: 66.309 ns/day 0.362 hours/ns 3.837 steps/s 2024-05-09 01:37:55,450 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 150.44 -2055 16488 -18543 -18543 -0.0010667 -0.00030478 0.00055241 7.002e+05 2024-05-09 01:38:09,508 INFO [main.py:798]
{rank 0/64} MD step = 433100 step time: 00:00:00.148901 Performance: 66.313 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-09 01:38:15,413 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 150.43 -1869.9 16487 -18357 -18357 -0.00065718 -0.0006667 0.00083814 7.0036e+05 2024-05-09 01:38:30,011 INFO [main.py:798]
{rank 0/64} MD step = 433200 step time: 00:00:00.147379 Performance: 66.316 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-09 01:38:36,536 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 149.22 -1942.7 16355 -18298 -18298 -0.00076195 -0.00080005 0.00030478 7.0049e+05 2024-05-09 01:38:51,699 INFO [main.py:798]
{rank 0/64} MD step = 433300 step time: 00:00:00.150596 Performance: 66.319 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-09 01:39:03,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433300 86660 151.67 -1651 16623 -18274 -18274 -0.00072385 -0.00064766 0.00049527 7.0066e+05 2024-05-09 01:39:18,480 INFO [main.py:798]
{rank 0/64} MD step = 433400 step time: 00:00:00.157611 Performance: 66.318 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-09 01:39:26,021 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 148.24 -2282.5 16247 -18530 -18530 -0.00043812 -0.00036193 0.00015239 7.0079e+05 2024-05-09 01:39:40,152 INFO [main.py:798]
{rank 0/64} MD step = 433500 step time: 00:00:00.150402 Performance: 66.321 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-09 01:39:46,972 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 148.54 -2316.4 16280 -18596 -18596 -0.00095243 -0.00060956 0.00064766 7.0094e+05 2024-05-09 01:40:01,220 INFO [main.py:798]
{rank 0/64} MD step = 433600 step time: 00:00:00.148185 Performance: 66.324 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-09 01:40:07,956 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 148.95 -1829.4 16325 -18154 -18154 -0.00060956 -0.00045717 0.00068575 7.0116e+05 2024-05-09 01:40:22,447 INFO [main.py:798]
{rank 0/64} MD step = 433700 step time: 00:00:00.151826 Performance: 66.327 ns/day 0.362 hours/ns 3.838 steps/s 2024-05-09 01:40:27,878 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 152.08 -1480.2 16668 -18149 -18149 -0.00080005 -0.00072385 0.00076195 7.0128e+05 2024-05-09 01:40:42,739 INFO [main.py:798]
{rank 0/64} MD step = 433800 step time: 00:00:00.154883 Performance: 66.330 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-09 01:40:48,674 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 149.27 -2019.3 16360 -18380 -18380 -0.00060956 -0.00064766 0.00087624 7.0145e+05 2024-05-09 01:41:03,876 INFO [main.py:798]
{rank 0/64} MD step = 433900 step time: 00:00:00.155299 Performance: 66.333 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-09 01:41:10,285 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 149.71 -1720.8 16409 -18130 -18130 -0.00041907 -0.00091434 0.00091434 7.0162e+05 2024-05-09 01:41:24,811 INFO [main.py:798]
{rank 0/64} MD step = 434000 step time: 00:00:00.151488 Performance: 66.336 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-09 01:41:31,449 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 151.36 -1652.2 16590 -18242 -18242 -0.00072385 -0.00072385 0.00041907 7.0178e+05 2024-05-09 01:41:45,966 INFO [main.py:798]
{rank 0/64} MD step = 434100 step time: 00:00:00.143895 Performance: 66.339 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-09 01:41:52,296 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 151.6 -1765.2 16616 -18381 -18381 -0.00057146 -0.00040955 0.00041907 7.0195e+05 2024-05-09 01:42:06,302 INFO [main.py:798]
{rank 0/64} MD step = 434200 step time: 00:00:00.159314 Performance: 66.342 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-09 01:42:12,070 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 152.67 -1601.3 16733 -18334 -18334 -0.00080005 -0.00044764 0.00099529 7.0211e+05 2024-05-09 01:42:29,016 INFO [main.py:798]
{rank 0/64} MD step = 434300 step time: 00:00:00.154685 Performance: 66.344 ns/day 0.362 hours/ns 3.839 steps/s 2024-05-09 01:42:35,063 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 147.11 -2199.9 16124 -18324 -18324 -0.00055241 -0.00087624 0.00091434 7.023e+05 2024-05-09 01:42:48,970 INFO [main.py:798]
{rank 0/64} MD step = 434400 step time: 00:00:00.143266 Performance: 66.348 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:42:53,804 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 149.16 -2057.1 16348 -18405 -18405 -0.00038097 -0.00091434 0.00086672 7.0246e+05 2024-05-09 01:43:08,813 INFO [main.py:798]
{rank 0/64} MD step = 434500 step time: 00:00:00.160322 Performance: 66.351 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:43:14,886 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 152 -1910.2 16660 -18570 -18570 -0.00083814 -0.00080005 0.00053336 7.0267e+05 2024-05-09 01:43:30,026 INFO [main.py:798]
{rank 0/64} MD step = 434600 step time: 00:00:00.150981 Performance: 66.354 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:43:35,124 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 150.33 -1895.4 16477 -18372 -18372 -0.00059051 -0.00080005 0.00071433 7.0281e+05 2024-05-09 01:43:50,920 INFO [main.py:798]
{rank 0/64} MD step = 434700 step time: 00:00:00.144455 Performance: 66.357 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:43:57,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434700 86940 150.87 -1834.3 16535 -18370 -18370 -0.00041907 -0.00051431 0.00068575 7.0299e+05 2024-05-09 01:44:14,822 INFO [main.py:798]
{rank 0/64} MD step = 434800 step time: 00:00:00.161798 Performance: 66.358 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:44:21,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434800 86960 149.5 -1932.9 16386 -18319 -18319 -0.00047146 -0.00034288 0.00045717 7.0319e+05 2024-05-09 01:44:34,987 INFO [main.py:798]
{rank 0/64} MD step = 434900 step time: 00:00:00.137082 Performance: 66.362 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:44:45,078 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 150.48 -1857.6 16492 -18350 -18350 -0.00036193 -0.00038097 0.00068575 7.0334e+05 2024-05-09 01:45:01,058 INFO [main.py:798]
{rank 0/64} MD step = 435000 step time: 00:00:00.138045 Performance: 66.362 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:45:11,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435000 87000 149.88 -1809.3 16427 -18236 -18236 -0.00051431 -0.00080005 0.00053336 7.0351e+05 2024-05-09 01:45:25,343 INFO [main.py:798]
{rank 0/64} MD step = 435100 step time: 00:00:00.130867 Performance: 66.363 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:45:37,294 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 151.27 -1808.9 16579 -18388 -18388 -0.00051431 -0.00095243 0.00041907 7.0365e+05 2024-05-09 01:45:51,508 INFO [main.py:798]
{rank 0/64} MD step = 435200 step time: 00:00:00.144507 Performance: 66.363 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:46:02,932 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 151.47 -1865.6 16602 -18467 -18467 -0.00081909 -0.00026668 0.00045717 7.0384e+05 2024-05-09 01:46:18,093 INFO [main.py:798]
{rank 0/64} MD step = 435300 step time: 00:00:00.143152 Performance: 66.362 ns/day 0.362 hours/ns 3.840 steps/s 2024-05-09 01:46:24,091 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 147.31 -2311.3 16145 -18457 -18457 -0.00048574 -0.00099053 0.0004286 7.0402e+05 2024-05-09 01:46:38,597 INFO [main.py:798]
{rank 0/64} MD step = 435400 step time: 00:00:00.148139 Performance: 66.366 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-09 01:46:43,902 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 150.02 -1949 16443 -18392 -18392 -0.00060956 -0.00085719 0.00063813 7.0419e+05 2024-05-09 01:47:01,574 INFO [main.py:798]
{rank 0/64} MD step = 435500 step time: 00:00:00.153895 Performance: 66.367 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-09 01:47:07,292 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 149.88 -1945.6 16427 -18373 -18373 -0.00085719 -0.0007048 0.00072385 7.0434e+05 2024-05-09 01:47:23,039 INFO [main.py:798]
{rank 0/64} MD step = 435600 step time: 00:00:00.156550 Performance: 66.370 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-09 01:47:28,287 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 150.46 -1899.9 16491 -18391 -18391 -0.00041907 -0.00045717 0.00045717 7.0453e+05 2024-05-09 01:47:44,715 INFO [main.py:798]
{rank 0/64} MD step = 435700 step time: 00:00:00.159614 Performance: 66.373 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-09 01:47:51,087 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 150.65 -1669.1 16512 -18181 -18181 -0.00032859 -0.00084767 0.00017144 7.0475e+05 2024-05-09 01:48:06,526 INFO [main.py:798]
{rank 0/64} MD step = 435800 step time: 00:00:00.156427 Performance: 66.375 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-09 01:48:14,354 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 150.36 -1765.1 16479 -18244 -18244 -0.00057146 -0.00076195 0.00030478 7.0491e+05 2024-05-09 01:48:29,927 INFO [main.py:798]
{rank 0/64} MD step = 435900 step time: 00:00:00.152373 Performance: 66.377 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-09 01:48:38,453 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 150.39 -1794.4 16483 -18278 -18278 -0.00081909 -0.00080005 0.00076195 7.0508e+05 2024-05-09 01:48:54,006 INFO [main.py:798]
{rank 0/64} MD step = 436000 step time: 00:00:00.153063 Performance: 66.378 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-09 01:49:00,060 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 149.64 -1969.6 16401 -18371 -18371 -0.00038097 -0.00030478 0.00092386 7.0523e+05 2024-05-09 01:49:15,787 INFO [main.py:798]
{rank 0/64} MD step = 436100 step time: 00:00:00.151715 Performance: 66.380 ns/day 0.362 hours/ns 3.841 steps/s 2024-05-09 01:49:24,252 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 148.79 -2097.5 16307 -18405 -18405 -0.00085719 -0.00020954 0.0010096 7.0539e+05 2024-05-09 01:49:40,135 INFO [main.py:798]
{rank 0/64} MD step = 436200 step time: 00:00:00.161885 Performance: 66.381 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-09 01:49:46,034 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 150.85 -1758.9 16533 -18292 -18292 -0.00051431 -0.00058099 0.00038097 7.0552e+05 2024-05-09 01:50:01,278 INFO [main.py:798]
{rank 0/64} MD step = 436300 step time: 00:00:00.150547 Performance: 66.384 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-09 01:50:07,497 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 148.15 -2118.1 16237 -18355 -18355 -0.00045717 -0.00068575 0.00051431 7.0566e+05 2024-05-09 01:50:23,224 INFO [main.py:798]
{rank 0/64} MD step = 436400 step time: 00:00:00.140085 Performance: 66.386 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-09 01:50:29,098 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 147.79 -2264.9 16198 -18463 -18463 -0.0007048 -0.00083814 0.0007429 7.0582e+05 2024-05-09 01:50:45,022 INFO [main.py:798]
{rank 0/64} MD step = 436500 step time: 00:00:00.157501 Performance: 66.389 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-09 01:50:53,582 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 148.72 -1890.1 16300 -18190 -18190 -0.00060956 -0.00045717 0.00047622 7.0595e+05 2024-05-09 01:51:09,350 INFO [main.py:798]
{rank 0/64} MD step = 436600 step time: 00:00:00.148761 Performance: 66.390 ns/day 0.362 hours/ns 3.842 steps/s 2024-05-09 01:51:16,129 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 151.3 -1675.9 16582 -18258 -18258 -0.000781 -0.00043812 0.00076195 7.0615e+05 2024-05-09 01:51:31,789 INFO [main.py:798]
{rank 0/64} MD step = 436700 step time: 00:00:00.140597 Performance: 66.392 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-09 01:51:39,343 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 151.98 -1810.2 16657 -18468 -18468 -0.00055241 -0.00051431 0.00049527 7.0627e+05 2024-05-09 01:51:55,177 INFO [main.py:798]
{rank 0/64} MD step = 436800 step time: 00:00:00.153893 Performance: 66.394 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-09 01:52:02,542 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 150.67 -1755.7 16513 -18269 -18269 -0.00064766 -0.0007429 0.00060956 7.0649e+05 2024-05-09 01:52:18,028 INFO [main.py:798]
{rank 0/64} MD step = 436900 step time: 00:00:00.143949 Performance: 66.395 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-09 01:52:23,278 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 151.39 -1803.5 16593 -18396 -18396 -0.00089529 -0.0010096 0.00055241 7.0667e+05 2024-05-09 01:52:40,561 INFO [main.py:798]
{rank 0/64} MD step = 437000 step time: 00:00:00.151516 Performance: 66.397 ns/day 0.361 hours/ns 3.842 steps/s 2024-05-09 01:52:47,588 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 150.47 -1983.5 16491 -18475 -18475 -0.00093339 -0.00068575 0.00076195 7.0688e+05 2024-05-09 01:53:03,243 INFO [main.py:798]
{rank 0/64} MD step = 437100 step time: 00:00:00.151485 Performance: 66.399 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:53:11,095 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 149.5 -2159.8 16386 -18546 -18546 -0.00095243 -0.00055241 0.00036193 7.0703e+05 2024-05-09 01:53:26,955 INFO [main.py:798]
{rank 0/64} MD step = 437200 step time: 00:00:00.152195 Performance: 66.401 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:53:32,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437200 87440 149.49 -2104.5 16384 -18489 -18489 -0.00041907 -0.00053336 0.00041907 7.0716e+05 2024-05-09 01:53:48,576 INFO [main.py:798]
{rank 0/64} MD step = 437300 step time: 00:00:00.152403 Performance: 66.403 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:53:55,336 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 151.44 -2018.4 16598 -18617 -18617 -0.00080005 -0.00087624 0.00049527 7.073e+05 2024-05-09 01:54:13,823 INFO [main.py:798]
{rank 0/64} MD step = 437400 step time: 00:00:00.165584 Performance: 66.404 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:54:20,437 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 148.9 -2136.2 16320 -18456 -18456 -0.00055241 -0.00054289 0.00057146 7.0754e+05 2024-05-09 01:54:35,887 INFO [main.py:798]
{rank 0/64} MD step = 437500 step time: 00:00:00.150872 Performance: 66.406 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:54:42,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437500 87500 150.78 -2091.1 16526 -18617 -18617 -0.00024763 -0.000781 0.00049527 7.077e+05 2024-05-09 01:54:57,936 INFO [main.py:798]
{rank 0/64} MD step = 437600 step time: 00:00:00.164658 Performance: 66.408 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:55:04,603 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 150.85 -2046.6 16534 -18580 -18580 -0.00045717 -0.00040002 0.00059051 7.0788e+05 2024-05-09 01:55:19,758 INFO [main.py:798]
{rank 0/64} MD step = 437700 step time: 00:00:00.160079 Performance: 66.411 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:55:26,507 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 151.52 -2012.9 16607 -18619 -18619 -0.00076195 -0.00060956 0.00065718 7.0808e+05 2024-05-09 01:55:42,370 INFO [main.py:798]
{rank 0/64} MD step = 437800 step time: 00:00:00.154719 Performance: 66.413 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:55:47,812 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 149.21 -2193.6 16354 -18547 -18547 -0.00041907 -0.00076195 0.00064766 7.0823e+05 2024-05-09 01:56:03,544 INFO [main.py:798]
{rank 0/64} MD step = 437900 step time: 00:00:00.157693 Performance: 66.416 ns/day 0.361 hours/ns 3.843 steps/s 2024-05-09 01:56:09,620 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 150.13 -2022.5 16454 -18477 -18477 -0.00087624 -0.00030478 0.00075719 7.0839e+05 2024-05-09 01:56:25,375 INFO [main.py:798]
{rank 0/64} MD step = 438000 step time: 00:00:00.157575 Performance: 66.418 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:56:32,640 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 148.9 -2076.4 16319 -18396 -18396 -0.00049527 -0.00058099 0.00081909 7.0855e+05 2024-05-09 01:56:47,753 INFO [main.py:798]
{rank 0/64} MD step = 438100 step time: 00:00:00.144955 Performance: 66.420 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:57:04,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438100 87620 152.99 -1734.6 16768 -18503 -18503 -0.00080957 -0.00064766 0.00041907 7.087e+05 2024-05-09 01:57:19,205 INFO [main.py:798]
{rank 0/64} MD step = 438200 step time: 00:00:00.148060 Performance: 66.417 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:57:30,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438200 87640 150.77 -1908.4 16525 -18433 -18433 -0.00028573 -0.0010286 0.00080005 7.0883e+05 2024-05-09 01:57:45,168 INFO [main.py:798]
{rank 0/64} MD step = 438300 step time: 00:00:00.166921 Performance: 66.417 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:57:51,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438300 87660 149.6 -2042.4 16396 -18439 -18439 -0.00060956 -0.00083814 0.0010286 7.0898e+05 2024-05-09 01:58:06,998 INFO [main.py:798]
{rank 0/64} MD step = 438400 step time: 00:00:00.148359 Performance: 66.420 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:58:13,413 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 150.26 -2063.6 16469 -18532 -18532 -0.00087624 -0.00030478 0.00091434 7.0917e+05 2024-05-09 01:58:29,100 INFO [main.py:798]
{rank 0/64} MD step = 438500 step time: 00:00:00.140296 Performance: 66.422 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:58:34,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438500 87700 149.35 -1960.7 16369 -18330 -18330 -0.00068575 -0.00026668 0.00073337 7.0934e+05 2024-05-09 01:58:51,806 INFO [main.py:798]
{rank 0/64} MD step = 438600 step time: 00:00:00.149664 Performance: 66.424 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:58:58,925 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 149.17 -2166.3 16349 -18515 -18515 -0.00053336 -0.00087624 -7.6195e-05 7.0952e+05 2024-05-09 01:59:14,164 INFO [main.py:798]
{rank 0/64} MD step = 438700 step time: 00:00:00.145890 Performance: 66.426 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:59:20,425 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 149.71 -2011.5 16409 -18420 -18420 -0.00030478 -0.00076195 0.00068575 7.0963e+05 2024-05-09 01:59:36,117 INFO [main.py:798]
{rank 0/64} MD step = 438800 step time: 00:00:00.147857 Performance: 66.428 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 01:59:44,124 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 151.29 -1705.9 16581 -18287 -18287 -0.00049527 -0.00045717 0.00034288 7.0985e+05 2024-05-09 02:00:00,157 INFO [main.py:798]
{rank 0/64} MD step = 438900 step time: 00:00:00.141091 Performance: 66.429 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 02:00:08,859 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 148.72 -2131.4 16300 -18431 -18431 -0.00064766 -0.00049527 0.00062861 7.1004e+05 2024-05-09 02:00:25,152 INFO [main.py:798]
{rank 0/64} MD step = 439000 step time: 00:00:00.143432 Performance: 66.430 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 02:00:31,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439000 87800 151.01 -1779.1 16551 -18330 -18330 -0.00068575 -0.00032383 0.00060956 7.1023e+05 2024-05-09 02:00:47,979 INFO [main.py:798]
{rank 0/64} MD step = 439100 step time: 00:00:00.140073 Performance: 66.432 ns/day 0.361 hours/ns 3.844 steps/s 2024-05-09 02:00:54,035 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 149.93 -2112.8 16433 -18546 -18546 -0.00091434 -0.00054289 0.00041907 7.1037e+05 2024-05-09 02:01:10,320 INFO [main.py:798]
{rank 0/64} MD step = 439200 step time: 00:00:00.141429 Performance: 66.434 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:01:16,842 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 150.47 -2150.9 16492 -18643 -18643 -0.00045717 -0.00028573 0.00053336 7.1051e+05 2024-05-09 02:01:33,227 INFO [main.py:798]
{rank 0/64} MD step = 439300 step time: 00:00:00.150055 Performance: 66.436 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:01:40,431 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 149.9 -2077.3 16430 -18507 -18507 -7.6195e-05 -0.00015239 0.0010382 7.1066e+05 2024-05-09 02:01:57,267 INFO [main.py:798]
{rank 0/64} MD step = 439400 step time: 00:00:00.148248 Performance: 66.437 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:02:05,111 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 149.72 -1928 16410 -18338 -18338 -0.0006667 -0.00068575 0.00041907 7.1079e+05 2024-05-09 02:02:21,053 INFO [main.py:798]
{rank 0/64} MD step = 439500 step time: 00:00:00.156217 Performance: 66.438 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:02:28,430 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 148.61 -1969.1 16287 -18256 -18256 -0.00064766 -0.00049527 0.00057146 7.1092e+05 2024-05-09 02:02:44,245 INFO [main.py:798]
{rank 0/64} MD step = 439600 step time: 00:00:00.144576 Performance: 66.440 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:02:51,957 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 149.95 -2141 16435 -18576 -18576 -0.00040002 -0.00040002 0.00053336 7.1106e+05 2024-05-09 02:03:06,746 INFO [main.py:798]
{rank 0/64} MD step = 439700 step time: 00:00:00.136123 Performance: 66.442 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:03:14,920 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 150.95 -1925.3 16545 -18470 -18470 -0.00040002 -0.00053336 0.00064766 7.1122e+05 2024-05-09 02:03:29,684 INFO [main.py:798]
{rank 0/64} MD step = 439800 step time: 00:00:00.161562 Performance: 66.444 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:03:36,551 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 150.05 -2161.9 16445 -18607 -18607 -0.00026668 -0.000781 0.00069528 7.1143e+05 2024-05-09 02:03:52,585 INFO [main.py:798]
{rank 0/64} MD step = 439900 step time: 00:00:00.133228 Performance: 66.445 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:04:00,498 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 148.55 -2287 16281 -18568 -18568 -0.0010286 -0.00058099 0.00083814 7.1157e+05 2024-05-09 02:04:16,365 INFO [main.py:798]
{rank 0/64} MD step = 440000 step time: 00:00:00.160564 Performance: 66.447 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:04:26,397 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 150.87 -2050 16536 -18586 -18586 -0.00064766 -0.00076195 0.00051431 7.1171e+05 2024-05-09 02:04:41,904 INFO [main.py:798]
{rank 0/64} MD step = 440100 step time: 00:00:00.155050 Performance: 66.447 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:04:48,949 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 151.02 -2147.9 16552 -18700 -18700 -0.0007048 -0.0010286 0.00034288 7.118e+05 2024-05-09 02:05:03,840 INFO [main.py:798]
{rank 0/64} MD step = 440200 step time: 00:00:00.160763 Performance: 66.449 ns/day 0.361 hours/ns 3.845 steps/s 2024-05-09 02:05:11,506 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 151.81 -1591.2 16639 -18230 -18230 -0.00068575 -0.00099053 0.00060956 7.1197e+05 2024-05-09 02:05:26,555 INFO [main.py:798]
{rank 0/64} MD step = 440300 step time: 00:00:00.148514 Performance: 66.451 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:05:33,314 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 150.65 -2039 16511 -18550 -18550 -0.00080005 -0.00053336 0.00034288 7.1215e+05 2024-05-09 02:05:48,701 INFO [main.py:798]
{rank 0/64} MD step = 440400 step time: 00:00:00.155248 Performance: 66.454 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:05:57,671 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 149.18 -2120.4 16350 -18470 -18470 -0.00080005 -0.00068575 0.00083814 7.1232e+05 2024-05-09 02:06:13,216 INFO [main.py:798]
{rank 0/64} MD step = 440500 step time: 00:00:00.155896 Performance: 66.454 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:06:23,916 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 150.88 -1627.3 16537 -18164 -18164 -0.00055241 -0.00043812 0.00053336 7.1247e+05 2024-05-09 02:06:38,544 INFO [main.py:798]
{rank 0/64} MD step = 440600 step time: 00:00:00.157113 Performance: 66.455 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:06:45,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440600 88120 146.5 -2302.8 16057 -18359 -18359 -0.0007048 -0.0010382 -0.00022858 7.1264e+05 2024-05-09 02:07:00,680 INFO [main.py:798]
{rank 0/64} MD step = 440700 step time: 00:00:00.150354 Performance: 66.457 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:07:07,332 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 151.01 -1901.5 16551 -18453 -18453 -0.00072385 -0.00034288 0.00041907 7.1273e+05 2024-05-09 02:07:22,523 INFO [main.py:798]
{rank 0/64} MD step = 440800 step time: 00:00:00.152067 Performance: 66.459 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:07:30,819 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 151.17 -1753.3 16568 -18322 -18322 -0.00038097 -0.00087624 0.00040002 7.1292e+05 2024-05-09 02:07:46,604 INFO [main.py:798]
{rank 0/64} MD step = 440900 step time: 00:00:00.159409 Performance: 66.461 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:07:56,004 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 149.01 -2037.3 16331 -18368 -18368 -0.00089529 -0.00020954 0.00041907 7.1308e+05 2024-05-09 02:08:11,178 INFO [main.py:798]
{rank 0/64} MD step = 441000 step time: 00:00:00.154536 Performance: 66.461 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:08:16,866 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 150.11 -2000.8 16453 -18453 -18453 -0.00044764 -0.00083814 0.00030478 7.1325e+05 2024-05-09 02:08:33,868 INFO [main.py:798]
{rank 0/64} MD step = 441100 step time: 00:00:00.154637 Performance: 66.463 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:08:39,955 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 149.72 -1829.5 16410 -18240 -18240 -0.00062861 -0.00083814 0.00060956 7.1342e+05 2024-05-09 02:08:56,283 INFO [main.py:798]
{rank 0/64} MD step = 441200 step time: 00:00:00.192803 Performance: 66.465 ns/day 0.361 hours/ns 3.846 steps/s 2024-05-09 02:09:00,740 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 150.62 -1898 16508 -18406 -18406 -0.00019049 -0.00049527 0.000781 7.1358e+05 2024-05-09 02:09:18,011 INFO [main.py:798]
{rank 0/64} MD step = 441300 step time: 00:00:00.159082 Performance: 66.468 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:09:24,449 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 152.22 -1666.2 16684 -18350 -18350 -0.00053336 -0.00099053 0.00072385 7.1375e+05 2024-05-09 02:09:40,270 INFO [main.py:798]
{rank 0/64} MD step = 441400 step time: 00:00:00.156949 Performance: 66.470 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:09:47,105 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 149.61 -2076.6 16397 -18474 -18474 -0.00076195 -0.00048574 0.00060956 7.1386e+05 2024-05-09 02:10:02,877 INFO [main.py:798]
{rank 0/64} MD step = 441500 step time: 00:00:00.159977 Performance: 66.472 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:10:09,115 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 150.6 -1948.7 16506 -18455 -18455 -0.00041907 -0.00082862 0.0007429 7.1404e+05 2024-05-09 02:10:24,806 INFO [main.py:798]
{rank 0/64} MD step = 441600 step time: 00:00:00.158412 Performance: 66.474 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:10:32,332 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 149.27 -1871.8 16361 -18233 -18233 -0.00083814 -0.00081909 0.00076195 7.1424e+05 2024-05-09 02:10:47,997 INFO [main.py:798]
{rank 0/64} MD step = 441700 step time: 00:00:00.157457 Performance: 66.476 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:10:55,024 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 149.02 -1976.2 16333 -18309 -18309 -0.00086672 -0.00059051 0.00045717 7.1442e+05 2024-05-09 02:11:10,382 INFO [main.py:798]
{rank 0/64} MD step = 441800 step time: 00:00:00.149344 Performance: 66.478 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:11:15,808 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 151.13 -1961.6 16564 -18526 -18526 -0.00053336 -0.00068575 0.00032383 7.1453e+05 2024-05-09 02:11:31,413 INFO [main.py:798]
{rank 0/64} MD step = 441900 step time: 00:00:00.137540 Performance: 66.481 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:11:39,215 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 150.04 -1945.8 16445 -18390 -18390 -0.00045717 -0.00064766 0.00087624 7.1478e+05 2024-05-09 02:11:54,919 INFO [main.py:798]
{rank 0/64} MD step = 442000 step time: 00:00:00.153011 Performance: 66.482 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:12:01,536 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 150.14 -1707.7 16455 -18163 -18163 -0.00057146 -0.00080005 0.0006667 7.1494e+05 2024-05-09 02:12:17,081 INFO [main.py:798]
{rank 0/64} MD step = 442100 step time: 00:00:00.150551 Performance: 66.485 ns/day 0.361 hours/ns 3.847 steps/s 2024-05-09 02:12:22,950 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 149.99 -1900.2 16439 -18339 -18339 -0.00060956 -0.00049527 0.00097148 7.1507e+05 2024-05-09 02:12:38,652 INFO [main.py:798]
{rank 0/64} MD step = 442200 step time: 00:00:00.160124 Performance: 66.487 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:12:43,581 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 149.61 -1953.4 16397 -18351 -18351 -0.00080005 -0.00080957 0.00087624 7.1524e+05 2024-05-09 02:13:00,897 INFO [main.py:798]
{rank 0/64} MD step = 442300 step time: 00:00:00.150061 Performance: 66.489 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:13:07,680 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 152.04 -1649.5 16664 -18313 -18313 -0.00068575 -0.0007048 0.00025716 7.154e+05 2024-05-09 02:13:24,077 INFO [main.py:798]
{rank 0/64} MD step = 442400 step time: 00:00:00.142644 Performance: 66.491 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:13:30,170 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 150.74 -1848.2 16522 -18370 -18370 -0.00045717 -0.00076195 0.00051431 7.1559e+05 2024-05-09 02:13:45,952 INFO [main.py:798]
{rank 0/64} MD step = 442500 step time: 00:00:00.150544 Performance: 66.493 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:13:52,455 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 150.15 -2163.7 16457 -18621 -18621 -0.00080481 -0.00068575 0.00043812 7.1576e+05 2024-05-09 02:14:10,208 INFO [main.py:798]
{rank 0/64} MD step = 442600 step time: 00:00:00.151021 Performance: 66.494 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:14:19,281 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 149.95 -2061.2 16435 -18496 -18496 -0.00091434 -0.00049527 0.00060956 7.1588e+05 2024-05-09 02:14:35,177 INFO [main.py:798]
{rank 0/64} MD step = 442700 step time: 00:00:00.134731 Performance: 66.495 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:14:41,605 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 150.21 -1955.7 16463 -18418 -18418 -0.00032383 -0.00038097 0.00026668 7.161e+05 2024-05-09 02:14:57,388 INFO [main.py:798]
{rank 0/64} MD step = 442800 step time: 00:00:00.151344 Performance: 66.497 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:15:03,719 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 148.38 -2170.7 16263 -18434 -18434 -0.00045717 -0.00022858 0.00038097 7.1623e+05 2024-05-09 02:15:19,403 INFO [main.py:798]
{rank 0/64} MD step = 442900 step time: 00:00:00.143627 Performance: 66.499 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:15:26,156 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 149.88 -1937.9 16427 -18365 -18365 -0.00070004 -0.000781 0.00040478 7.1642e+05 2024-05-09 02:15:42,290 INFO [main.py:798]
{rank 0/64} MD step = 443000 step time: 00:00:00.149036 Performance: 66.501 ns/day 0.361 hours/ns 3.848 steps/s 2024-05-09 02:15:46,418 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 148.7 -2240.2 16298 -18538 -18538 -0.00076195 -0.00076195 0.00045717 7.1654e+05 2024-05-09 02:16:03,451 INFO [main.py:798]
{rank 0/64} MD step = 443100 step time: 00:00:00.155380 Performance: 66.504 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:16:10,196 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 149.11 -2124.5 16343 -18467 -18467 -0.00041907 -0.0003143 0.00080005 7.1674e+05 2024-05-09 02:16:25,592 INFO [main.py:798]
{rank 0/64} MD step = 443200 step time: 00:00:00.141913 Performance: 66.506 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:16:32,194 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 149.06 -1960.1 16337 -18297 -18297 -0.00038097 -0.00044764 0.00076195 7.1695e+05 2024-05-09 02:16:48,204 INFO [main.py:798]
{rank 0/64} MD step = 443300 step time: 00:00:00.158378 Performance: 66.508 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:16:55,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443300 88660 151.34 -1589.5 16587 -18176 -18176 -0.00060956 -0.00049527 0.00080957 7.1714e+05 2024-05-09 02:17:11,439 INFO [main.py:798]
{rank 0/64} MD step = 443400 step time: 00:00:00.165278 Performance: 66.510 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:17:15,582 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 150.45 -1845.7 16489 -18335 -18335 -0.00030478 -0.0011429 0.00064766 7.1733e+05 2024-05-09 02:17:33,244 INFO [main.py:798]
{rank 0/64} MD step = 443500 step time: 00:00:00.163365 Performance: 66.512 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:17:38,926 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 152.12 -1605.1 16673 -18278 -18278 -0.0007048 -0.00058099 0.00045717 7.1744e+05 2024-05-09 02:17:54,522 INFO [main.py:798]
{rank 0/64} MD step = 443600 step time: 00:00:00.167985 Performance: 66.515 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:18:00,291 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 148.34 -2102.3 16259 -18361 -18361 -0.0007429 -0.00064766 0.00038097 7.1758e+05 2024-05-09 02:18:15,545 INFO [main.py:798]
{rank 0/64} MD step = 443700 step time: 00:00:00.166396 Performance: 66.518 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:18:22,115 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 149.6 -2130.1 16397 -18527 -18527 -0.0010096 -0.00057146 0.00040955 7.1774e+05 2024-05-09 02:18:37,464 INFO [main.py:798]
{rank 0/64} MD step = 443800 step time: 00:00:00.168982 Performance: 66.520 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:18:50,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443800 88760 150.24 -1766.7 16466 -18233 -18233 -0.0007429 -0.000781 0.00049527 7.1791e+05 2024-05-09 02:19:05,862 INFO [main.py:798]
{rank 0/64} MD step = 443900 step time: 00:00:00.166070 Performance: 66.519 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:19:14,785 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 152.54 -1840.6 16718 -18559 -18559 -0.00030478 -0.00041907 0.00040002 7.1808e+05 2024-05-09 02:19:31,953 INFO [main.py:798]
{rank 0/64} MD step = 444000 step time: 00:00:00.161895 Performance: 66.519 ns/day 0.361 hours/ns 3.849 steps/s 2024-05-09 02:19:39,144 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 152.33 -1702.4 16695 -18398 -18398 -0.00072861 -0.00045717 0.00041907 7.1827e+05 2024-05-09 02:19:55,193 INFO [main.py:798]
{rank 0/64} MD step = 444100 step time: 00:00:00.153855 Performance: 66.520 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:20:00,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444100 88820 148.08 -2296.4 16230 -18526 -18526 -0.0007048 -0.00095243 0.00040002 7.1837e+05 2024-05-09 02:20:17,538 INFO [main.py:798]
{rank 0/64} MD step = 444200 step time: 00:00:00.161624 Performance: 66.522 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:20:22,789 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 150.71 -1865.1 16518 -18383 -18383 -0.00081433 -0.00091434 0.00045717 7.1857e+05 2024-05-09 02:20:38,878 INFO [main.py:798]
{rank 0/64} MD step = 444300 step time: 00:00:00.154205 Performance: 66.525 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:20:45,214 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 150.56 -1855.3 16502 -18357 -18357 -0.00037145 -0.00034288 0.00057146 7.1874e+05 2024-05-09 02:21:01,395 INFO [main.py:798]
{rank 0/64} MD step = 444400 step time: 00:00:00.153814 Performance: 66.527 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:21:06,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444400 88880 151.2 -1848.4 16571 -18420 -18420 -0.00064766 -0.00076195 0.00076195 7.1889e+05 2024-05-09 02:21:23,787 INFO [main.py:798]
{rank 0/64} MD step = 444500 step time: 00:00:00.160757 Performance: 66.529 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:21:30,852 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 149.51 -2033.2 16387 -18420 -18420 -0.00053336 -0.00076195 0.0006667 7.1908e+05 2024-05-09 02:21:46,883 INFO [main.py:798]
{rank 0/64} MD step = 444600 step time: 00:00:00.157263 Performance: 66.531 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:21:52,775 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 148.61 -2263.4 16288 -18552 -18552 -0.00080957 -0.00060956 0.00045717 7.1923e+05 2024-05-09 02:22:10,863 INFO [main.py:798]
{rank 0/64} MD step = 444700 step time: 00:00:00.155852 Performance: 66.532 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:22:17,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444700 88940 151.64 -1926.5 16620 -18546 -18546 -0.00034288 -0.00073337 0.00034288 7.1935e+05 2024-05-09 02:22:32,403 INFO [main.py:798]
{rank 0/64} MD step = 444800 step time: 00:00:00.155709 Performance: 66.534 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:22:39,172 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 147.89 -2077.7 16209 -18287 -18287 -0.00099053 -0.0007048 0.00041907 7.1955e+05 2024-05-09 02:22:55,363 INFO [main.py:798]
{rank 0/64} MD step = 444900 step time: 00:00:00.154347 Performance: 66.536 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:23:05,897 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 150.02 -1882.6 16442 -18324 -18324 -0.00051431 -0.0011048 0.00068575 7.1971e+05 2024-05-09 02:23:21,480 INFO [main.py:798]
{rank 0/64} MD step = 445000 step time: 00:00:00.153034 Performance: 66.536 ns/day 0.361 hours/ns 3.850 steps/s 2024-05-09 02:23:27,496 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 149.78 -1837.3 16416 -18253 -18253 -0.0007048 -0.00064766 0.00060956 7.1988e+05 2024-05-09 02:23:43,235 INFO [main.py:798]
{rank 0/64} MD step = 445100 step time: 00:00:00.154665 Performance: 66.538 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-09 02:23:49,951 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 149.26 -1870.8 16359 -18230 -18230 -0.00080005 -0.00050479 0.000781 7.2002e+05 2024-05-09 02:24:05,369 INFO [main.py:798]
{rank 0/64} MD step = 445200 step time: 00:00:00.146381 Performance: 66.541 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-09 02:24:11,798 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 151.61 -1857.7 16616 -18474 -18474 -0.00091434 -0.00062861 0.00040002 7.2009e+05 2024-05-09 02:24:27,254 INFO [main.py:798]
{rank 0/64} MD step = 445300 step time: 00:00:00.158178 Performance: 66.543 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-09 02:24:33,345 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 150.32 -1928.5 16475 -18404 -18404 -0.00060956 -0.00053336 0.00038097 7.2029e+05 2024-05-09 02:24:49,007 INFO [main.py:798]
{rank 0/64} MD step = 445400 step time: 00:00:00.151288 Performance: 66.545 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-09 02:24:56,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445400 89080 150.19 -1841.4 16461 -18303 -18303 -0.00038097 -0.00047622 0.00080005 7.2042e+05 2024-05-09 02:25:11,496 INFO [main.py:798]
{rank 0/64} MD step = 445500 step time: 00:00:00.157269 Performance: 66.547 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-09 02:25:17,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445500 89100 149.73 -2093.8 16410 -18504 -18504 -0.00038097 -0.00036193 0.00047622 7.2054e+05 2024-05-09 02:25:32,734 INFO [main.py:798]
{rank 0/64} MD step = 445600 step time: 00:00:00.140400 Performance: 66.550 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-09 02:25:39,247 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 149.51 -2198.5 16386 -18585 -18585 -0.00090481 -0.00030478 0.0007048 7.207e+05 2024-05-09 02:25:54,652 INFO [main.py:798]
{rank 0/64} MD step = 445700 step time: 00:00:00.144548 Performance: 66.552 ns/day 0.361 hours/ns 3.851 steps/s 2024-05-09 02:26:00,333 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 151.36 -1861.9 16590 -18451 -18451 -0.0006667 -0.00057146 0.00038097 7.2088e+05 2024-05-09 02:26:16,320 INFO [main.py:798]
{rank 0/64} MD step = 445800 step time: 00:00:00.162447 Performance: 66.555 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:26:21,849 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 150.37 -2047.5 16481 -18528 -18528 -0.00099053 -0.00034288 0.00015239 7.2109e+05 2024-05-09 02:26:37,734 INFO [main.py:798]
{rank 0/64} MD step = 445900 step time: 00:00:00.162994 Performance: 66.558 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:26:43,257 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 149.78 -2006.9 16416 -18423 -18423 -0.00034764 -0.00081909 0.00047146 7.2125e+05 2024-05-09 02:26:59,601 INFO [main.py:798]
{rank 0/64} MD step = 446000 step time: 00:00:00.157839 Performance: 66.560 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:27:03,473 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 149.17 -1985.2 16349 -18334 -18334 -0.00059051 -0.0010286 0.00045717 7.2142e+05 2024-05-09 02:27:20,703 INFO [main.py:798]
{rank 0/64} MD step = 446100 step time: 00:00:00.159585 Performance: 66.563 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:27:26,624 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 149.88 -2129.1 16427 -18556 -18556 -0.00052384 -0.00053336 0.00064766 7.2153e+05 2024-05-09 02:27:42,530 INFO [main.py:798]
{rank 0/64} MD step = 446200 step time: 00:00:00.152191 Performance: 66.565 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:27:49,078 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 149.07 -2047.8 16338 -18386 -18386 -0.00047622 -0.00057146 0.00083814 7.2175e+05 2024-05-09 02:28:04,907 INFO [main.py:798]
{rank 0/64} MD step = 446300 step time: 00:00:00.153232 Performance: 66.567 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:28:10,446 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 152.31 -1798 16693 -18491 -18491 -0.00091434 -0.00087624 0.00034288 7.2188e+05 2024-05-09 02:28:26,287 INFO [main.py:798]
{rank 0/64} MD step = 446400 step time: 00:00:00.182175 Performance: 66.570 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:28:34,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446400 89280 149.36 -1836.7 16370 -18206 -18206 -0.00057146 -0.00076195 0.00051431 7.2204e+05 2024-05-09 02:28:49,730 INFO [main.py:798]
{rank 0/64} MD step = 446500 step time: 00:00:00.152048 Performance: 66.571 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:28:54,467 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 151.25 -1776.1 16577 -18353 -18353 -0.0003524 -0.00080005 0.0007048 7.2218e+05 2024-05-09 02:29:10,598 INFO [main.py:798]
{rank 0/64} MD step = 446600 step time: 00:00:00.157785 Performance: 66.574 ns/day 0.361 hours/ns 3.853 steps/s 2024-05-09 02:29:21,206 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 151.69 -1778.8 16625 -18404 -18404 -0.00051431 -0.00051431 0.00045717 7.2229e+05 2024-05-09 02:29:36,643 INFO [main.py:798]
{rank 0/64} MD step = 446700 step time: 00:00:00.141386 Performance: 66.574 ns/day 0.361 hours/ns 3.853 steps/s 2024-05-09 02:29:53,090 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 150.33 -2175.2 16477 -18652 -18652 -0.00045717 -0.00060956 0.00068575 7.2247e+05 2024-05-09 02:30:11,195 INFO [main.py:798]
{rank 0/64} MD step = 446800 step time: 00:00:00.155678 Performance: 66.569 ns/day 0.361 hours/ns 3.852 steps/s 2024-05-09 02:30:17,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446800 89360 148.79 -2069.7 16308 -18378 -18378 -0.00068575 -0.00083814 0.00057146 7.2263e+05 2024-05-09 02:30:33,209 INFO [main.py:798]
{rank 0/64} MD step = 446900 step time: 00:00:00.168977 Performance: 66.571 ns/day 0.361 hours/ns 3.853 steps/s 2024-05-09 02:30:39,442 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 148.61 -2092.1 16288 -18380 -18380 -0.00045717 -0.00062861 0.00068575 7.2279e+05 2024-05-09 02:30:55,546 INFO [main.py:798]
{rank 0/64} MD step = 447000 step time: 00:00:00.163552 Performance: 66.573 ns/day 0.361 hours/ns 3.853 steps/s 2024-05-09 02:31:01,575 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 149.36 -1859.3 16370 -18229 -18229 -0.00053336 -0.00041907 0.00024287 7.2298e+05 2024-05-09 02:31:17,826 INFO [main.py:798]
{rank 0/64} MD step = 447100 step time: 00:00:00.159510 Performance: 66.576 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-09 02:31:26,051 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 150.49 -1855.3 16493 -18349 -18349 -0.00064766 -0.00072385 0.00019049 7.2309e+05 2024-05-09 02:31:41,811 INFO [main.py:798]
{rank 0/64} MD step = 447200 step time: 00:00:00.166455 Performance: 66.577 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-09 02:31:48,094 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 149.96 -1999 16435 -18434 -18434 -0.00040002 -0.00060003 0.00062861 7.2328e+05 2024-05-09 02:32:03,940 INFO [main.py:798]
{rank 0/64} MD step = 447300 step time: 00:00:00.159709 Performance: 66.579 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-09 02:32:09,587 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 149.62 -2256 16399 -18655 -18655 -0.00022858 -0.00057146 0.00049527 7.2338e+05 2024-05-09 02:32:25,643 INFO [main.py:798]
{rank 0/64} MD step = 447400 step time: 00:00:00.155481 Performance: 66.581 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-09 02:32:31,414 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 151.6 -2175.1 16615 -18790 -18790 -0.00053336 -0.00057146 0.00038097 7.2356e+05 2024-05-09 02:32:47,253 INFO [main.py:798]
{rank 0/64} MD step = 447500 step time: 00:00:00.156608 Performance: 66.584 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-09 02:32:54,129 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 154.33 -1696.4 16915 -18611 -18611 -0.00091434 -0.00072385 0.00045717 7.2375e+05 2024-05-09 02:33:09,347 INFO [main.py:798]
{rank 0/64} MD step = 447600 step time: 00:00:00.159849 Performance: 66.586 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-09 02:33:16,281 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 149.62 -2169.6 16399 -18568 -18568 -0.00099053 -0.00024763 0.00057146 7.2385e+05 2024-05-09 02:33:31,979 INFO [main.py:798]
{rank 0/64} MD step = 447700 step time: 00:00:00.162204 Performance: 66.588 ns/day 0.360 hours/ns 3.853 steps/s 2024-05-09 02:33:38,634 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 148.99 -2296 16329 -18625 -18625 -0.00072385 -0.00091434 0.0003524 7.2404e+05 2024-05-09 02:33:54,094 INFO [main.py:798]
{rank 0/64} MD step = 447800 step time: 00:00:00.159843 Performance: 66.590 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-09 02:34:00,158 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 151.44 -1658.6 16598 -18257 -18257 -0.00053336 -0.00064289 0.00030478 7.2419e+05 2024-05-09 02:34:17,923 INFO [main.py:798]
{rank 0/64} MD step = 447900 step time: 00:00:00.152839 Performance: 66.591 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-09 02:34:25,698 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 149.81 -1887.7 16419 -18307 -18307 -0.00071433 -0.00056194 0 7.2438e+05 2024-05-09 02:34:40,591 INFO [main.py:798]
{rank 0/64} MD step = 448000 step time: 00:00:00.158923 Performance: 66.593 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-09 02:34:45,463 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 148.11 -2157.7 16233 -18390 -18390 -0.0007048 -0.00038097 0.00038097 7.2453e+05 2024-05-09 02:35:02,287 INFO [main.py:798]
{rank 0/64} MD step = 448100 step time: 00:00:00.175517 Performance: 66.596 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-09 02:35:08,127 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 147.92 -2280.2 16213 -18493 -18493 -0.00057146 -0.00083814 0.00064766 7.2469e+05 2024-05-09 02:35:23,565 INFO [main.py:798]
{rank 0/64} MD step = 448200 step time: 00:00:00.152902 Performance: 66.598 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-09 02:35:28,669 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 150.18 -2145.9 16459 -18605 -18605 -0.0010667 -0.00037145 0.00052384 7.2485e+05 2024-05-09 02:35:44,146 INFO [main.py:798]
{rank 0/64} MD step = 448300 step time: 00:00:00.153204 Performance: 66.601 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-09 02:35:49,550 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 151.26 -1717.6 16579 -18296 -18296 -0.00087624 -0.00080005 0.00064766 7.2505e+05 2024-05-09 02:36:05,299 INFO [main.py:798]
{rank 0/64} MD step = 448400 step time: 00:00:00.145609 Performance: 66.604 ns/day 0.360 hours/ns 3.854 steps/s 2024-05-09 02:36:12,203 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 150.12 -2010.1 16453 -18463 -18463 -0.000781 -0.00050479 0.00076195 7.2514e+05 2024-05-09 02:36:28,194 INFO [main.py:798]
{rank 0/64} MD step = 448500 step time: 00:00:00.142177 Performance: 66.606 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:36:32,230 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 150.38 -1725.4 16482 -18207 -18207 -0.00072385 -0.00061908 0.00044764 7.2535e+05 2024-05-09 02:36:50,546 INFO [main.py:798]
{rank 0/64} MD step = 448600 step time: 00:00:00.149424 Performance: 66.608 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:36:56,748 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 150.57 -1983.3 16503 -18486 -18486 -0.00064766 -0.00061908 0.00087624 7.2546e+05 2024-05-09 02:37:12,709 INFO [main.py:798]
{rank 0/64} MD step = 448700 step time: 00:00:00.151866 Performance: 66.610 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:37:18,443 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 148.53 -2191.8 16280 -18471 -18471 -0.00055241 -0.00041907 0.0006667 7.2564e+05 2024-05-09 02:37:34,097 INFO [main.py:798]
{rank 0/64} MD step = 448800 step time: 00:00:00.153199 Performance: 66.613 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:37:41,214 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 150.15 -1914.2 16456 -18370 -18370 -0.00068575 -0.00057146 0.00024763 7.2579e+05 2024-05-09 02:37:57,385 INFO [main.py:798]
{rank 0/64} MD step = 448900 step time: 00:00:00.161857 Performance: 66.614 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:38:05,244 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 149.27 -2152.6 16360 -18513 -18513 -0.00034288 -0.00055241 0.00076195 7.2593e+05 2024-05-09 02:38:21,002 INFO [main.py:798]
{rank 0/64} MD step = 449000 step time: 00:00:00.145262 Performance: 66.616 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:38:28,543 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 152.17 -1924.7 16678 -18603 -18603 -0.00072385 -0.0007048 0.00053336 7.2607e+05 2024-05-09 02:38:44,801 INFO [main.py:798]
{rank 0/64} MD step = 449100 step time: 00:00:00.151456 Performance: 66.617 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:38:50,175 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 151.54 -2069.6 16609 -18678 -18678 -0.00050479 -0.00076195 0.0007048 7.2625e+05 2024-05-09 02:39:05,874 INFO [main.py:798]
{rank 0/64} MD step = 449200 step time: 00:00:00.155272 Performance: 66.620 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:39:12,264 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 148.91 -2150.1 16321 -18471 -18471 -0.00057146 -0.00060956 0.00099053 7.2642e+05 2024-05-09 02:39:30,085 INFO [main.py:798]
{rank 0/64} MD step = 449300 step time: 00:00:00.159665 Performance: 66.621 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:39:36,982 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 149.55 -1971.6 16391 -18363 -18363 -0.00092386 -0.00036193 0.00057146 7.2661e+05 2024-05-09 02:39:52,560 INFO [main.py:798]
{rank 0/64} MD step = 449400 step time: 00:00:00.151580 Performance: 66.623 ns/day 0.360 hours/ns 3.855 steps/s 2024-05-09 02:39:58,725 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 149.66 -1907.8 16403 -18310 -18310 -0.00076195 -0.00040002 0.00049527 7.2678e+05 2024-05-09 02:40:14,318 INFO [main.py:798]
{rank 0/64} MD step = 449500 step time: 00:00:00.156108 Performance: 66.625 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:40:20,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449500 89900 150.08 -1839 16448 -18288 -18288 -0.00080005 -0.00057146 0.00082862 7.2692e+05 2024-05-09 02:40:36,968 INFO [main.py:798]
{rank 0/64} MD step = 449600 step time: 00:00:00.158126 Performance: 66.627 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:40:41,933 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 151.68 -1720.7 16624 -18345 -18345 -0.00041907 -0.00062861 0.00028573 7.2707e+05 2024-05-09 02:40:59,322 INFO [main.py:798]
{rank 0/64} MD step = 449700 step time: 00:00:00.160242 Performance: 66.629 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:41:05,829 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 147.2 -2177.2 16134 -18311 -18311 -0.00062861 -0.00068575 0.00076671 7.272e+05 2024-05-09 02:41:22,014 INFO [main.py:798]
{rank 0/64} MD step = 449800 step time: 00:00:00.164570 Performance: 66.631 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:41:28,489 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 148.77 -2226.2 16305 -18531 -18531 -0.00034288 -0.00079052 0.00072385 7.2736e+05 2024-05-09 02:41:44,631 INFO [main.py:798]
{rank 0/64} MD step = 449900 step time: 00:00:00.168304 Performance: 66.633 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:41:51,763 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 149.72 -1998.9 16409 -18408 -18408 -0.00057146 -0.00072385 0.00076195 7.2754e+05 2024-05-09 02:42:07,931 INFO [main.py:798]
{rank 0/64} MD step = 450000 step time: 00:00:00.166424 Performance: 66.634 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:42:14,368 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 148.29 -2172.4 16252 -18425 -18425 -0.000781 -0.00068575 0.00064766 7.2767e+05 2024-05-09 02:42:30,984 INFO [main.py:798]
{rank 0/64} MD step = 450100 step time: 00:00:00.160004 Performance: 66.636 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:42:37,866 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 151.27 -1954.3 16579 -18534 -18534 -0.00059051 -0.00057146 0.0012191 7.2783e+05 2024-05-09 02:42:53,228 INFO [main.py:798]
{rank 0/64} MD step = 450200 step time: 00:00:00.156311 Performance: 66.638 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:43:02,142 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 150.64 -2068.4 16511 -18579 -18579 -0.00085719 -0.00057146 0.00022858 7.2802e+05 2024-05-09 02:43:16,807 INFO [main.py:798]
{rank 0/64} MD step = 450300 step time: 00:00:00.153633 Performance: 66.639 ns/day 0.360 hours/ns 3.856 steps/s 2024-05-09 02:43:23,999 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 150.76 -1893.8 16523 -18417 -18417 -0.00041907 -0.00036193 0.00095243 7.2819e+05 2024-05-09 02:43:39,566 INFO [main.py:798]
{rank 0/64} MD step = 450400 step time: 00:00:00.150209 Performance: 66.641 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:43:46,992 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 148.97 -2136.8 16328 -18464 -18464 -0.00060956 -0.00091434 0.00045717 7.2835e+05 2024-05-09 02:44:02,116 INFO [main.py:798]
{rank 0/64} MD step = 450500 step time: 00:00:00.151838 Performance: 66.643 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:44:08,623 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 150.62 -2091.4 16508 -18599 -18599 -0.00095243 -0.00040002 0.00053336 7.2853e+05 2024-05-09 02:44:25,114 INFO [main.py:798]
{rank 0/64} MD step = 450600 step time: 00:00:00.155867 Performance: 66.645 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:44:31,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450600 90120 148.41 -2394.8 16266 -18661 -18661 -0.00048574 -0.00061908 0.00069528 7.2868e+05 2024-05-09 02:44:46,571 INFO [main.py:798]
{rank 0/64} MD step = 450700 step time: 00:00:00.143124 Performance: 66.647 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:44:52,978 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 149.27 -2327 16361 -18687 -18687 -0.00053336 -0.00028573 0.00060956 7.2882e+05 2024-05-09 02:45:08,293 INFO [main.py:798]
{rank 0/64} MD step = 450800 step time: 00:00:00.156295 Performance: 66.650 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:45:13,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450800 90160 149.69 -2158.7 16406 -18564 -18564 -0.00076195 -0.00044764 0.00038097 7.2901e+05 2024-05-09 02:45:29,458 INFO [main.py:798]
{rank 0/64} MD step = 450900 step time: 00:00:00.155328 Performance: 66.652 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:45:36,740 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 149.35 -2284.9 16369 -18654 -18654 -0.00091434 -0.00072385 0.00057146 7.2918e+05 2024-05-09 02:45:52,512 INFO [main.py:798]
{rank 0/64} MD step = 451000 step time: 00:00:00.161779 Performance: 66.654 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:45:58,551 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 150.94 -1888.8 16544 -18433 -18433 -0.00026668 -0.00040955 0.00045717 7.2938e+05 2024-05-09 02:46:14,282 INFO [main.py:798]
{rank 0/64} MD step = 451100 step time: 00:00:00.159380 Performance: 66.656 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:46:20,180 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 151.47 -1794.3 16601 -18395 -18395 -0.00073337 -0.00099053 0.00087624 7.2954e+05 2024-05-09 02:46:36,236 INFO [main.py:798]
{rank 0/64} MD step = 451200 step time: 00:00:00.183036 Performance: 66.659 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:46:41,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451200 90240 151.96 -1822.2 16655 -18478 -18478 -0.00060956 -0.00030478 0.0010096 7.2968e+05 2024-05-09 02:47:06,404 INFO [main.py:798]
{rank 0/64} MD step = 451300 step time: 00:00:00.168565 Performance: 66.656 ns/day 0.360 hours/ns 3.857 steps/s 2024-05-09 02:47:13,059 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 147.7 -2241 16188 -18429 -18429 -0.00091434 -0.00045717 0.00055241 7.2989e+05 2024-05-09 02:47:28,612 INFO [main.py:798]
{rank 0/64} MD step = 451400 step time: 00:00:00.160980 Performance: 66.658 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:47:34,288 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 149.88 -1932.6 16426 -18359 -18359 -0.00045717 -0.00041907 0.00080005 7.3008e+05 2024-05-09 02:47:49,992 INFO [main.py:798]
{rank 0/64} MD step = 451500 step time: 00:00:00.170423 Performance: 66.661 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:47:55,405 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 149.82 -1833.7 16421 -18254 -18254 -0.00043812 -0.00060956 0.00087624 7.3022e+05 2024-05-09 02:48:11,039 INFO [main.py:798]
{rank 0/64} MD step = 451600 step time: 00:00:00.156570 Performance: 66.664 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:48:17,091 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 150.62 -1814.6 16508 -18323 -18323 -0.00097148 -0.0010096 0.00053336 7.3039e+05 2024-05-09 02:48:32,728 INFO [main.py:798]
{rank 0/64} MD step = 451700 step time: 00:00:00.156323 Performance: 66.666 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:48:39,609 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 149.36 -2109.2 16370 -18479 -18479 -0.00049527 -0.00045717 0.000781 7.3052e+05 2024-05-09 02:48:55,420 INFO [main.py:798]
{rank 0/64} MD step = 451800 step time: 00:00:00.163224 Performance: 66.668 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:49:00,843 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 149.23 -2453.6 16356 -18810 -18810 -0.00093339 -0.00049527 7.6195e-05 7.3068e+05 2024-05-09 02:49:15,908 INFO [main.py:798]
{rank 0/64} MD step = 451900 step time: 00:00:00.167398 Performance: 66.671 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:49:21,342 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 151.41 -1484.9 16594 -18079 -18079 -0.00051431 -0.00089529 0.00068575 7.3087e+05 2024-05-09 02:49:37,111 INFO [main.py:798]
{rank 0/64} MD step = 452000 step time: 00:00:00.167777 Performance: 66.674 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:49:45,192 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 151.9 -1718.9 16648 -18367 -18367 -0.00082862 -0.00068575 0.00038097 7.3101e+05 2024-05-09 02:50:01,163 INFO [main.py:798]
{rank 0/64} MD step = 452100 step time: 00:00:00.164710 Performance: 66.675 ns/day 0.360 hours/ns 3.858 steps/s 2024-05-09 02:50:06,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452100 90420 148.4 -2252.4 16265 -18517 -18517 -0.00047622 -0.00083814 0.00068575 7.3119e+05 2024-05-09 02:50:22,348 INFO [main.py:798]
{rank 0/64} MD step = 452200 step time: 00:00:00.168716 Performance: 66.677 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-09 02:50:28,619 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 150.32 -2077.5 16476 -18553 -18553 -0.0007429 -0.00043812 0.00062861 7.3136e+05 2024-05-09 02:50:44,442 INFO [main.py:798]
{rank 0/64} MD step = 452300 step time: 00:00:00.162001 Performance: 66.680 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-09 02:50:50,507 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 152 -1797 16659 -18456 -18456 -0.00034288 -0.00083814 0.0006667 7.3156e+05 2024-05-09 02:51:06,498 INFO [main.py:798]
{rank 0/64} MD step = 452400 step time: 00:00:00.165036 Performance: 66.682 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-09 02:51:11,672 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 148.33 -2267 16257 -18524 -18524 -0.0007429 -0.00080005 0.00060956 7.3173e+05 2024-05-09 02:51:29,475 INFO [main.py:798]
{rank 0/64} MD step = 452500 step time: 00:00:00.170763 Performance: 66.683 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-09 02:51:36,079 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 151.96 -1692.3 16655 -18347 -18347 -0.00049527 -0.00056194 0.00041907 7.3189e+05 2024-05-09 02:51:51,646 INFO [main.py:798]
{rank 0/64} MD step = 452600 step time: 00:00:00.161549 Performance: 66.686 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-09 02:51:56,881 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 149.09 -2024.9 16340 -18365 -18365 -0.00053336 -0.00045717 0.00049527 7.3204e+05 2024-05-09 02:52:12,823 INFO [main.py:798]
{rank 0/64} MD step = 452700 step time: 00:00:00.157494 Performance: 66.688 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-09 02:52:19,058 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 150.37 -2027 16480 -18507 -18507 -0.0006667 -0.00064766 0.00034288 7.3223e+05 2024-05-09 02:52:34,264 INFO [main.py:798]
{rank 0/64} MD step = 452800 step time: 00:00:00.158022 Performance: 66.691 ns/day 0.360 hours/ns 3.859 steps/s 2024-05-09 02:52:39,826 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 148.96 -2127.4 16326 -18453 -18453 -0.00068575 -0.00072385 0.00087624 7.3235e+05 2024-05-09 02:52:55,502 INFO [main.py:798]
{rank 0/64} MD step = 452900 step time: 00:00:00.154502 Performance: 66.693 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-09 02:53:00,810 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 149.64 -1992.6 16400 -18393 -18393 -0.00049527 -0.00043812 0.00053336 7.325e+05 2024-05-09 02:53:19,674 INFO [main.py:798]
{rank 0/64} MD step = 453000 step time: 00:00:00.149567 Performance: 66.694 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-09 02:53:25,582 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 150.3 -1941.2 16473 -18414 -18414 -0.00030478 -0.00055241 0.00059051 7.3264e+05 2024-05-09 02:53:41,051 INFO [main.py:798]
{rank 0/64} MD step = 453100 step time: 00:00:00.154369 Performance: 66.697 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-09 02:53:45,958 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 148.03 -2258.2 16224 -18483 -18483 -0.0006667 -0.00041907 0.00045717 7.3279e+05 2024-05-09 02:54:01,711 INFO [main.py:798]
{rank 0/64} MD step = 453200 step time: 00:00:00.163067 Performance: 66.700 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-09 02:54:07,836 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 146.94 -2426.2 16105 -18531 -18531 -0.00068575 -0.00037145 0.00045717 7.3294e+05 2024-05-09 02:54:23,892 INFO [main.py:798]
{rank 0/64} MD step = 453300 step time: 00:00:00.164717 Performance: 66.702 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-09 02:54:30,398 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 150.25 -1954.6 16468 -18422 -18422 -0.00053336 -0.0004286 0.00056194 7.331e+05 2024-05-09 02:54:46,076 INFO [main.py:798]
{rank 0/64} MD step = 453400 step time: 00:00:00.160506 Performance: 66.704 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-09 02:54:53,086 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 148.28 -2154.5 16252 -18406 -18406 -0.00083814 -0.00053336 0.00080005 7.3325e+05 2024-05-09 02:55:08,744 INFO [main.py:798]
{rank 0/64} MD step = 453500 step time: 00:00:00.160871 Performance: 66.706 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-09 02:55:14,389 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 150.26 -2003 16469 -18472 -18472 -0.00059051 -0.00059051 0.00089529 7.3339e+05 2024-05-09 02:55:29,879 INFO [main.py:798]
{rank 0/64} MD step = 453600 step time: 00:00:00.161997 Performance: 66.709 ns/day 0.360 hours/ns 3.860 steps/s 2024-05-09 02:55:35,326 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 151.93 -1649.9 16652 -18302 -18302 -0.00040002 -0.00040002 0.00064766 7.3355e+05 2024-05-09 02:55:51,330 INFO [main.py:798]
{rank 0/64} MD step = 453700 step time: 00:00:00.161340 Performance: 66.711 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:55:54,806 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 149.15 -1984.1 16347 -18331 -18331 -0.00057146 -0.00054289 0.000781 7.3376e+05 2024-05-09 02:56:12,132 INFO [main.py:798]
{rank 0/64} MD step = 453800 step time: 00:00:00.158466 Performance: 66.714 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:56:24,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453800 90760 149.34 -1861.8 16368 -18230 -18230 -0.00079052 -0.00019049 0.00068575 7.3386e+05 2024-05-09 02:56:39,748 INFO [main.py:798]
{rank 0/64} MD step = 453900 step time: 00:00:00.144639 Performance: 66.713 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:56:44,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453900 90780 150.5 -2158 16494 -18652 -18652 -0.00034288 -0.00057146 0.00080005 7.3403e+05 2024-05-09 02:57:01,742 INFO [main.py:798]
{rank 0/64} MD step = 454000 step time: 00:00:00.151708 Performance: 66.715 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:57:07,684 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 149.77 -1962.2 16415 -18377 -18377 -0.00070956 -0.00040002 0.00060956 7.3422e+05 2024-05-09 02:57:24,014 INFO [main.py:798]
{rank 0/64} MD step = 454100 step time: 00:00:00.152257 Performance: 66.717 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:57:29,881 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 150.03 -1862.6 16443 -18306 -18306 -0.00022858 -0.00057146 0.00020001 7.3435e+05 2024-05-09 02:57:45,891 INFO [main.py:798]
{rank 0/64} MD step = 454200 step time: 00:00:00.160304 Performance: 66.720 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:57:58,410 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 148.93 -2121.9 16323 -18444 -18444 -0.00043812 -0.00047622 0.000781 7.345e+05 2024-05-09 02:58:14,139 INFO [main.py:798]
{rank 0/64} MD step = 454300 step time: 00:00:00.174298 Performance: 66.718 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:58:21,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454300 90860 151.38 -1705.6 16592 -18297 -18297 -0.0007048 -0.00049527 0.00060956 7.3467e+05 2024-05-09 02:58:37,034 INFO [main.py:798]
{rank 0/64} MD step = 454400 step time: 00:00:00.157924 Performance: 66.720 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:58:43,254 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 151.13 -1815.3 16564 -18379 -18379 -0.00059051 -0.00064766 0.00050479 7.3481e+05 2024-05-09 02:58:59,208 INFO [main.py:798]
{rank 0/64} MD step = 454500 step time: 00:00:00.156890 Performance: 66.722 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:59:05,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454500 90900 151.52 -1810.7 16607 -18418 -18418 -0.00080005 -0.00034288 0.00068575 7.3505e+05 2024-05-09 02:59:20,816 INFO [main.py:798]
{rank 0/64} MD step = 454600 step time: 00:00:00.166821 Performance: 66.725 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:59:27,974 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 147.72 -2438.4 16190 -18629 -18629 -0.00055241 -0.00067623 0.0010191 7.3519e+05 2024-05-09 02:59:43,528 INFO [main.py:798]
{rank 0/64} MD step = 454700 step time: 00:00:00.167903 Performance: 66.726 ns/day 0.360 hours/ns 3.861 steps/s 2024-05-09 02:59:50,350 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 150.6 -1902.9 16506 -18409 -18409 -0.0006667 -0.0007429 0.00053336 7.3534e+05 2024-05-09 03:00:05,618 INFO [main.py:798]
{rank 0/64} MD step = 454800 step time: 00:00:00.162860 Performance: 66.729 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 03:00:13,257 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 150.52 -1914.4 16497 -18411 -18411 -0.00068575 -0.00060956 0.00054765 7.3554e+05 2024-05-09 03:00:28,643 INFO [main.py:798]
{rank 0/64} MD step = 454900 step time: 00:00:00.154210 Performance: 66.730 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 03:00:35,193 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 151.85 -1708.7 16643 -18351 -18351 -0.00053336 -0.00060956 6.667e-05 7.3569e+05 2024-05-09 03:00:51,150 INFO [main.py:798]
{rank 0/64} MD step = 455000 step time: 00:00:00.164255 Performance: 66.732 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 03:00:56,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455000 91000 147.59 -2398.6 16176 -18574 -18574 -0.00060003 -0.00081909 0.00057146 7.3584e+05 2024-05-09 03:01:12,222 INFO [main.py:798]
{rank 0/64} MD step = 455100 step time: 00:00:00.162366 Performance: 66.735 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 03:01:19,692 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 148.94 -1960.7 16324 -18284 -18284 -0.00073337 -0.00057146 0.00049527 7.3601e+05 2024-05-09 03:01:34,799 INFO [main.py:798]
{rank 0/64} MD step = 455200 step time: 00:00:00.148913 Performance: 66.737 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 03:01:40,097 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 151 -1737.1 16549 -18286 -18286 -0.00043812 -0.00068575 0.00072385 7.3621e+05 2024-05-09 03:01:55,523 INFO [main.py:798]
{rank 0/64} MD step = 455300 step time: 00:00:00.160392 Performance: 66.740 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 03:02:05,260 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 150.46 -1829 16491 -18320 -18320 -0.00053336 -0.00094291 0.00055241 7.3628e+05 2024-05-09 03:02:20,357 INFO [main.py:798]
{rank 0/64} MD step = 455400 step time: 00:00:00.182921 Performance: 66.740 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 03:02:27,728 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 151.64 -1726.2 16620 -18346 -18346 -0.0007048 -0.00080005 0 7.3647e+05 2024-05-09 03:02:43,385 INFO [main.py:798]
{rank 0/64} MD step = 455500 step time: 00:00:00.169714 Performance: 66.742 ns/day 0.360 hours/ns 3.862 steps/s 2024-05-09 03:02:49,428 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 150.02 -2021.3 16443 -18464 -18464 -0.00053336 -0.00069528 0.00064766 7.366e+05 2024-05-09 03:03:04,803 INFO [main.py:798]
{rank 0/64} MD step = 455600 step time: 00:00:00.155597 Performance: 66.744 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 03:03:11,903 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 149.53 -1959.4 16389 -18348 -18348 -0.00028573 -0.00095243 -0.00015239 7.3676e+05 2024-05-09 03:03:28,002 INFO [main.py:798]
{rank 0/64} MD step = 455700 step time: 00:00:00.154408 Performance: 66.746 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 03:03:33,414 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 150.19 -1948.3 16461 -18410 -18410 -0.00043336 -0.00040002 0.00036193 7.3694e+05 2024-05-09 03:03:48,944 INFO [main.py:798]
{rank 0/64} MD step = 455800 step time: 00:00:00.149273 Performance: 66.749 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 03:03:56,640 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 150.77 -1920.6 16524 -18445 -18445 -0.00076195 -0.00094291 0.00038097 7.3709e+05 2024-05-09 03:04:12,536 INFO [main.py:798]
{rank 0/64} MD step = 455900 step time: 00:00:00.151190 Performance: 66.750 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 03:04:18,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455900 91180 150.39 -1794.6 16483 -18278 -18278 -0.00030478 -0.00041907 0.00049527 7.3726e+05 2024-05-09 03:04:36,341 INFO [main.py:798]
{rank 0/64} MD step = 456000 step time: 00:00:00.146568 Performance: 66.751 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 03:04:42,654 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 151.1 -1822.7 16560 -18383 -18383 -0.00057146 -0.00053336 0.00036193 7.3734e+05 2024-05-09 03:04:58,403 INFO [main.py:798]
{rank 0/64} MD step = 456100 step time: 00:00:00.152771 Performance: 66.753 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 03:05:04,954 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 149.35 -1997.4 16369 -18366 -18366 -0.00032383 -0.0006667 0.00076195 7.3751e+05 2024-05-09 03:05:20,192 INFO [main.py:798]
{rank 0/64} MD step = 456200 step time: 00:00:00.157152 Performance: 66.756 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 03:05:26,964 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 152.42 -1771.6 16706 -18477 -18477 -0.00087624 -0.00076195 0.00087624 7.3767e+05 2024-05-09 03:05:42,449 INFO [main.py:798]
{rank 0/64} MD step = 456300 step time: 00:00:00.158763 Performance: 66.758 ns/day 0.360 hours/ns 3.863 steps/s 2024-05-09 03:05:49,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456300 91260 151.6 -1919.7 16615 -18535 -18535 -0.00057146 -0.00087624 0.0006667 7.3783e+05 2024-05-09 03:06:05,316 INFO [main.py:798]
{rank 0/64} MD step = 456400 step time: 00:00:00.160722 Performance: 66.759 ns/day 0.359 hours/ns 3.863 steps/s 2024-05-09 03:06:11,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456400 91280 149.94 -2043.1 16433 -18476 -18476 -0.00080005 -0.00076195 0.0007048 7.3795e+05 2024-05-09 03:06:27,429 INFO [main.py:798]
{rank 0/64} MD step = 456500 step time: 00:00:00.166464 Performance: 66.762 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:06:35,338 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 148.58 -2252.6 16285 -18538 -18538 -0.00091434 -0.00076195 0.00062861 7.3813e+05 2024-05-09 03:06:50,027 INFO [main.py:798]
{rank 0/64} MD step = 456600 step time: 00:00:00.160644 Performance: 66.763 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:06:56,783 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 148.4 -2003.7 16265 -18269 -18269 -0.00064766 -0.0007429 0.00049527 7.3829e+05 2024-05-09 03:07:14,092 INFO [main.py:798]
{rank 0/64} MD step = 456700 step time: 00:00:00.165622 Performance: 66.764 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:07:21,206 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 151.35 -1778.2 16588 -18366 -18366 -0.00062384 -0.00059051 0.00060956 7.3847e+05 2024-05-09 03:07:36,458 INFO [main.py:798]
{rank 0/64} MD step = 456800 step time: 00:00:00.162660 Performance: 66.766 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:07:48,759 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 151.41 -1901.5 16595 -18497 -18497 -0.00053336 -0.00064766 0.00083814 7.386e+05 2024-05-09 03:08:05,144 INFO [main.py:798]
{rank 0/64} MD step = 456900 step time: 00:00:00.160309 Performance: 66.765 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:08:12,684 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 148.74 -2224.5 16302 -18527 -18527 -0.00055241 -0.00072385 0.00053336 7.3876e+05 2024-05-09 03:08:28,368 INFO [main.py:798]
{rank 0/64} MD step = 457000 step time: 00:00:00.162385 Performance: 66.766 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:08:35,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457000 91400 147.92 -2187 16212 -18399 -18399 -0.00055241 -0.00099053 0.00099053 7.3893e+05 2024-05-09 03:08:51,261 INFO [main.py:798]
{rank 0/64} MD step = 457100 step time: 00:00:00.161368 Performance: 66.768 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:08:57,676 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 150.64 -2054.2 16510 -18564 -18564 -0.0007048 -0.00062861 0.00045717 7.3908e+05 2024-05-09 03:09:12,852 INFO [main.py:798]
{rank 0/64} MD step = 457200 step time: 00:00:00.161842 Performance: 66.771 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:09:18,665 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 147.94 -2278.6 16214 -18493 -18493 -0.00079052 -0.00068575 0.0006667 7.3923e+05 2024-05-09 03:09:34,525 INFO [main.py:798]
{rank 0/64} MD step = 457300 step time: 00:00:00.163379 Performance: 66.773 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:09:40,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457300 91460 149.96 -1940.1 16436 -18376 -18376 -0.00045717 -0.00064766 0.00076195 7.3947e+05 2024-05-09 03:09:56,091 INFO [main.py:798]
{rank 0/64} MD step = 457400 step time: 00:00:00.155229 Performance: 66.775 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:10:02,557 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 150.21 -2013.4 16463 -18477 -18477 -0.00051431 -0.00027621 0.00041907 7.3967e+05 2024-05-09 03:10:17,694 INFO [main.py:798]
{rank 0/64} MD step = 457500 step time: 00:00:00.160854 Performance: 66.778 ns/day 0.359 hours/ns 3.864 steps/s 2024-05-09 03:10:23,644 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 149.39 -1964.9 16374 -18339 -18339 -0.00038097 -0.00076195 0.00026668 7.3981e+05 2024-05-09 03:10:39,411 INFO [main.py:798]
{rank 0/64} MD step = 457600 step time: 00:00:00.164313 Performance: 66.780 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:10:46,202 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 152.13 -1782 16674 -18456 -18456 -0.00053336 -0.0007429 0.00068575 7.3995e+05 2024-05-09 03:11:01,803 INFO [main.py:798]
{rank 0/64} MD step = 457700 step time: 00:00:00.162065 Performance: 66.782 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:11:06,676 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 150.07 -1912.9 16448 -18360 -18360 -0.00053336 -0.00034288 0.00030478 7.4012e+05 2024-05-09 03:11:23,618 INFO [main.py:798]
{rank 0/64} MD step = 457800 step time: 00:00:00.160546 Performance: 66.784 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:11:30,415 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 150.96 -1765.2 16545 -18310 -18310 -0.00076195 -0.00055241 0.00060956 7.4027e+05 2024-05-09 03:11:45,934 INFO [main.py:798]
{rank 0/64} MD step = 457900 step time: 00:00:00.165562 Performance: 66.786 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:11:55,305 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 151.57 -1941.2 16612 -18553 -18553 -0.00054289 -0.00080005 0.00068575 7.4046e+05 2024-05-09 03:12:10,694 INFO [main.py:798]
{rank 0/64} MD step = 458000 step time: 00:00:00.164473 Performance: 66.787 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:12:17,214 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 149.97 -2092.1 16436 -18528 -18528 -0.00083814 -0.00075242 0.00045717 7.4057e+05 2024-05-09 03:12:32,940 INFO [main.py:798]
{rank 0/64} MD step = 458100 step time: 00:00:00.170155 Performance: 66.789 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:12:38,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458100 91620 151.95 -1819.9 16654 -18474 -18474 -0.00073337 -0.000781 0.00057146 7.4071e+05 2024-05-09 03:12:55,967 INFO [main.py:798]
{rank 0/64} MD step = 458200 step time: 00:00:00.161742 Performance: 66.791 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:13:02,170 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 150.11 -1968.5 16452 -18420 -18420 -0.00068575 -0.00064766 0.000781 7.4086e+05 2024-05-09 03:13:18,795 INFO [main.py:798]
{rank 0/64} MD step = 458300 step time: 00:00:00.155767 Performance: 66.792 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:13:26,235 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 151.75 -1722.7 16632 -18355 -18355 -0.00085719 -0.00049527 0.00053336 7.4107e+05 2024-05-09 03:13:41,856 INFO [main.py:798]
{rank 0/64} MD step = 458400 step time: 00:00:00.158088 Performance: 66.794 ns/day 0.359 hours/ns 3.865 steps/s 2024-05-09 03:13:46,829 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 150.46 -1895.2 16491 -18386 -18386 -0.00083814 -0.00045717 0.00043812 7.4124e+05 2024-05-09 03:14:03,993 INFO [main.py:798]
{rank 0/64} MD step = 458500 step time: 00:00:00.152583 Performance: 66.796 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:14:10,798 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 149.33 -1928.8 16367 -18296 -18296 -0.00034288 -0.00083814 0.00083814 7.4136e+05 2024-05-09 03:14:26,086 INFO [main.py:798]
{rank 0/64} MD step = 458600 step time: 00:00:00.160017 Performance: 66.798 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:14:32,184 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 151.78 -1583.9 16635 -18219 -18219 -0.00064766 -0.00076195 0.00024763 7.4158e+05 2024-05-09 03:14:47,693 INFO [main.py:798]
{rank 0/64} MD step = 458700 step time: 00:00:00.156737 Performance: 66.801 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:14:54,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458700 91740 150.1 -1890.1 16452 -18342 -18342 -0.00026668 -0.00086672 0.00087624 7.4176e+05 2024-05-09 03:15:10,069 INFO [main.py:798]
{rank 0/64} MD step = 458800 step time: 00:00:00.146022 Performance: 66.802 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:15:16,401 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 148.88 -2197.4 16317 -18514 -18514 -0.00045717 -0.00064766 0.00060956 7.4191e+05 2024-05-09 03:15:32,775 INFO [main.py:798]
{rank 0/64} MD step = 458900 step time: 00:00:00.165279 Performance: 66.804 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:15:37,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458900 91780 149.17 -1889.8 16349 -18239 -18239 -0.00095243 -0.00034288 0.00080957 7.4207e+05 2024-05-09 03:15:54,817 INFO [main.py:798]
{rank 0/64} MD step = 459000 step time: 00:00:00.157286 Performance: 66.806 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:16:00,917 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 150.22 -1810.4 16465 -18275 -18275 -0.00045241 -0.0010667 0.00036193 7.4226e+05 2024-05-09 03:16:16,963 INFO [main.py:798]
{rank 0/64} MD step = 459100 step time: 00:00:00.155768 Performance: 66.809 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:16:23,809 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 149.82 -2126.9 16420 -18547 -18547 -0.00015239 -0.00045717 0.00091434 7.4246e+05 2024-05-09 03:16:39,387 INFO [main.py:798]
{rank 0/64} MD step = 459200 step time: 00:00:00.151054 Performance: 66.810 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:16:45,532 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 149.57 -1835.2 16393 -18228 -18228 -0.00068575 -0.0004286 0.0006667 7.4266e+05 2024-05-09 03:17:02,672 INFO [main.py:798]
{rank 0/64} MD step = 459300 step time: 00:00:00.157584 Performance: 66.812 ns/day 0.359 hours/ns 3.866 steps/s 2024-05-09 03:17:08,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459300 91860 150.18 -1965.4 16460 -18425 -18425 -0.00043812 -0.0007429 0.00068575 7.4281e+05 2024-05-09 03:17:24,949 INFO [main.py:798]
{rank 0/64} MD step = 459400 step time: 00:00:00.158425 Performance: 66.814 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:17:33,649 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 150.07 -2096.4 16448 -18545 -18545 -0.00026668 -0.00038097 0.00080005 7.4297e+05 2024-05-09 03:17:49,501 INFO [main.py:798]
{rank 0/64} MD step = 459500 step time: 00:00:00.167423 Performance: 66.815 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:17:56,950 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 149.19 -2174.8 16351 -18526 -18526 -0.00045717 -0.0006667 0.00080005 7.4308e+05 2024-05-09 03:18:12,176 INFO [main.py:798]
{rank 0/64} MD step = 459600 step time: 00:00:00.162504 Performance: 66.816 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:18:18,428 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 150.84 -2075.2 16533 -18608 -18608 -0.00019049 -0.00092386 0.0007429 7.4324e+05 2024-05-09 03:18:34,297 INFO [main.py:798]
{rank 0/64} MD step = 459700 step time: 00:00:00.161545 Performance: 66.819 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:18:39,766 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 150.88 -1878.3 16537 -18415 -18415 -0.0007048 -0.00043812 0.00077147 7.4339e+05 2024-05-09 03:18:55,271 INFO [main.py:798]
{rank 0/64} MD step = 459800 step time: 00:00:00.158505 Performance: 66.821 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:19:00,501 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 150.07 -1769.3 16448 -18217 -18217 -0.00081909 -0.00072385 0.00083814 7.4355e+05 2024-05-09 03:19:16,653 INFO [main.py:798]
{rank 0/64} MD step = 459900 step time: 00:00:00.157847 Performance: 66.824 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:19:24,117 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 150.89 -1714.9 16538 -18253 -18253 -0.00052384 -0.00043812 0.00057146 7.4369e+05 2024-05-09 03:19:39,992 INFO [main.py:798]
{rank 0/64} MD step = 460000 step time: 00:00:00.156537 Performance: 66.825 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:19:45,353 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 153.17 -1833.7 16788 -18621 -18621 -0.00087624 -0.00045717 0.00072385 7.4381e+05 2024-05-09 03:20:01,751 INFO [main.py:798]
{rank 0/64} MD step = 460100 step time: 00:00:00.170588 Performance: 66.828 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:20:07,358 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 150.7 -1969.9 16516 -18486 -18486 -0.00043812 -0.00041907 0.00045717 7.4399e+05 2024-05-09 03:20:23,061 INFO [main.py:798]
{rank 0/64} MD step = 460200 step time: 00:00:00.163006 Performance: 66.830 ns/day 0.359 hours/ns 3.867 steps/s 2024-05-09 03:20:29,987 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 152.43 -1607.4 16707 -18314 -18314 -0.00045717 -0.00021906 0.00022858 7.4417e+05 2024-05-09 03:20:45,726 INFO [main.py:798]
{rank 0/64} MD step = 460300 step time: 00:00:00.165646 Performance: 66.832 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 03:20:52,620 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 150.93 -1845.9 16542 -18387 -18387 -0.00095243 -0.00050241 0.00060956 7.4432e+05 2024-05-09 03:21:08,583 INFO [main.py:798]
{rank 0/64} MD step = 460400 step time: 00:00:00.160350 Performance: 66.834 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 03:21:14,599 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 147.98 -2336.8 16219 -18556 -18556 -0.00049527 -0.00034288 7.6195e-05 7.4447e+05 2024-05-09 03:21:30,309 INFO [main.py:798]
{rank 0/64} MD step = 460500 step time: 00:00:00.148971 Performance: 66.836 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 03:21:37,090 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 151.9 -1761 16648 -18409 -18409 -0.00053336 -0.00060003 0.00060956 7.4464e+05 2024-05-09 03:21:52,770 INFO [main.py:798]
{rank 0/64} MD step = 460600 step time: 00:00:00.153919 Performance: 66.838 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 03:21:58,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460600 92120 150.34 -2111.6 16477 -18589 -18589 -0.00038097 -0.00068575 0.00072385 7.4478e+05 2024-05-09 03:22:14,437 INFO [main.py:798]
{rank 0/64} MD step = 460700 step time: 00:00:00.159271 Performance: 66.840 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 03:22:20,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460700 92140 148.95 -1988.7 16326 -18314 -18314 -0.00058099 -0.00087624 0.00085719 7.4497e+05 2024-05-09 03:22:36,255 INFO [main.py:798]
{rank 0/64} MD step = 460800 step time: 00:00:00.194001 Performance: 66.842 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 03:22:42,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460800 92160 148.1 -2208.8 16231 -18440 -18440 -0.00038097 -0.00038097 0.00057146 7.4513e+05 2024-05-09 03:22:57,356 INFO [main.py:798]
{rank 0/64} MD step = 460900 step time: 00:00:00.147204 Performance: 66.845 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 03:23:03,943 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 149.11 -1999.5 16343 -18342 -18342 -0.00091434 -0.00068575 0.00051908 7.453e+05 2024-05-09 03:23:20,385 INFO [main.py:798]
{rank 0/64} MD step = 461000 step time: 00:00:00.151972 Performance: 66.847 ns/day 0.359 hours/ns 3.868 steps/s 2024-05-09 03:23:26,363 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 149.05 -1906.1 16336 -18242 -18242 -0.00068575 -0.00087624 0.00072385 7.4547e+05 2024-05-09 03:23:42,383 INFO [main.py:798]
{rank 0/64} MD step = 461100 step time: 00:00:00.159829 Performance: 66.849 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:23:50,408 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 150.45 -1949.7 16489 -18439 -18439 -0.00091434 -0.00041907 0.00034288 7.4567e+05 2024-05-09 03:24:06,029 INFO [main.py:798]
{rank 0/64} MD step = 461200 step time: 00:00:00.147822 Performance: 66.850 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:24:12,427 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 152.4 -1687.5 16703 -18391 -18391 -0.00049527 -0.00053336 0.00076195 7.4579e+05 2024-05-09 03:24:28,592 INFO [main.py:798]
{rank 0/64} MD step = 461300 step time: 00:00:00.146575 Performance: 66.852 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:24:34,884 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 149.21 -2218.2 16354 -18572 -18572 -0.00099053 -0.00045717 0.00097148 7.4599e+05 2024-05-09 03:24:51,079 INFO [main.py:798]
{rank 0/64} MD step = 461400 step time: 00:00:00.153247 Performance: 66.854 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:24:57,635 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 150.48 -1979.2 16493 -18472 -18472 -0.00099053 -0.00057146 0.00076195 7.4615e+05 2024-05-09 03:25:13,827 INFO [main.py:798]
{rank 0/64} MD step = 461500 step time: 00:00:00.154744 Performance: 66.856 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:25:20,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461500 92300 149.77 -2004.9 16415 -18420 -18420 -0.00064766 -0.00040955 0.00072385 7.4629e+05 2024-05-09 03:25:36,564 INFO [main.py:798]
{rank 0/64} MD step = 461600 step time: 00:00:00.152518 Performance: 66.857 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:25:42,746 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 151.54 -1956 16609 -18565 -18565 -0.00053336 -0.00053336 0.00026668 7.4645e+05 2024-05-09 03:25:58,503 INFO [main.py:798]
{rank 0/64} MD step = 461700 step time: 00:00:00.147666 Performance: 66.859 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:26:04,828 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 149.36 -2350.2 16370 -18720 -18720 -0.00091434 -0.00068575 0.00069528 7.466e+05 2024-05-09 03:26:20,809 INFO [main.py:798]
{rank 0/64} MD step = 461800 step time: 00:00:00.139876 Performance: 66.861 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:26:26,472 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 151.54 -1679.7 16609 -18289 -18289 -0.00044764 -0.00068575 0.00060956 7.4678e+05 2024-05-09 03:26:42,388 INFO [main.py:798]
{rank 0/64} MD step = 461900 step time: 00:00:00.146744 Performance: 66.864 ns/day 0.359 hours/ns 3.869 steps/s 2024-05-09 03:26:48,989 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 149.94 -1759.1 16434 -18193 -18193 -0.00068575 -0.000781 0.0007429 7.4692e+05 2024-05-09 03:27:04,903 INFO [main.py:798]
{rank 0/64} MD step = 462000 step time: 00:00:00.158973 Performance: 66.866 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:27:11,026 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 148.37 -2166.3 16262 -18428 -18428 -0.00099053 -0.00019049 0.00091434 7.4707e+05 2024-05-09 03:27:26,912 INFO [main.py:798]
{rank 0/64} MD step = 462100 step time: 00:00:00.163592 Performance: 66.868 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:27:38,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462100 92420 148.87 -2066.7 16316 -18383 -18383 -0.00064766 -0.00091434 0.00043812 7.4727e+05 2024-05-09 03:27:55,850 INFO [main.py:798]
{rank 0/64} MD step = 462200 step time: 00:00:00.162866 Performance: 66.866 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:28:03,488 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 151.61 -1773.9 16616 -18390 -18390 -0.00060956 -0.00067623 0.00060956 7.4743e+05 2024-05-09 03:28:19,755 INFO [main.py:798]
{rank 0/64} MD step = 462300 step time: 00:00:00.170341 Performance: 66.867 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:28:26,283 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 149.74 -2030.1 16412 -18442 -18442 -0.00064766 -0.00090481 0.00076195 7.4758e+05 2024-05-09 03:28:42,061 INFO [main.py:798]
{rank 0/64} MD step = 462400 step time: 00:00:00.164784 Performance: 66.869 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:28:48,642 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 149.92 -1973 16431 -18404 -18404 -0.00055241 -0.00057146 0.00034288 7.4775e+05 2024-05-09 03:29:04,513 INFO [main.py:798]
{rank 0/64} MD step = 462500 step time: 00:00:00.152032 Performance: 66.871 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:29:10,953 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 150.37 -2201.8 16481 -18682 -18682 -0.00041907 -0.00049527 0.00030478 7.4789e+05 2024-05-09 03:29:27,501 INFO [main.py:798]
{rank 0/64} MD step = 462600 step time: 00:00:00.159920 Performance: 66.873 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:29:31,692 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 148.11 -2148.4 16233 -18381 -18381 -0.00062861 -0.00060956 0.00068575 7.4811e+05 2024-05-09 03:29:49,050 INFO [main.py:798]
{rank 0/64} MD step = 462700 step time: 00:00:00.154159 Performance: 66.875 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:29:55,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462700 92540 149.44 -2233.8 16379 -18613 -18613 -0.00051431 -0.00083814 0.00022858 7.4823e+05 2024-05-09 03:30:11,356 INFO [main.py:798]
{rank 0/64} MD step = 462800 step time: 00:00:00.151462 Performance: 66.877 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:30:18,049 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 149.85 -2085.8 16424 -18510 -18510 -0.00036193 -0.00062861 0.00049527 7.4844e+05 2024-05-09 03:30:33,994 INFO [main.py:798]
{rank 0/64} MD step = 462900 step time: 00:00:00.156007 Performance: 66.879 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:30:40,156 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 148.97 -2061.8 16328 -18389 -18389 -0.00077147 -0.00045717 0.00036193 7.4863e+05 2024-05-09 03:30:55,516 INFO [main.py:798]
{rank 0/64} MD step = 463000 step time: 00:00:00.155815 Performance: 66.881 ns/day 0.359 hours/ns 3.870 steps/s 2024-05-09 03:31:01,014 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 152.59 -1670.6 16724 -18395 -18395 -0.00053336 -0.00032383 0.00072385 7.4875e+05 2024-05-09 03:31:17,188 INFO [main.py:798]
{rank 0/64} MD step = 463100 step time: 00:00:00.149696 Performance: 66.884 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:31:23,967 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 148.74 -1995.9 16302 -18298 -18298 -0.00089529 -0.00064766 0.00076195 7.4892e+05 2024-05-09 03:31:40,284 INFO [main.py:798]
{rank 0/64} MD step = 463200 step time: 00:00:00.161593 Performance: 66.885 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:31:50,796 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 150.56 -1823.6 16502 -18325 -18325 -0.00083814 -0.00087624 0.00069528 7.4906e+05 2024-05-09 03:32:07,104 INFO [main.py:798]
{rank 0/64} MD step = 463300 step time: 00:00:00.154101 Performance: 66.885 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:32:12,139 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 147.96 -2227.9 16216 -18444 -18444 -0.00072385 -0.00087624 0.00060956 7.4925e+05 2024-05-09 03:32:28,365 INFO [main.py:798]
{rank 0/64} MD step = 463400 step time: 00:00:00.165657 Performance: 66.887 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:32:35,016 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 148.53 -2234.5 16279 -18513 -18513 -0.00045717 -0.00064289 0.00041907 7.4938e+05 2024-05-09 03:32:53,976 INFO [main.py:798]
{rank 0/64} MD step = 463500 step time: 00:00:00.165008 Performance: 66.887 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:32:59,821 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 151.38 -2074.4 16592 -18666 -18666 -0.00041907 -0.00060956 0.00089529 7.4958e+05 2024-05-09 03:33:15,841 INFO [main.py:798]
{rank 0/64} MD step = 463600 step time: 00:00:00.158944 Performance: 66.889 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:33:23,265 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 148.05 -2007.2 16226 -18233 -18233 -0.00055241 -0.00068575 0.00060956 7.4976e+05 2024-05-09 03:33:39,462 INFO [main.py:798]
{rank 0/64} MD step = 463700 step time: 00:00:00.164867 Performance: 66.891 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:33:45,686 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 149.52 -1909 16388 -18297 -18297 -0.00032383 -0.00045717 0.00057146 7.4992e+05 2024-05-09 03:34:01,780 INFO [main.py:798]
{rank 0/64} MD step = 463800 step time: 00:00:00.166936 Performance: 66.893 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:34:07,715 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 149.05 -2008.9 16336 -18345 -18345 -0.00072385 -0.00095243 0.00040002 7.5008e+05 2024-05-09 03:34:23,489 INFO [main.py:798]
{rank 0/64} MD step = 463900 step time: 00:00:00.168611 Performance: 66.895 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:34:30,283 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 148.39 -2201.4 16264 -18465 -18465 -0.00083814 -0.00053336 0.00030478 7.5021e+05 2024-05-09 03:34:46,405 INFO [main.py:798]
{rank 0/64} MD step = 464000 step time: 00:00:00.163319 Performance: 66.897 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:34:53,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464000 92800 151.49 -2069.5 16604 -18673 -18673 -0.00076195 -0.00085719 0.00044764 7.5032e+05 2024-05-09 03:35:10,391 INFO [main.py:798]
{rank 0/64} MD step = 464100 step time: 00:00:00.174033 Performance: 66.898 ns/day 0.359 hours/ns 3.871 steps/s 2024-05-09 03:35:16,716 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 151.51 -1826.5 16606 -18432 -18432 -0.00049527 -0.00097148 0.00085719 7.5053e+05 2024-05-09 03:35:32,397 INFO [main.py:798]
{rank 0/64} MD step = 464200 step time: 00:00:00.169003 Performance: 66.900 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:35:38,809 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 148.47 -1790.2 16272 -18062 -18062 -0.00034288 -0.00065718 0.00030478 7.5076e+05 2024-05-09 03:35:54,367 INFO [main.py:798]
{rank 0/64} MD step = 464300 step time: 00:00:00.163222 Performance: 66.902 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:36:00,847 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 149.95 -2033.4 16435 -18468 -18468 -0.00077623 -0.00053336 0.00083814 7.5088e+05 2024-05-09 03:36:16,725 INFO [main.py:798]
{rank 0/64} MD step = 464400 step time: 00:00:00.152535 Performance: 66.904 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:36:23,163 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 149.65 -2097.8 16402 -18499 -18499 -0.00049527 -0.00059051 0.00062861 7.5102e+05 2024-05-09 03:36:39,097 INFO [main.py:798]
{rank 0/64} MD step = 464500 step time: 00:00:00.151535 Performance: 66.906 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:36:45,481 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 148.74 -1990.8 16302 -18293 -18293 -0.0007429 -0.00049527 0.00065718 7.5122e+05 2024-05-09 03:37:01,053 INFO [main.py:798]
{rank 0/64} MD step = 464600 step time: 00:00:00.158163 Performance: 66.908 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:37:06,593 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 149.36 -2107.7 16370 -18478 -18478 -0.00072385 -0.00083814 0.000781 7.5137e+05 2024-05-09 03:37:22,394 INFO [main.py:798]
{rank 0/64} MD step = 464700 step time: 00:00:00.167328 Performance: 66.910 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:37:26,339 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 150.51 -2242.7 16496 -18738 -18738 -0.00038097 -0.00067623 0.00071433 7.5155e+05 2024-05-09 03:37:44,191 INFO [main.py:798]
{rank 0/64} MD step = 464800 step time: 00:00:00.164360 Performance: 66.913 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:37:50,571 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 148.76 -2091.8 16305 -18396 -18396 -0.00072385 -0.00049527 0.00076195 7.5173e+05 2024-05-09 03:38:06,552 INFO [main.py:798]
{rank 0/64} MD step = 464900 step time: 00:00:00.167469 Performance: 66.915 ns/day 0.359 hours/ns 3.872 steps/s 2024-05-09 03:38:11,679 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 150.3 -1903.3 16473 -18376 -18376 -0.00048574 -0.00091434 0.00064766 7.5192e+05 2024-05-09 03:38:27,335 INFO [main.py:798]
{rank 0/64} MD step = 465000 step time: 00:00:00.159870 Performance: 66.917 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:38:33,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465000 93000 150.15 -2146.4 16457 -18603 -18603 -0.00030478 -0.00044764 0.00053336 7.5205e+05 2024-05-09 03:38:48,897 INFO [main.py:798]
{rank 0/64} MD step = 465100 step time: 00:00:00.155349 Performance: 66.920 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:39:03,722 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 150.67 -1875.1 16514 -18389 -18389 -0.00082862 -0.00072385 0.00064766 7.5227e+05 2024-05-09 03:39:18,920 INFO [main.py:798]
{rank 0/64} MD step = 465200 step time: 00:00:00.160487 Performance: 66.917 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:39:26,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465200 93040 151.49 -1868.2 16603 -18471 -18471 -0.00080005 -0.00057146 0.0007048 7.5237e+05 2024-05-09 03:39:41,889 INFO [main.py:798]
{rank 0/64} MD step = 465300 step time: 00:00:00.159227 Performance: 66.919 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:39:47,876 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 150.23 -2073.9 16465 -18539 -18539 -0.00068099 -0.00033811 0.00085719 7.5253e+05 2024-05-09 03:40:03,660 INFO [main.py:798]
{rank 0/64} MD step = 465400 step time: 00:00:00.162185 Performance: 66.921 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:40:10,878 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 147.33 -2514.4 16148 -18662 -18662 -0.00083814 -0.00091434 0.00072385 7.5267e+05 2024-05-09 03:40:26,426 INFO [main.py:798]
{rank 0/64} MD step = 465500 step time: 00:00:00.165002 Performance: 66.923 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:40:33,378 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 151.53 -1929.4 16608 -18538 -18538 -0.00026668 -0.00085719 0.00080957 7.5284e+05 2024-05-09 03:40:48,464 INFO [main.py:798]
{rank 0/64} MD step = 465600 step time: 00:00:00.171150 Performance: 66.925 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:40:54,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465600 93120 149.86 -2086.2 16425 -18511 -18511 -0.00088576 -0.0006667 0.00083814 7.5305e+05 2024-05-09 03:41:09,593 INFO [main.py:798]
{rank 0/64} MD step = 465700 step time: 00:00:00.160469 Performance: 66.928 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:41:14,736 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 149.2 -2060.6 16352 -18413 -18413 -0.0003143 -0.00087624 0.00063813 7.5324e+05 2024-05-09 03:41:30,139 INFO [main.py:798]
{rank 0/64} MD step = 465800 step time: 00:00:00.164549 Performance: 66.931 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:41:35,903 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 151.01 -1971.9 16550 -18522 -18522 -0.00093339 -0.00047622 0.00068575 7.5341e+05 2024-05-09 03:41:51,369 INFO [main.py:798]
{rank 0/64} MD step = 465900 step time: 00:00:00.161169 Performance: 66.933 ns/day 0.359 hours/ns 3.873 steps/s 2024-05-09 03:41:56,734 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 150.58 -1842 16503 -18345 -18345 -0.000781 -0.00041907 0.0007048 7.536e+05 2024-05-09 03:42:14,304 INFO [main.py:798]
{rank 0/64} MD step = 466000 step time: 00:00:00.158730 Performance: 66.935 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:42:20,568 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 149.14 -1977.9 16346 -18324 -18324 -0.00089529 -0.00087624 0.00049527 7.5379e+05 2024-05-09 03:42:36,070 INFO [main.py:798]
{rank 0/64} MD step = 466100 step time: 00:00:00.156990 Performance: 66.937 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:42:41,678 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 150.49 -1852.5 16494 -18346 -18346 -0.0010286 -0.00068575 0.00076195 7.5391e+05 2024-05-09 03:42:57,545 INFO [main.py:798]
{rank 0/64} MD step = 466200 step time: 00:00:00.156214 Performance: 66.939 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:43:04,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466200 93240 148.5 -2251.4 16276 -18527 -18527 -0.00038097 -0.00055241 0.0006667 7.5407e+05 2024-05-09 03:43:19,799 INFO [main.py:798]
{rank 0/64} MD step = 466300 step time: 00:00:00.146385 Performance: 66.941 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:43:26,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466300 93260 151.55 -1951.4 16610 -18562 -18562 -0.00041907 -0.00034288 0.00037145 7.5424e+05 2024-05-09 03:43:42,185 INFO [main.py:798]
{rank 0/64} MD step = 466400 step time: 00:00:00.152061 Performance: 66.943 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:43:49,906 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 151.2 -2055.5 16572 -18627 -18627 -0.00087624 -0.00028573 0.0006667 7.544e+05 2024-05-09 03:44:06,980 INFO [main.py:798]
{rank 0/64} MD step = 466500 step time: 00:00:00.146705 Performance: 66.944 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:44:14,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466500 93300 150.43 -1962.7 16487 -18450 -18450 -0.00022858 -0.00030478 0.00017144 7.5455e+05 2024-05-09 03:44:30,840 INFO [main.py:798]
{rank 0/64} MD step = 466600 step time: 00:00:00.160342 Performance: 66.945 ns/day 0.359 hours/ns 3.874 steps/s 2024-05-09 03:44:36,461 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 151.68 -2027.5 16625 -18652 -18652 -0.00068575 -0.00043812 0.000781 7.5472e+05 2024-05-09 03:44:54,354 INFO [main.py:798]
{rank 0/64} MD step = 466700 step time: 00:00:00.154541 Performance: 66.946 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-09 03:45:04,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466700 93340 147.5 -2154.7 16166 -18321 -18321 -0.00030478 -0.00059051 0.00075242 7.5492e+05 2024-05-09 03:45:19,095 INFO [main.py:798]
{rank 0/64} MD step = 466800 step time: 00:00:00.150597 Performance: 66.947 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-09 03:45:24,364 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 151.64 -2022.1 16620 -18642 -18642 -0.00072385 -0.00045717 0.00058099 7.5504e+05 2024-05-09 03:45:41,272 INFO [main.py:798]
{rank 0/64} MD step = 466900 step time: 00:00:00.155654 Performance: 66.949 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-09 03:45:46,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466900 93380 149.47 -2092.1 16382 -18474 -18474 -0.00045717 -0.00034288 0.00060956 7.5524e+05 2024-05-09 03:46:02,981 INFO [main.py:798]
{rank 0/64} MD step = 467000 step time: 00:00:00.163623 Performance: 66.951 ns/day 0.358 hours/ns 3.874 steps/s 2024-05-09 03:46:09,952 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 150.82 -2058.9 16530 -18589 -18589 -0.0007048 -0.00081909 0.00083814 7.5538e+05 2024-05-09 03:46:26,083 INFO [main.py:798]
{rank 0/64} MD step = 467100 step time: 00:00:00.163411 Performance: 66.953 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:46:32,827 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 148.22 -2255 16245 -18500 -18500 -0.00087624 -0.00083814 0.00045717 7.5553e+05 2024-05-09 03:46:48,792 INFO [main.py:798]
{rank 0/64} MD step = 467200 step time: 00:00:00.166665 Performance: 66.954 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:46:54,990 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 147.41 -2147.2 16157 -18304 -18304 -0.00038097 -0.0007048 0.00049527 7.5569e+05 2024-05-09 03:47:10,713 INFO [main.py:798]
{rank 0/64} MD step = 467300 step time: 00:00:00.170908 Performance: 66.957 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:47:18,758 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 149.12 -2092.5 16343 -18436 -18436 -0.00053336 -0.00093339 0.00083814 7.5583e+05 2024-05-09 03:47:33,521 INFO [main.py:798]
{rank 0/64} MD step = 467400 step time: 00:00:00.163113 Performance: 66.958 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:47:41,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467400 93480 149.73 -2042.4 16411 -18453 -18453 -0.00081909 -0.00091434 0.00045717 7.5604e+05 2024-05-09 03:47:57,741 INFO [main.py:798]
{rank 0/64} MD step = 467500 step time: 00:00:00.164877 Performance: 66.959 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:48:05,154 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 148.96 -2096.8 16327 -18423 -18423 -0.00069528 -0.00051431 0.00053336 7.5619e+05 2024-05-09 03:48:19,919 INFO [main.py:798]
{rank 0/64} MD step = 467600 step time: 00:00:00.158204 Performance: 66.961 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:48:26,773 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 150.7 -1827.4 16517 -18345 -18345 -0.00064766 -0.0003905 0.00038097 7.5633e+05 2024-05-09 03:48:42,548 INFO [main.py:798]
{rank 0/64} MD step = 467700 step time: 00:00:00.169485 Performance: 66.963 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:48:48,230 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 150.3 -1813.4 16473 -18286 -18286 -0.0007048 -0.00076195 0.00017144 7.5652e+05 2024-05-09 03:49:05,015 INFO [main.py:798]
{rank 0/64} MD step = 467800 step time: 00:00:00.161566 Performance: 66.965 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:49:12,264 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 151 -1903 16550 -18453 -18453 -0.00047622 -0.00081909 0.00026668 7.567e+05 2024-05-09 03:49:26,623 INFO [main.py:798]
{rank 0/64} MD step = 467900 step time: 00:00:00.137012 Performance: 66.967 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:49:39,734 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 147.27 -2388.4 16141 -18529 -18529 -0.0007429 -0.00085719 0.00055241 7.5683e+05 2024-05-09 03:49:55,364 INFO [main.py:798]
{rank 0/64} MD step = 468000 step time: 00:00:00.139964 Performance: 66.965 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:50:02,431 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 151.77 -1861 16634 -18495 -18495 -0.00076195 -0.00045717 0.00041907 7.57e+05 2024-05-09 03:50:18,435 INFO [main.py:798]
{rank 0/64} MD step = 468100 step time: 00:00:00.154595 Performance: 66.967 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:50:23,437 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 147.8 -2319.1 16199 -18518 -18518 -0.000781 -0.00049527 0.00067623 7.5717e+05 2024-05-09 03:50:41,252 INFO [main.py:798]
{rank 0/64} MD step = 468200 step time: 00:00:00.153016 Performance: 66.969 ns/day 0.358 hours/ns 3.875 steps/s 2024-05-09 03:50:48,127 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 147.82 -2095.8 16202 -18298 -18298 -0.0007429 -0.00097148 0.00047622 7.573e+05 2024-05-09 03:51:04,142 INFO [main.py:798]
{rank 0/64} MD step = 468300 step time: 00:00:00.147996 Performance: 66.970 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:51:08,686 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 150.34 -1963.3 16477 -18441 -18441 -0.00038097 -0.00038097 0.00055241 7.5747e+05 2024-05-09 03:51:26,343 INFO [main.py:798]
{rank 0/64} MD step = 468400 step time: 00:00:00.152957 Performance: 66.972 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:51:33,515 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 152.65 -1621.1 16731 -18352 -18352 -0.00091434 -0.00092386 0.00041907 7.5763e+05 2024-05-09 03:51:49,747 INFO [main.py:798]
{rank 0/64} MD step = 468500 step time: 00:00:00.157480 Performance: 66.974 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:51:55,453 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 149.31 -2082.5 16365 -18447 -18447 -0.00053336 -0.00053336 0.00068575 7.578e+05 2024-05-09 03:52:11,606 INFO [main.py:798]
{rank 0/64} MD step = 468600 step time: 00:00:00.159013 Performance: 66.976 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:52:17,822 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 151.38 -1720.4 16591 -18311 -18311 -0.00060956 -0.0007048 0.00053336 7.5798e+05 2024-05-09 03:52:33,376 INFO [main.py:798]
{rank 0/64} MD step = 468700 step time: 00:00:00.154785 Performance: 66.978 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:52:39,871 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 150.55 -1807.4 16501 -18308 -18308 -0.00057622 -0.00099053 0.00057146 7.5808e+05 2024-05-09 03:52:55,553 INFO [main.py:798]
{rank 0/64} MD step = 468800 step time: 00:00:00.154650 Performance: 66.980 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:53:01,486 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 149.25 -2105.3 16358 -18463 -18463 -0.00028573 -0.00037145 0.00054289 7.582e+05 2024-05-09 03:53:17,184 INFO [main.py:798]
{rank 0/64} MD step = 468900 step time: 00:00:00.161124 Performance: 66.982 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:53:23,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468900 93780 149.93 -2146.6 16432 -18579 -18579 -0.00045717 -0.00062861 0.00030478 7.5829e+05 2024-05-09 03:53:40,199 INFO [main.py:798]
{rank 0/64} MD step = 469000 step time: 00:00:00.161601 Performance: 66.984 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:53:47,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469000 93800 151.64 -1769.2 16620 -18389 -18389 -0.00032383 -0.00084767 0.00072385 7.5848e+05 2024-05-09 03:54:02,300 INFO [main.py:798]
{rank 0/64} MD step = 469100 step time: 00:00:00.165638 Performance: 66.986 ns/day 0.358 hours/ns 3.876 steps/s 2024-05-09 03:54:09,956 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 149.19 -2133.4 16351 -18484 -18484 -0.00091434 -0.00064766 0.00072385 7.5864e+05 2024-05-09 03:54:25,993 INFO [main.py:798]
{rank 0/64} MD step = 469200 step time: 00:00:00.164026 Performance: 66.987 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:54:32,970 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 147.24 -2368.6 16138 -18506 -18506 -0.00057146 -0.0003524 0.00076195 7.5878e+05 2024-05-09 03:54:48,483 INFO [main.py:798]
{rank 0/64} MD step = 469300 step time: 00:00:00.168805 Performance: 66.989 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:54:54,605 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 150.97 -1901.2 16546 -18447 -18447 -0.00064766 -0.0003905 0.00091434 7.5894e+05 2024-05-09 03:55:09,769 INFO [main.py:798]
{rank 0/64} MD step = 469400 step time: 00:00:00.155539 Performance: 66.991 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:55:16,245 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 149.8 -2108.4 16418 -18527 -18527 -0.00068575 -0.00083814 0.00068575 7.5904e+05 2024-05-09 03:55:31,676 INFO [main.py:798]
{rank 0/64} MD step = 469500 step time: 00:00:00.138145 Performance: 66.993 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:55:37,972 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 150.59 -1964.9 16505 -18470 -18470 -0.00060956 -0.00083814 0.00083814 7.5918e+05 2024-05-09 03:55:53,690 INFO [main.py:798]
{rank 0/64} MD step = 469600 step time: 00:00:00.146676 Performance: 66.996 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:56:00,691 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 148.76 -2145.3 16304 -18450 -18450 -0.00051431 -0.0003143 0.00045717 7.5935e+05 2024-05-09 03:56:16,865 INFO [main.py:798]
{rank 0/64} MD step = 469700 step time: 00:00:00.142525 Performance: 66.997 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:56:25,131 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 148.92 -1926.6 16321 -18248 -18248 -0.00038097 -0.00048574 0.00037145 7.5958e+05 2024-05-09 03:56:40,591 INFO [main.py:798]
{rank 0/64} MD step = 469800 step time: 00:00:00.144179 Performance: 66.998 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:56:46,451 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 148.47 -2323.9 16272 -18596 -18596 -0.00087624 -0.00026668 0.00083814 7.5974e+05 2024-05-09 03:57:02,395 INFO [main.py:798]
{rank 0/64} MD step = 469900 step time: 00:00:00.147364 Performance: 67.000 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:57:06,852 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 149.97 -2012.8 16437 -18450 -18450 -0.00072385 -0.00095243 0.00026668 7.5988e+05 2024-05-09 03:57:24,393 INFO [main.py:798]
{rank 0/64} MD step = 470000 step time: 00:00:00.142719 Performance: 67.002 ns/day 0.358 hours/ns 3.877 steps/s 2024-05-09 03:57:31,179 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 148.84 -1943.9 16313 -18257 -18257 -0.00093339 -0.00063813 0.00059051 7.6007e+05 2024-05-09 03:57:47,418 INFO [main.py:798]
{rank 0/64} MD step = 470100 step time: 00:00:00.151999 Performance: 67.004 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:57:53,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 94020 148.54 -2074.7 16280 -18355 -18355 -0.00038097 -0.0010096 0.0006667 7.6022e+05 2024-05-09 03:58:09,154 INFO [main.py:798]
{rank 0/64} MD step = 470200 step time: 00:00:00.157244 Performance: 67.006 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:58:14,204 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 150.37 -1788 16480 -18268 -18268 -0.00068575 -0.00057146 0.00038097 7.6039e+05 2024-05-09 03:58:29,844 INFO [main.py:798]
{rank 0/64} MD step = 470300 step time: 00:00:00.160140 Performance: 67.009 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:58:35,904 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 147.67 -2205.6 16185 -18391 -18391 -0.00068575 -0.0010096 0.00020954 7.6054e+05 2024-05-09 03:58:51,640 INFO [main.py:798]
{rank 0/64} MD step = 470400 step time: 00:00:00.159922 Performance: 67.011 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:58:57,970 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 150.46 -1857.1 16491 -18348 -18348 -0.00076195 -0.0007048 0.00045717 7.6074e+05 2024-05-09 03:59:14,220 INFO [main.py:798]
{rank 0/64} MD step = 470500 step time: 00:00:00.160135 Performance: 67.013 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:59:20,839 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 147.9 -2147.3 16210 -18357 -18357 -0.00081909 -0.00087624 0.00073337 7.6088e+05 2024-05-09 03:59:36,473 INFO [main.py:798]
{rank 0/64} MD step = 470600 step time: 00:00:00.163847 Performance: 67.015 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 03:59:43,786 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 149.07 -1914.2 16338 -18252 -18252 -0.00055241 -0.00052384 0.00053336 7.6103e+05 2024-05-09 03:59:59,709 INFO [main.py:798]
{rank 0/64} MD step = 470700 step time: 00:00:00.160998 Performance: 67.016 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 04:00:06,577 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 150.13 -2156.8 16455 -18612 -18612 -0.00045717 -0.00085719 0.00051431 7.6118e+05 2024-05-09 04:00:22,091 INFO [main.py:798]
{rank 0/64} MD step = 470800 step time: 00:00:00.161708 Performance: 67.018 ns/day 0.358 hours/ns 3.878 steps/s 2024-05-09 04:00:27,733 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 151.12 -1849.7 16563 -18413 -18413 -0.00060956 -0.00073337 0.00064766 7.6136e+05 2024-05-09 04:00:43,604 INFO [main.py:798]
{rank 0/64} MD step = 470900 step time: 00:00:00.167922 Performance: 67.021 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:00:50,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470900 94180 146.6 -2406 16068 -18474 -18474 -0.00095243 -0.00019049 0.00053336 7.6152e+05 2024-05-09 04:01:05,511 INFO [main.py:798]
{rank 0/64} MD step = 471000 step time: 00:00:00.163711 Performance: 67.023 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:01:10,119 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 148.73 -2110.5 16301 -18412 -18412 -0.00053336 -0.00053336 0.00041907 7.617e+05 2024-05-09 04:01:27,564 INFO [main.py:798]
{rank 0/64} MD step = 471100 step time: 00:00:00.168146 Performance: 67.025 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:01:33,491 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 149.63 -2093.7 16399 -18493 -18493 -0.00076195 -0.00076195 0.00071909 7.6186e+05 2024-05-09 04:01:49,432 INFO [main.py:798]
{rank 0/64} MD step = 471200 step time: 00:00:00.172476 Performance: 67.027 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:01:55,086 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 150.04 -1912 16444 -18356 -18356 -0.00053336 -0.00055241 -0.00015239 7.6202e+05 2024-05-09 04:02:12,557 INFO [main.py:798]
{rank 0/64} MD step = 471300 step time: 00:00:00.175069 Performance: 67.028 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:02:20,129 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 147.75 -2124 16194 -18318 -18318 -0.00049527 -0.00082862 -0.00017144 7.6216e+05 2024-05-09 04:02:35,939 INFO [main.py:798]
{rank 0/64} MD step = 471400 step time: 00:00:00.161484 Performance: 67.030 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:02:42,782 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 151.76 -1708.4 16633 -18341 -18341 -0.00076195 -0.00051431 0.00022858 7.6235e+05 2024-05-09 04:02:58,512 INFO [main.py:798]
{rank 0/64} MD step = 471500 step time: 00:00:00.161562 Performance: 67.032 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:03:04,680 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 149.45 -1958.1 16380 -18338 -18338 -0.00051431 -0.00089529 0.00062861 7.6252e+05 2024-05-09 04:03:20,201 INFO [main.py:798]
{rank 0/64} MD step = 471600 step time: 00:00:00.159086 Performance: 67.034 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:03:27,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471600 94320 148.63 -1883.4 16290 -18173 -18173 -0.00041907 -0.00064766 0.00051431 7.6268e+05 2024-05-09 04:03:43,159 INFO [main.py:798]
{rank 0/64} MD step = 471700 step time: 00:00:00.162934 Performance: 67.035 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:03:51,539 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 154.29 -1274.7 16910 -18185 -18185 -0.00049527 -0.00067623 0.00059051 7.6285e+05 2024-05-09 04:04:06,530 INFO [main.py:798]
{rank 0/64} MD step = 471800 step time: 00:00:00.155195 Performance: 67.037 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:04:13,319 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 148.53 -1941.1 16279 -18220 -18220 -0.00053336 -0.00047622 0.00045717 7.6298e+05 2024-05-09 04:04:40,456 INFO [main.py:798]
{rank 0/64} MD step = 471900 step time: 00:00:00.163511 Performance: 67.032 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:04:46,088 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 152.43 -1844.2 16707 -18551 -18551 -0.00057146 -0.00068575 0.00045717 7.6317e+05 2024-05-09 04:05:02,788 INFO [main.py:798]
{rank 0/64} MD step = 472000 step time: 00:00:00.159350 Performance: 67.034 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:05:07,857 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 148.56 -2066.5 16282 -18349 -18349 -0.00028573 -0.00085719 0.00087624 7.6333e+05 2024-05-09 04:05:24,385 INFO [main.py:798]
{rank 0/64} MD step = 472100 step time: 00:00:00.156506 Performance: 67.036 ns/day 0.358 hours/ns 3.879 steps/s 2024-05-09 04:05:28,944 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 148.85 -2405.8 16314 -18720 -18720 -0.00051431 -0.00045717 0.00073337 7.6346e+05 2024-05-09 04:05:44,799 INFO [main.py:798]
{rank 0/64} MD step = 472200 step time: 00:00:00.159643 Performance: 67.039 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 04:05:50,156 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 149.62 -2295.6 16399 -18694 -18694 -0.00068575 -0.00030478 0.00076195 7.6366e+05 2024-05-09 04:06:05,962 INFO [main.py:798]
{rank 0/64} MD step = 472300 step time: 00:00:00.156001 Performance: 67.042 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 04:06:12,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472300 94460 147.74 -2198.9 16193 -18391 -18391 -0.00049527 -0.00083814 0.00062861 7.6385e+05 2024-05-09 04:06:28,075 INFO [main.py:798]
{rank 0/64} MD step = 472400 step time: 00:00:00.155169 Performance: 67.044 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 04:06:33,215 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 149.88 -1962.8 16427 -18389 -18389 -0.00083814 -0.00011905 0.00087624 7.6402e+05 2024-05-09 04:06:48,740 INFO [main.py:798]
{rank 0/64} MD step = 472500 step time: 00:00:00.161731 Performance: 67.047 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 04:06:54,800 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 148.14 -2133.1 16236 -18369 -18369 -0.0006667 -0.000781 0.00093339 7.6416e+05 2024-05-09 04:07:09,867 INFO [main.py:798]
{rank 0/64} MD step = 472600 step time: 00:00:00.162588 Performance: 67.049 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 04:07:15,534 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 150.18 -1792.7 16460 -18253 -18253 -0.00053336 -0.00041907 0.00091434 7.6431e+05 2024-05-09 04:07:31,680 INFO [main.py:798]
{rank 0/64} MD step = 472700 step time: 00:00:00.154882 Performance: 67.051 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 04:07:37,758 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 151.32 -1815.1 16585 -18400 -18400 -0.00059051 -0.00057146 0.00083814 7.6449e+05 2024-05-09 04:07:53,893 INFO [main.py:798]
{rank 0/64} MD step = 472800 step time: 00:00:00.165260 Performance: 67.053 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 04:07:58,851 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 151.22 -1671.2 16574 -18245 -18245 -0.00053336 -0.00085719 0.00055241 7.6464e+05 2024-05-09 04:08:14,952 INFO [main.py:798]
{rank 0/64} MD step = 472900 step time: 00:00:00.156950 Performance: 67.056 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:08:27,974 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 149.86 -2023.7 16425 -18449 -18449 -0.00068575 -0.00064766 0.00049527 7.6477e+05 2024-05-09 04:08:43,358 INFO [main.py:798]
{rank 0/64} MD step = 473000 step time: 00:00:00.168219 Performance: 67.055 ns/day 0.358 hours/ns 3.880 steps/s 2024-05-09 04:08:51,158 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 151.5 -1633.6 16605 -18239 -18239 -0.00045717 -0.00060956 0.00076195 7.6491e+05 2024-05-09 04:09:07,299 INFO [main.py:798]
{rank 0/64} MD step = 473100 step time: 00:00:00.162999 Performance: 67.056 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:09:13,677 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 149.69 -1924.3 16406 -18331 -18331 -0.00041907 -0.00036193 0.00087624 7.6507e+05 2024-05-09 04:09:29,376 INFO [main.py:798]
{rank 0/64} MD step = 473200 step time: 00:00:00.155998 Performance: 67.058 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:09:33,553 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 151.8 -1846.3 16638 -18484 -18484 -0.00081909 -0.00068575 0.00043812 7.6524e+05 2024-05-09 04:09:51,029 INFO [main.py:798]
{rank 0/64} MD step = 473300 step time: 00:00:00.168250 Performance: 67.060 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:09:55,922 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 148.69 -2299.9 16296 -18596 -18596 -0.00081909 -0.00026668 0.00081909 7.6535e+05 2024-05-09 04:10:11,596 INFO [main.py:798]
{rank 0/64} MD step = 473400 step time: 00:00:00.166335 Performance: 67.063 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:10:18,454 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 151.23 -1723.9 16575 -18299 -18299 -0.00091434 -0.00034288 0.00046193 7.6556e+05 2024-05-09 04:10:35,637 INFO [main.py:798]
{rank 0/64} MD step = 473500 step time: 00:00:00.163886 Performance: 67.064 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:10:41,054 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 150.56 -1946.7 16502 -18448 -18448 -0.00064766 -0.00057146 0.0007429 7.6568e+05 2024-05-09 04:10:57,272 INFO [main.py:798]
{rank 0/64} MD step = 473600 step time: 00:00:00.160115 Performance: 67.066 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:11:03,241 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 147.51 -2551.6 16167 -18719 -18719 -0.00061908 -0.00060956 0.00057146 7.6584e+05 2024-05-09 04:11:18,917 INFO [main.py:798]
{rank 0/64} MD step = 473700 step time: 00:00:00.155878 Performance: 67.068 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:11:23,652 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 150.59 -1681.7 16505 -18187 -18187 -0.00047622 -0.00083814 0.00045717 7.6607e+05 2024-05-09 04:11:40,982 INFO [main.py:798]
{rank 0/64} MD step = 473800 step time: 00:00:00.154023 Performance: 67.070 ns/day 0.358 hours/ns 3.881 steps/s 2024-05-09 04:11:46,509 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 150.74 -2031 16521 -18552 -18552 -0.00068575 -0.00095243 0.00060956 7.6618e+05 2024-05-09 04:12:02,285 INFO [main.py:798]
{rank 0/64} MD step = 473900 step time: 00:00:00.153741 Performance: 67.073 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:12:11,945 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 149.29 -1967.3 16362 -18329 -18329 -0.00089529 -0.00060956 0.00076195 7.6637e+05 2024-05-09 04:12:27,184 INFO [main.py:798]
{rank 0/64} MD step = 474000 step time: 00:00:00.144439 Performance: 67.073 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:12:33,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474000 94800 149.81 -1994.4 16420 -18414 -18414 -0.00060956 -0.00059051 0.00036193 7.6652e+05 2024-05-09 04:12:48,607 INFO [main.py:798]
{rank 0/64} MD step = 474100 step time: 00:00:00.153104 Performance: 67.076 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:12:53,833 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 151.21 -1834.7 16572 -18407 -18407 -0.00041907 -0.00049527 0.00038097 7.667e+05 2024-05-09 04:13:08,935 INFO [main.py:798]
{rank 0/64} MD step = 474200 step time: 00:00:00.154333 Performance: 67.078 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:13:15,200 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 151.11 -2003 16562 -18565 -18565 -0.00047622 -0.00060956 0.00045717 7.6675e+05 2024-05-09 04:13:30,985 INFO [main.py:798]
{rank 0/64} MD step = 474300 step time: 00:00:00.154092 Performance: 67.081 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:13:36,053 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 151.26 -1907.1 16579 -18486 -18486 -0.00044764 -0.00054289 0.00059051 7.6694e+05 2024-05-09 04:13:52,307 INFO [main.py:798]
{rank 0/64} MD step = 474400 step time: 00:00:00.139973 Performance: 67.083 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:13:59,642 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 151.15 -1752.8 16566 -18319 -18319 -0.00098101 -0.00080005 0.00076195 7.6711e+05 2024-05-09 04:14:15,838 INFO [main.py:798]
{rank 0/64} MD step = 474500 step time: 00:00:00.158570 Performance: 67.084 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:14:22,865 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 148.99 -1974.9 16330 -18305 -18305 -0.00026668 -0.00034288 0.00072385 7.6726e+05 2024-05-09 04:14:38,541 INFO [main.py:798]
{rank 0/64} MD step = 474600 step time: 00:00:00.151288 Performance: 67.086 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:14:44,673 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 148.94 -1975.7 16324 -18300 -18300 -0.00095243 -0.00059051 0.00041907 7.6742e+05 2024-05-09 04:15:00,908 INFO [main.py:798]
{rank 0/64} MD step = 474700 step time: 00:00:00.156248 Performance: 67.088 ns/day 0.358 hours/ns 3.882 steps/s 2024-05-09 04:15:04,923 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 149.73 -2256 16410 -18666 -18666 -0.00059051 -0.00063813 0.00043812 7.6755e+05 2024-05-09 04:15:22,491 INFO [main.py:798]
{rank 0/64} MD step = 474800 step time: 00:00:00.156972 Performance: 67.090 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:15:29,250 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 148.39 -1986.1 16264 -18250 -18250 -0.000781 -0.00036193 0.00055241 7.6772e+05 2024-05-09 04:15:45,295 INFO [main.py:798]
{rank 0/64} MD step = 474900 step time: 00:00:00.155819 Performance: 67.092 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:15:51,014 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 151.07 -1952.4 16558 -18510 -18510 -0.00062384 -0.00068575 0.00063813 7.6785e+05 2024-05-09 04:16:06,917 INFO [main.py:798]
{rank 0/64} MD step = 475000 step time: 00:00:00.154744 Performance: 67.094 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:16:13,774 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 148.82 -2048.9 16311 -18360 -18360 -0.00045717 -0.00026668 0.00089529 7.6801e+05 2024-05-09 04:16:29,739 INFO [main.py:798]
{rank 0/64} MD step = 475100 step time: 00:00:00.158792 Performance: 67.096 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:16:34,149 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 150.66 -1921.5 16512 -18434 -18434 -0.00077623 -0.00099053 0.00083814 7.6817e+05 2024-05-09 04:16:51,015 INFO [main.py:798]
{rank 0/64} MD step = 475200 step time: 00:00:00.152709 Performance: 67.098 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:17:00,561 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 150.49 -2084.4 16493 -18578 -18578 -0.00053336 -0.00076195 0.00045717 7.6835e+05 2024-05-09 04:17:17,064 INFO [main.py:798]
{rank 0/64} MD step = 475300 step time: 00:00:00.154453 Performance: 67.098 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:17:22,823 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 149.36 -2400 16370 -18770 -18770 -0.00047622 -0.00068575 0.00045717 7.6848e+05 2024-05-09 04:17:38,672 INFO [main.py:798]
{rank 0/64} MD step = 475400 step time: 00:00:00.155599 Performance: 67.100 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:17:45,386 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 151.72 -1821.1 16629 -18450 -18450 -0.00030478 -0.00072385 0.00071433 7.6868e+05 2024-05-09 04:18:01,487 INFO [main.py:798]
{rank 0/64} MD step = 475500 step time: 00:00:00.144254 Performance: 67.102 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:18:07,971 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 149.93 -2165.6 16433 -18598 -18598 -0.00034288 -0.00083814 0.00083814 7.6881e+05 2024-05-09 04:18:24,064 INFO [main.py:798]
{rank 0/64} MD step = 475600 step time: 00:00:00.147356 Performance: 67.103 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:18:29,124 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 149.15 -1913 16347 -18260 -18260 -0.00076195 -0.00059051 0.0007429 7.6895e+05 2024-05-09 04:18:45,215 INFO [main.py:798]
{rank 0/64} MD step = 475700 step time: 00:00:00.148342 Performance: 67.106 ns/day 0.358 hours/ns 3.883 steps/s 2024-05-09 04:18:50,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475700 95140 148.24 -1952.1 16247 -18199 -18199 -0.00055241 -0.00060956 0.00064766 7.691e+05 2024-05-09 04:19:07,047 INFO [main.py:798]
{rank 0/64} MD step = 475800 step time: 00:00:00.149034 Performance: 67.108 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:19:11,368 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 151.35 -1698.6 16588 -18287 -18287 -0.00091434 -0.00068575 0.00043812 7.6928e+05 2024-05-09 04:19:27,739 INFO [main.py:798]
{rank 0/64} MD step = 475900 step time: 00:00:00.168333 Performance: 67.111 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:19:33,577 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 149.84 -2009.6 16422 -18432 -18432 -0.00072385 -0.00057146 0.00093339 7.6943e+05 2024-05-09 04:19:49,124 INFO [main.py:798]
{rank 0/64} MD step = 476000 step time: 00:00:00.159044 Performance: 67.113 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:19:54,434 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 148.74 -2132.3 16302 -18434 -18434 -0.00046669 -0.00049527 0.00072385 7.6956e+05 2024-05-09 04:20:10,612 INFO [main.py:798]
{rank 0/64} MD step = 476100 step time: 00:00:00.160559 Performance: 67.116 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:20:15,474 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 149.47 -2045.7 16382 -18428 -18428 -0.00076195 -0.00063813 0.00030478 7.6975e+05 2024-05-09 04:20:31,692 INFO [main.py:798]
{rank 0/64} MD step = 476200 step time: 00:00:00.164796 Performance: 67.118 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:20:37,241 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 151.41 -1625 16595 -18220 -18220 -0.00068575 -0.00080005 0.00093339 7.6991e+05 2024-05-09 04:20:52,361 INFO [main.py:798]
{rank 0/64} MD step = 476300 step time: 00:00:00.152444 Performance: 67.121 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:21:07,525 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 148.09 -2196.5 16231 -18428 -18428 -0.00053336 -0.00076195 0.00072385 7.7005e+05 2024-05-09 04:21:22,904 INFO [main.py:798]
{rank 0/64} MD step = 476400 step time: 00:00:00.158558 Performance: 67.118 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:21:28,314 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 148.67 -2292.6 16295 -18587 -18587 -0.00045717 -0.00015239 0.00019049 7.7022e+05 2024-05-09 04:21:45,496 INFO [main.py:798]
{rank 0/64} MD step = 476500 step time: 00:00:00.160633 Performance: 67.120 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:21:52,123 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 148.49 -2371 16275 -18646 -18646 -0.0006667 -0.00038097 0.00043812 7.7042e+05 2024-05-09 04:22:08,133 INFO [main.py:798]
{rank 0/64} MD step = 476600 step time: 00:00:00.163003 Performance: 67.122 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:22:13,701 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 150.68 -1860 16515 -18375 -18375 -0.000781 -0.00096196 0.00055241 7.7062e+05 2024-05-09 04:22:29,576 INFO [main.py:798]
{rank 0/64} MD step = 476700 step time: 00:00:00.171314 Performance: 67.124 ns/day 0.358 hours/ns 3.884 steps/s 2024-05-09 04:22:34,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476700 95340 149.63 -1874.9 16400 -18275 -18275 -0.00034288 -0.00047622 0.00034288 7.7075e+05 2024-05-09 04:22:50,424 INFO [main.py:798]
{rank 0/64} MD step = 476800 step time: 00:00:00.170021 Performance: 67.127 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:22:56,868 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 148.88 -2094 16317 -18411 -18411 -0.00064766 -0.00051431 0.00018572 7.709e+05 2024-05-09 04:23:12,657 INFO [main.py:798]
{rank 0/64} MD step = 476900 step time: 00:00:00.164294 Performance: 67.129 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:23:18,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476900 95380 152.67 -1764.8 16733 -18498 -18498 -0.00049527 -0.00055241 0.00060956 7.7105e+05 2024-05-09 04:23:34,298 INFO [main.py:798]
{rank 0/64} MD step = 477000 step time: 00:00:00.157048 Performance: 67.131 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:23:39,178 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 147.76 -2299.3 16195 -18494 -18494 -0.00068575 -0.00068575 0.00060956 7.7121e+05 2024-05-09 04:23:57,032 INFO [main.py:798]
{rank 0/64} MD step = 477100 step time: 00:00:00.168566 Performance: 67.133 ns/day 0.358 hours/ns 3.885 steps/s 2024-05-09 04:24:02,774 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 149.73 -1853.9 16410 -18264 -18264 -0.00072385 -0.00057146 0.00057146 7.7139e+05 2024-05-09 04:24:18,506 INFO [main.py:798]
{rank 0/64} MD step = 477200 step time: 00:00:00.162502 Performance: 67.135 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:24:25,946 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 148.97 -2125.3 16328 -18453 -18453 -0.00051431 0.00010477 0.00049527 7.7157e+05 2024-05-09 04:24:41,726 INFO [main.py:798]
{rank 0/64} MD step = 477300 step time: 00:00:00.162138 Performance: 67.136 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:24:47,542 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 149.95 -1926.1 16435 -18361 -18361 -0.00044764 -0.00045717 0.00036193 7.7171e+05 2024-05-09 04:25:02,914 INFO [main.py:798]
{rank 0/64} MD step = 477400 step time: 00:00:00.153821 Performance: 67.139 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:25:07,723 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 148.95 -2129.1 16326 -18455 -18455 -0.00072385 -0.00051431 0.0006667 7.7188e+05 2024-05-09 04:25:25,659 INFO [main.py:798]
{rank 0/64} MD step = 477500 step time: 00:00:00.155230 Performance: 67.140 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:25:31,076 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 151.76 -1847.6 16633 -18480 -18480 -0.00030478 -0.00076195 0.00097148 7.7205e+05 2024-05-09 04:25:46,898 INFO [main.py:798]
{rank 0/64} MD step = 477600 step time: 00:00:00.159521 Performance: 67.143 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:25:51,867 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 150.76 -2015.3 16523 -18538 -18538 -0.00056194 -0.00063813 0.00038097 7.7216e+05 2024-05-09 04:26:07,820 INFO [main.py:798]
{rank 0/64} MD step = 477700 step time: 00:00:00.160741 Performance: 67.145 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:26:13,186 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 149.45 -2081.6 16380 -18461 -18461 -0.00046669 -0.00065718 0.00046669 7.7232e+05 2024-05-09 04:26:28,857 INFO [main.py:798]
{rank 0/64} MD step = 477800 step time: 00:00:00.156565 Performance: 67.148 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:26:34,503 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 151.69 -1663.3 16626 -18289 -18289 -0.00034288 -0.00038097 0.00060956 7.7252e+05 2024-05-09 04:26:50,595 INFO [main.py:798]
{rank 0/64} MD step = 477900 step time: 00:00:00.159364 Performance: 67.150 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:26:55,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477900 95580 149.95 -1799.6 16434 -18234 -18234 -0.00026668 -0.00040002 0.00060956 7.7271e+05 2024-05-09 04:27:11,658 INFO [main.py:798]
{rank 0/64} MD step = 478000 step time: 00:00:00.158421 Performance: 67.153 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:27:19,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478000 95600 151.69 -1904 16625 -18529 -18529 -0.0010096 -0.00059051 0.00088576 7.7287e+05 2024-05-09 04:27:35,158 INFO [main.py:798]
{rank 0/64} MD step = 478100 step time: 00:00:00.157903 Performance: 67.154 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:27:41,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478100 95620 149.15 -2305.7 16347 -18653 -18653 -0.00033335 -0.00081909 0.00057146 7.7302e+05 2024-05-09 04:27:57,665 INFO [main.py:798]
{rank 0/64} MD step = 478200 step time: 00:00:00.162492 Performance: 67.156 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:28:03,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478200 95640 147.15 -2456.5 16128 -18585 -18585 -0.00053336 -0.00038097 0.00036193 7.732e+05 2024-05-09 04:28:19,013 INFO [main.py:798]
{rank 0/64} MD step = 478300 step time: 00:00:00.149010 Performance: 67.158 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:28:29,618 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 150.78 -1995.4 16525 -18521 -18521 -0.00064766 -0.0006667 0.00055241 7.7335e+05 2024-05-09 04:28:45,864 INFO [main.py:798]
{rank 0/64} MD step = 478400 step time: 00:00:00.156248 Performance: 67.158 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:28:55,019 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 150.54 -1830.2 16500 -18330 -18330 -0.00030478 -0.00026668 0.00045717 7.7356e+05 2024-05-09 04:29:11,088 INFO [main.py:798]
{rank 0/64} MD step = 478500 step time: 00:00:00.155489 Performance: 67.158 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:29:27,230 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 150.24 -1950 16467 -18417 -18417 -0.00041907 -0.00034288 0.00091434 7.737e+05 2024-05-09 04:29:46,854 INFO [main.py:798]
{rank 0/64} MD step = 478600 step time: 00:00:00.158636 Performance: 67.152 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:30:21,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478600 95720 148.54 -2268.8 16280 -18549 -18549 -0.0006667 -0.00076195 0.00085719 7.7385e+05 2024-05-09 04:30:37,928 INFO [main.py:798]
{rank 0/64} MD step = 478700 step time: 00:00:00.156340 Performance: 67.139 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:30:44,863 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 148.64 -2254 16291 -18545 -18545 -0.00053336 -0.00076195 0.00062384 7.7398e+05 2024-05-09 04:31:00,826 INFO [main.py:798]
{rank 0/64} MD step = 478800 step time: 00:00:00.157130 Performance: 67.140 ns/day 0.357 hours/ns 3.885 steps/s 2024-05-09 04:31:06,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478800 95760 149.81 -2181.2 16419 -18600 -18600 -0.00049527 -0.00076195 0.00026668 7.741e+05 2024-05-09 04:31:22,025 INFO [main.py:798]
{rank 0/64} MD step = 478900 step time: 00:00:00.157776 Performance: 67.143 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:31:28,577 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 151.06 -1905.7 16557 -18463 -18463 -0.00085719 -0.00053336 0.00045717 7.7426e+05 2024-05-09 04:31:45,337 INFO [main.py:798]
{rank 0/64} MD step = 479000 step time: 00:00:00.151501 Performance: 67.144 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:31:50,696 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 151.38 -2004.5 16591 -18596 -18596 -0.00046669 -0.00085719 0.00081909 7.7442e+05 2024-05-09 04:32:06,039 INFO [main.py:798]
{rank 0/64} MD step = 479100 step time: 00:00:00.157539 Performance: 67.147 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:32:10,593 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 153.48 -1659 16822 -18481 -18481 -0.00057146 -0.00029525 0.00083814 7.7463e+05 2024-05-09 04:32:28,090 INFO [main.py:798]
{rank 0/64} MD step = 479200 step time: 00:00:00.146540 Performance: 67.149 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:32:33,725 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 151.49 -1839.8 16604 -18443 -18443 -0.00073337 -0.00038097 0.00062861 7.7479e+05 2024-05-09 04:32:49,547 INFO [main.py:798]
{rank 0/64} MD step = 479300 step time: 00:00:00.149418 Performance: 67.151 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:32:55,863 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 148.31 -2153.2 16255 -18408 -18408 -0.00091434 -0.00055241 0.00043812 7.7493e+05 2024-05-09 04:33:11,637 INFO [main.py:798]
{rank 0/64} MD step = 479400 step time: 00:00:00.150541 Performance: 67.153 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:33:18,017 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 149.24 -2008.9 16357 -18366 -18366 -0.00087624 -0.00049527 0.00034288 7.7514e+05 2024-05-09 04:33:33,229 INFO [main.py:798]
{rank 0/64} MD step = 479500 step time: 00:00:00.140157 Performance: 67.155 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:33:41,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479500 95900 151.22 -1757 16574 -18331 -18331 -0.00032383 -0.00056194 0.00064766 7.7531e+05 2024-05-09 04:33:56,231 INFO [main.py:798]
{rank 0/64} MD step = 479600 step time: 00:00:00.182155 Performance: 67.157 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:34:02,999 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 148.95 -2168 16325 -18493 -18493 -0.00041907 -0.00045717 0.00034288 7.7548e+05 2024-05-09 04:34:17,885 INFO [main.py:798]
{rank 0/64} MD step = 479700 step time: 00:00:00.151444 Performance: 67.159 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:34:26,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479700 95940 151.27 -1654.7 16580 -18234 -18234 -0.00045717 -0.00041907 0.00064766 7.7567e+05 2024-05-09 04:34:41,323 INFO [main.py:798]
{rank 0/64} MD step = 479800 step time: 00:00:00.157182 Performance: 67.160 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:34:54,240 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 150.68 -1753.5 16514 -18268 -18268 -0.00032383 -0.00071433 0.00040955 7.7589e+05 2024-05-09 04:35:10,059 INFO [main.py:798]
{rank 0/64} MD step = 479900 step time: 00:00:00.165486 Performance: 67.158 ns/day 0.357 hours/ns 3.886 steps/s 2024-05-09 04:35:17,136 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 148.96 -2201.9 16326 -18528 -18528 -0.00076195 -0.00067147 0.00034288 7.7603e+05 2024-05-09 04:35:33,164 INFO [main.py:798]
{rank 0/64} MD step = 480000 step time: 00:00:00.160574 Performance: 67.160 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:35:39,793 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 147.5 -2115 16166 -18281 -18281 -0.00064766 -0.00060956 0.00081909 7.7621e+05 2024-05-09 04:35:55,393 INFO [main.py:798]
{rank 0/64} MD step = 480100 step time: 00:00:00.158211 Performance: 67.162 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:36:00,799 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 151.83 -1703.9 16640 -18344 -18344 -0.00030478 -0.0006667 0.00030478 7.7639e+05 2024-05-09 04:36:16,553 INFO [main.py:798]
{rank 0/64} MD step = 480200 step time: 00:00:00.157108 Performance: 67.164 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:36:22,849 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 148.7 -1871.2 16298 -18169 -18169 -0.00068575 -0.00052384 0.0007429 7.7654e+05 2024-05-09 04:36:38,507 INFO [main.py:798]
{rank 0/64} MD step = 480300 step time: 00:00:00.151781 Performance: 67.166 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:36:44,278 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 149.6 -1891.3 16396 -18288 -18288 -0.00034288 -0.00087624 0.00053336 7.7667e+05 2024-05-09 04:36:59,050 INFO [main.py:798]
{rank 0/64} MD step = 480400 step time: 00:00:00.143837 Performance: 67.169 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:37:07,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480400 96080 153.65 -1704.2 16840 -18545 -18545 -0.00091434 -0.00090481 0.00057622 7.768e+05 2024-05-09 04:37:22,393 INFO [main.py:798]
{rank 0/64} MD step = 480500 step time: 00:00:00.141308 Performance: 67.170 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:37:34,471 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 147.5 -2348.3 16167 -18515 -18515 -0.00045717 -0.00049527 0.00022858 7.7702e+05 2024-05-09 04:37:50,292 INFO [main.py:798]
{rank 0/64} MD step = 480600 step time: 00:00:00.150019 Performance: 67.169 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:37:59,655 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 151.12 -1877 16563 -18440 -18440 -0.00083814 -0.00075242 0.00053336 7.7722e+05 2024-05-09 04:38:15,386 INFO [main.py:798]
{rank 0/64} MD step = 480700 step time: 00:00:00.150462 Performance: 67.170 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:38:23,720 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 151.71 -1907.1 16628 -18535 -18535 -0.00076195 -0.0004286 0.00034288 7.7735e+05 2024-05-09 04:38:38,920 INFO [main.py:798]
{rank 0/64} MD step = 480800 step time: 00:00:00.148751 Performance: 67.171 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:38:46,448 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 150.57 -1905.8 16503 -18409 -18409 -0.00060956 -0.00034288 0.00045717 7.7751e+05 2024-05-09 04:39:02,130 INFO [main.py:798]
{rank 0/64} MD step = 480900 step time: 00:00:00.149774 Performance: 67.172 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:39:07,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480900 96180 147.97 -2047.8 16218 -18266 -18266 -0.00019049 -0.00060956 0.00054289 7.7768e+05 2024-05-09 04:39:23,844 INFO [main.py:798]
{rank 0/64} MD step = 481000 step time: 00:00:00.148824 Performance: 67.174 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:39:30,930 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 150.72 -2045.9 16519 -18565 -18565 -0.00072385 5.7146e-05 0.00057146 7.7785e+05 2024-05-09 04:39:46,983 INFO [main.py:798]
{rank 0/64} MD step = 481100 step time: 00:00:00.141773 Performance: 67.176 ns/day 0.357 hours/ns 3.887 steps/s 2024-05-09 04:39:53,880 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 147.76 -2253.5 16195 -18448 -18448 -0.0007048 -0.00068099 0.00059051 7.7806e+05 2024-05-09 04:40:09,958 INFO [main.py:798]
{rank 0/64} MD step = 481200 step time: 00:00:00.150357 Performance: 67.177 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:40:16,613 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 151 -1861.8 16550 -18412 -18412 -0.00092386 -0.00049527 0.00030478 7.782e+05 2024-05-09 04:40:32,736 INFO [main.py:798]
{rank 0/64} MD step = 481300 step time: 00:00:00.142312 Performance: 67.179 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:40:39,511 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 149.58 -1973.8 16394 -18368 -18368 -0.00068575 -0.00076195 0.00061908 7.784e+05 2024-05-09 04:40:55,138 INFO [main.py:798]
{rank 0/64} MD step = 481400 step time: 00:00:00.144561 Performance: 67.181 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:41:02,337 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 150.48 -1978.8 16493 -18471 -18471 -0.00064766 -0.00046669 0.00028573 7.7855e+05 2024-05-09 04:41:17,832 INFO [main.py:798]
{rank 0/64} MD step = 481500 step time: 00:00:00.147998 Performance: 67.182 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:41:24,233 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 150.1 -2013.3 16451 -18464 -18464 -0.00056194 -0.00081909 0.00049527 7.7873e+05 2024-05-09 04:41:39,130 INFO [main.py:798]
{rank 0/64} MD step = 481600 step time: 00:00:00.147167 Performance: 67.185 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:41:45,483 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 150.72 -1836.8 16519 -18356 -18356 -0.00076195 -0.00020954 0.00072385 7.7885e+05 2024-05-09 04:42:01,129 INFO [main.py:798]
{rank 0/64} MD step = 481700 step time: 00:00:00.157532 Performance: 67.187 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:42:07,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481700 96340 150.98 -1757.5 16548 -18306 -18306 -0.00080005 -0.0007429 0.00076195 7.7905e+05 2024-05-09 04:42:21,740 INFO [main.py:798]
{rank 0/64} MD step = 481800 step time: 00:00:00.149608 Performance: 67.189 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:42:26,739 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 151.74 -1619.2 16631 -18250 -18250 -0.00051431 -0.00095243 0.0007429 7.7922e+05 2024-05-09 04:42:41,710 INFO [main.py:798]
{rank 0/64} MD step = 481900 step time: 00:00:00.153001 Performance: 67.193 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:42:47,388 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 149.51 -2061.7 16387 -18448 -18448 -0.00053336 -0.00060956 0.00036193 7.7935e+05 2024-05-09 04:43:02,765 INFO [main.py:798]
{rank 0/64} MD step = 482000 step time: 00:00:00.153651 Performance: 67.195 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:43:20,708 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 149.74 -2085.5 16412 -18497 -18497 -0.00089529 -0.00053336 0.00080005 7.7954e+05 2024-05-09 04:43:40,619 INFO [main.py:798]
{rank 0/64} MD step = 482100 step time: 00:00:00.160514 Performance: 67.189 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:43:50,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482100 96420 151.71 -1891.7 16627 -18519 -18519 -0.00057146 -0.00019049 0.00083814 7.7971e+05 2024-05-09 04:44:07,392 INFO [main.py:798]
{rank 0/64} MD step = 482200 step time: 00:00:00.158319 Performance: 67.188 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:44:13,059 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 152.08 -1788.4 16668 -18456 -18456 -0.0007048 -0.00083814 0.00022858 7.7988e+05 2024-05-09 04:44:29,527 INFO [main.py:798]
{rank 0/64} MD step = 482300 step time: 00:00:00.155958 Performance: 67.190 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:44:34,633 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 150.27 -1819.2 16470 -18289 -18289 -0.00038097 -0.0006667 0.00047622 7.8006e+05 2024-05-09 04:44:50,769 INFO [main.py:798]
{rank 0/64} MD step = 482400 step time: 00:00:00.157344 Performance: 67.192 ns/day 0.357 hours/ns 3.888 steps/s 2024-05-09 04:44:55,918 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 149.25 -1958.7 16358 -18317 -18317 -0.00081909 -0.00076195 0.00083814 7.8019e+05 2024-05-09 04:45:12,287 INFO [main.py:798]
{rank 0/64} MD step = 482500 step time: 00:00:00.165691 Performance: 67.195 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:45:18,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482500 96500 150.75 -1985.8 16523 -18509 -18509 -0.00057146 -0.00038097 0.0006667 7.8033e+05 2024-05-09 04:45:33,705 INFO [main.py:798]
{rank 0/64} MD step = 482600 step time: 00:00:00.156549 Performance: 67.197 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:45:39,932 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 150.94 -1982 16543 -18525 -18525 -0.00072385 -0.00095243 0.00057146 7.8052e+05 2024-05-09 04:45:55,404 INFO [main.py:798]
{rank 0/64} MD step = 482700 step time: 00:00:00.153893 Performance: 67.199 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:46:01,129 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 150.25 -1959.8 16467 -18427 -18427 -0.00088576 -0.00053336 0.00054289 7.8062e+05 2024-05-09 04:46:15,582 INFO [main.py:798]
{rank 0/64} MD step = 482800 step time: 00:00:00.158488 Performance: 67.202 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:46:20,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482800 96560 150.52 -1821.7 16497 -18319 -18319 -0.00068575 -0.00051431 0.00049527 7.8081e+05 2024-05-09 04:46:36,139 INFO [main.py:798]
{rank 0/64} MD step = 482900 step time: 00:00:00.164376 Performance: 67.205 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:46:41,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482900 96580 150.06 -2057.5 16447 -18504 -18504 -0.00051431 -0.00064766 0.00038097 7.8092e+05 2024-05-09 04:46:56,374 INFO [main.py:798]
{rank 0/64} MD step = 483000 step time: 00:00:00.155706 Performance: 67.208 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:47:02,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483000 96600 150.84 -1661.2 16532 -18193 -18193 -0.00040002 -0.00045717 0.00057146 7.8109e+05 2024-05-09 04:47:17,423 INFO [main.py:798]
{rank 0/64} MD step = 483100 step time: 00:00:00.164073 Performance: 67.210 ns/day 0.357 hours/ns 3.889 steps/s 2024-05-09 04:47:23,781 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 151.36 -1683.3 16589 -18272 -18272 -0.00060956 -0.0010191 0.00053336 7.8125e+05 2024-05-09 04:47:38,827 INFO [main.py:798]
{rank 0/64} MD step = 483200 step time: 00:00:00.155361 Performance: 67.213 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:47:43,939 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 151.03 -2059 16553 -18612 -18612 -0.0010001 -0.00051431 0.00068575 7.814e+05 2024-05-09 04:47:59,341 INFO [main.py:798]
{rank 0/64} MD step = 483300 step time: 00:00:00.158285 Performance: 67.216 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:48:05,289 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 149.89 -2142.1 16428 -18571 -18571 -0.00041907 -0.00041907 0.00030478 7.8158e+05 2024-05-09 04:48:20,614 INFO [main.py:798]
{rank 0/64} MD step = 483400 step time: 00:00:00.155838 Performance: 67.218 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:48:26,515 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 148.49 -2182.5 16275 -18458 -18458 -0.0003143 -0.000781 0.00072385 7.8175e+05 2024-05-09 04:48:41,954 INFO [main.py:798]
{rank 0/64} MD step = 483500 step time: 00:00:00.144888 Performance: 67.220 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:48:53,034 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 152.62 -1579 16727 -18306 -18306 -0.00033335 -0.00051431 0.00087624 7.8196e+05 2024-05-09 04:49:08,024 INFO [main.py:798]
{rank 0/64} MD step = 483600 step time: 00:00:00.153140 Performance: 67.220 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:49:12,868 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 150.25 -1741.3 16467 -18208 -18208 -0.00038097 -0.00091434 0.00060956 7.8205e+05 2024-05-09 04:49:28,225 INFO [main.py:798]
{rank 0/64} MD step = 483700 step time: 00:00:00.150420 Performance: 67.223 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:49:33,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483700 96740 151.21 -1667.3 16573 -18241 -18241 -0.00091434 -0.00093339 0.00015715 7.8225e+05 2024-05-09 04:49:48,452 INFO [main.py:798]
{rank 0/64} MD step = 483800 step time: 00:00:00.151067 Performance: 67.226 ns/day 0.357 hours/ns 3.890 steps/s 2024-05-09 04:49:54,292 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 149.5 -2070.1 16386 -18456 -18456 -0.00093339 -0.00053336 0.00019049 7.8238e+05 2024-05-09 04:50:09,581 INFO [main.py:798]
{rank 0/64} MD step = 483900 step time: 00:00:00.157153 Performance: 67.229 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:50:12,531 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 151.09 -1732 16559 -18291 -18291 -0.00076195 -0.00034288 0.00051431 7.8251e+05 2024-05-09 04:50:28,738 INFO [main.py:798]
{rank 0/64} MD step = 484000 step time: 00:00:00.135420 Performance: 67.232 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:50:33,795 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 149.44 -1707.7 16379 -18087 -18087 -0.00080005 -0.00087624 0.00038097 7.8268e+05 2024-05-09 04:50:49,553 INFO [main.py:798]
{rank 0/64} MD step = 484100 step time: 00:00:00.155816 Performance: 67.235 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:50:55,375 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 148.24 -2086.8 16247 -18334 -18334 -0.00028573 -0.00056194 0.00057146 7.8281e+05 2024-05-09 04:51:10,656 INFO [main.py:798]
{rank 0/64} MD step = 484200 step time: 00:00:00.155419 Performance: 67.237 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:51:15,879 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 149.33 -1666.1 16367 -18033 -18033 -0.00068575 -0.00087624 0.00060956 7.8296e+05 2024-05-09 04:51:31,673 INFO [main.py:798]
{rank 0/64} MD step = 484300 step time: 00:00:00.159176 Performance: 67.240 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:51:37,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484300 96860 151.45 -1517.2 16599 -18117 -18117 -0.0003905 -0.00046669 0.00085719 7.8314e+05 2024-05-09 04:51:52,933 INFO [main.py:798]
{rank 0/64} MD step = 484400 step time: 00:00:00.162949 Performance: 67.242 ns/day 0.357 hours/ns 3.891 steps/s 2024-05-09 04:51:57,910 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 151.42 -1583.6 16596 -18180 -18180 -0.00053336 -0.00040002 0.00053336 7.8324e+05 2024-05-09 04:52:13,010 INFO [main.py:798]
{rank 0/64} MD step = 484500 step time: 00:00:00.160700 Performance: 67.245 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:52:19,110 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 151.05 -1877.7 16555 -18433 -18433 -0.00041907 -0.00051431 0.00081909 7.8344e+05 2024-05-09 04:52:33,976 INFO [main.py:798]
{rank 0/64} MD step = 484600 step time: 00:00:00.154656 Performance: 67.248 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:52:41,226 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 150.55 -1646.8 16500 -18147 -18147 -0.00045717 -0.00060956 0.00049527 7.8361e+05 2024-05-09 04:52:56,554 INFO [main.py:798]
{rank 0/64} MD step = 484700 step time: 00:00:00.159437 Performance: 67.249 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:53:04,485 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 150.35 -1771.7 16478 -18250 -18250 -0.00051431 -0.00024763 0.0010667 7.8376e+05 2024-05-09 04:53:19,644 INFO [main.py:798]
{rank 0/64} MD step = 484800 step time: 00:00:00.158406 Performance: 67.251 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:53:25,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484800 96960 149.96 -1610.2 16436 -18046 -18046 -0.00045717 -0.00057146 0.00048574 7.8395e+05 2024-05-09 04:53:44,087 INFO [main.py:798]
{rank 0/64} MD step = 484900 step time: 00:00:00.165515 Performance: 67.251 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:53:51,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484900 96980 151.31 -1673.6 16584 -18258 -18258 -0.00087624 -0.00068575 0.00064766 7.8409e+05 2024-05-09 04:54:06,250 INFO [main.py:798]
{rank 0/64} MD step = 485000 step time: 00:00:00.179926 Performance: 67.253 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:54:13,983 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 148.82 -2096.2 16310 -18407 -18407 -0.00057146 -0.00068575 0.00064766 7.8423e+05 2024-05-09 04:54:30,043 INFO [main.py:798]
{rank 0/64} MD step = 485100 step time: 00:00:00.142731 Performance: 67.254 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:54:35,815 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 152.9 -1361.7 16758 -18120 -18120 -0.00082862 -0.00045717 0.00055241 7.8437e+05 2024-05-09 04:54:50,408 INFO [main.py:798]
{rank 0/64} MD step = 485200 step time: 00:00:00.151308 Performance: 67.257 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:54:57,481 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 150.05 -1810.7 16445 -18256 -18256 -0.00064766 -0.00045717 0.0010858 7.8453e+05 2024-05-09 04:55:13,774 INFO [main.py:798]
{rank 0/64} MD step = 485300 step time: 00:00:00.145638 Performance: 67.259 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:55:19,951 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 148.64 -1986.1 16291 -18277 -18277 -0.00026668 -0.00057146 0.00045717 7.8468e+05 2024-05-09 04:55:35,476 INFO [main.py:798]
{rank 0/64} MD step = 485400 step time: 00:00:00.148318 Performance: 67.261 ns/day 0.357 hours/ns 3.892 steps/s 2024-05-09 04:55:41,074 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 150.33 -2043.3 16477 -18520 -18520 -0.00030478 -0.00068575 0.00045717 7.8488e+05 2024-05-09 04:55:56,688 INFO [main.py:798]
{rank 0/64} MD step = 485500 step time: 00:00:00.152193 Performance: 67.263 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:56:01,738 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 148.97 -2064.5 16327 -18392 -18392 -0.00038097 -0.00059051 0.00045717 7.8502e+05 2024-05-09 04:56:17,326 INFO [main.py:798]
{rank 0/64} MD step = 485600 step time: 00:00:00.151417 Performance: 67.266 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:56:22,500 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 152.25 -2095.6 16687 -18782 -18782 -0.00072385 -0.00040955 0.00091434 7.8515e+05 2024-05-09 04:56:38,227 INFO [main.py:798]
{rank 0/64} MD step = 485700 step time: 00:00:00.149237 Performance: 67.268 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:56:43,413 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 149.97 -1890.5 16437 -18328 -18328 -0.00030478 -0.00068575 0.00083814 7.8534e+05 2024-05-09 04:56:59,480 INFO [main.py:798]
{rank 0/64} MD step = 485800 step time: 00:00:00.141633 Performance: 67.271 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:57:05,555 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 148.87 -2209.4 16317 -18526 -18526 -0.00038097 -0.00076195 2.8573e-05 7.8555e+05 2024-05-09 04:57:21,757 INFO [main.py:798]
{rank 0/64} MD step = 485900 step time: 00:00:00.155753 Performance: 67.273 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:57:29,039 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 149.96 -1983.3 16436 -18419 -18419 -0.00072385 -0.0006667 0.00038097 7.8571e+05 2024-05-09 04:57:44,905 INFO [main.py:798]
{rank 0/64} MD step = 486000 step time: 00:00:00.150170 Performance: 67.274 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:57:50,560 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 151.61 -1847.1 16617 -18464 -18464 -0.00053813 -0.00038097 0.00076195 7.8589e+05 2024-05-09 04:58:06,315 INFO [main.py:798]
{rank 0/64} MD step = 486100 step time: 00:00:00.173061 Performance: 67.276 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:58:11,740 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 151.95 -1598.8 16654 -18253 -18253 -0.00068575 -0.00076195 0.000781 7.8604e+05 2024-05-09 04:58:27,485 INFO [main.py:798]
{rank 0/64} MD step = 486200 step time: 00:00:00.156420 Performance: 67.279 ns/day 0.357 hours/ns 3.893 steps/s 2024-05-09 04:58:33,349 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 148.51 -2233.8 16277 -18511 -18511 -0.00089529 -0.00068575 0.00081909 7.8619e+05 2024-05-09 04:58:48,989 INFO [main.py:798]
{rank 0/64} MD step = 486300 step time: 00:00:00.156702 Performance: 67.281 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:58:54,872 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 152.27 -1756.9 16689 -18446 -18446 0 -0.00072385 0.00057146 7.8634e+05 2024-05-09 04:59:09,979 INFO [main.py:798]
{rank 0/64} MD step = 486400 step time: 00:00:00.156241 Performance: 67.283 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:59:17,133 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 152.31 -1663.1 16693 -18356 -18356 -0.00068575 -0.0006667 0.00095243 7.8649e+05 2024-05-09 04:59:32,614 INFO [main.py:798]
{rank 0/64} MD step = 486500 step time: 00:00:00.162831 Performance: 67.285 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 04:59:37,448 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 149.03 -2094 16334 -18428 -18428 -0.00076195 -0.00077147 0.00062861 7.8667e+05 2024-05-09 04:59:55,117 INFO [main.py:798]
{rank 0/64} MD step = 486600 step time: 00:00:00.165384 Performance: 67.287 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 05:00:01,392 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 150.48 -1849.7 16493 -18342 -18342 -0.00048574 -0.00045717 0.00073337 7.8695e+05 2024-05-09 05:00:16,670 INFO [main.py:798]
{rank 0/64} MD step = 486700 step time: 00:00:00.163685 Performance: 67.289 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 05:00:22,949 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 149.43 -2092.7 16378 -18471 -18471 -0.00071433 -0.00023811 0.00046669 7.8706e+05 2024-05-09 05:00:37,829 INFO [main.py:798]
{rank 0/64} MD step = 486800 step time: 00:00:00.140187 Performance: 67.292 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 05:00:46,911 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 150.13 -2028.7 16454 -18483 -18483 -0.0010667 -0.00087624 0.00063813 7.8726e+05 2024-05-09 05:01:02,352 INFO [main.py:798]
{rank 0/64} MD step = 486900 step time: 00:00:00.148680 Performance: 67.292 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 05:01:08,698 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 148.49 -2010.4 16275 -18285 -18285 -0.00043812 -0.00043812 0.00087624 7.8743e+05 2024-05-09 05:01:23,992 INFO [main.py:798]
{rank 0/64} MD step = 487000 step time: 00:00:00.144450 Performance: 67.294 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 05:01:31,150 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 149.89 -1891.9 16429 -18321 -18321 -0.0010667 -0.00065718 0.00053336 7.8758e+05 2024-05-09 05:01:46,527 INFO [main.py:798]
{rank 0/64} MD step = 487100 step time: 00:00:00.152142 Performance: 67.296 ns/day 0.357 hours/ns 3.894 steps/s 2024-05-09 05:01:52,758 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 150.23 -1898.6 16466 -18364 -18364 -0.00075242 -0.00081909 0.00045717 7.8778e+05 2024-05-09 05:02:08,135 INFO [main.py:798]
{rank 0/64} MD step = 487200 step time: 00:00:00.149074 Performance: 67.298 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 05:02:13,660 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 149.07 -1960.4 16338 -18299 -18299 -0.00068575 -0.00041907 0.00038097 7.8796e+05 2024-05-09 05:02:29,143 INFO [main.py:798]
{rank 0/64} MD step = 487300 step time: 00:00:00.163198 Performance: 67.301 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 05:02:35,154 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 149.91 -1993.9 16430 -18424 -18424 -0.00085719 -0.00026668 0.00080005 7.881e+05 2024-05-09 05:02:50,421 INFO [main.py:798]
{rank 0/64} MD step = 487400 step time: 00:00:00.161131 Performance: 67.303 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 05:02:56,251 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 150.27 -1965.6 16469 -18435 -18435 -0.00057146 -0.00080005 0.00068575 7.8824e+05 2024-05-09 05:03:10,741 INFO [main.py:798]
{rank 0/64} MD step = 487500 step time: 00:00:00.154848 Performance: 67.306 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 05:03:15,821 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 149.25 -2071.3 16358 -18429 -18429 -0.00041907 -0.00081909 0.00080005 7.8842e+05 2024-05-09 05:03:31,146 INFO [main.py:798]
{rank 0/64} MD step = 487600 step time: 00:00:00.156455 Performance: 67.309 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 05:03:37,025 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 149.61 -1918.9 16398 -18317 -18317 -0.00083814 -0.00080005 0.0007429 7.8857e+05 2024-05-09 05:03:57,407 INFO [main.py:798]
{rank 0/64} MD step = 487700 step time: 00:00:00.155204 Performance: 67.308 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 05:04:04,151 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 150.85 -1920.2 16534 -18454 -18454 -0.00064766 -0.00086672 0.00091434 7.8872e+05 2024-05-09 05:04:19,949 INFO [main.py:798]
{rank 0/64} MD step = 487800 step time: 00:00:00.160231 Performance: 67.310 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 05:04:23,841 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 150.31 -2159.8 16475 -18634 -18634 -0.00053336 -0.00072385 0.00036193 7.8889e+05 2024-05-09 05:04:40,660 INFO [main.py:798]
{rank 0/64} MD step = 487900 step time: 00:00:00.155610 Performance: 67.313 ns/day 0.357 hours/ns 3.895 steps/s 2024-05-09 05:04:45,876 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 149.05 -1996.9 16336 -18333 -18333 -0.00055241 -0.00076195 0.00019049 7.8906e+05 2024-05-09 05:05:01,277 INFO [main.py:798]
{rank 0/64} MD step = 488000 step time: 00:00:00.160717 Performance: 67.316 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 05:05:06,985 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 148.41 -2318.1 16266 -18585 -18585 -0.00030478 -0.00081909 0.00043812 7.8919e+05 2024-05-09 05:05:21,977 INFO [main.py:798]
{rank 0/64} MD step = 488100 step time: 00:00:00.151162 Performance: 67.318 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 05:05:31,715 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 149.35 -2020.3 16369 -18389 -18389 -0.000781 -0.00053336 0.00076195 7.8937e+05 2024-05-09 05:05:47,298 INFO [main.py:798]
{rank 0/64} MD step = 488200 step time: 00:00:00.159764 Performance: 67.318 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 05:05:53,311 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 152.53 -1586.7 16717 -18304 -18304 -0.00038097 -0.00088576 0.00022858 7.8949e+05 2024-05-09 05:06:08,556 INFO [main.py:798]
{rank 0/64} MD step = 488300 step time: 00:00:00.157898 Performance: 67.321 ns/day 0.357 hours/ns 3.896 steps/s 2024-05-09 05:06:15,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488300 97660 149.86 -1963.6 16425 -18388 -18388 -0.0007048 -0.00020954 0.00038097 7.8962e+05 2024-05-09 05:06:30,835 INFO [main.py:798]
{rank 0/64} MD step = 488400 step time: 00:00:00.161079 Performance: 67.323 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:06:39,730 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 150.55 -1574.9 16501 -18076 -18076 -0.00022858 -0.00089529 0.00053336 7.8979e+05 2024-05-09 05:06:54,833 INFO [main.py:798]
{rank 0/64} MD step = 488500 step time: 00:00:00.152393 Performance: 67.323 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:07:00,395 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 149.32 -1923.3 16366 -18289 -18289 -0.00030478 -0.00061908 0.0007429 7.8992e+05 2024-05-09 05:07:15,320 INFO [main.py:798]
{rank 0/64} MD step = 488600 step time: 00:00:00.149423 Performance: 67.326 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:07:22,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488600 97720 150.42 -2049.5 16487 -18536 -18536 -0.00068575 -0.00072385 0.00030478 7.9005e+05 2024-05-09 05:07:37,958 INFO [main.py:798]
{rank 0/64} MD step = 488700 step time: 00:00:00.144755 Performance: 67.328 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:07:45,119 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 151.15 -1719.3 16567 -18286 -18286 -0.00038097 -0.00072385 0.00072385 7.9028e+05 2024-05-09 05:08:00,750 INFO [main.py:798]
{rank 0/64} MD step = 488800 step time: 00:00:00.144370 Performance: 67.329 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:08:07,800 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 149.42 -2083.7 16376 -18460 -18460 -0.00036193 -0.00056194 0.00072385 7.9043e+05 2024-05-09 05:08:23,489 INFO [main.py:798]
{rank 0/64} MD step = 488900 step time: 00:00:00.152919 Performance: 67.331 ns/day 0.356 hours/ns 3.896 steps/s 2024-05-09 05:08:29,579 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 151.55 -1976.7 16611 -18587 -18587 -0.00057146 -0.00058099 0.00038097 7.9056e+05 2024-05-09 05:08:45,421 INFO [main.py:798]
{rank 0/64} MD step = 489000 step time: 00:00:00.156482 Performance: 67.333 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:08:51,120 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 149.59 -2083.6 16395 -18479 -18479 -0.00076195 -0.00047622 0.0006667 7.9072e+05 2024-05-09 05:09:06,572 INFO [main.py:798]
{rank 0/64} MD step = 489100 step time: 00:00:00.158961 Performance: 67.335 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:09:11,748 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 148.98 -2175.7 16328 -18504 -18504 -0.00051431 -0.00091434 0.00059051 7.909e+05 2024-05-09 05:09:28,716 INFO [main.py:798]
{rank 0/64} MD step = 489200 step time: 00:00:00.159296 Performance: 67.337 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:09:33,975 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 151.38 -1871.2 16591 -18463 -18463 -0.00015239 -0.00069528 0.00057146 7.9105e+05 2024-05-09 05:09:49,576 INFO [main.py:798]
{rank 0/64} MD step = 489300 step time: 00:00:00.154340 Performance: 67.340 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:09:56,722 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 149.71 -2186.5 16408 -18595 -18595 -0.00060956 -0.00034288 0.00091434 7.9122e+05 2024-05-09 05:10:12,106 INFO [main.py:798]
{rank 0/64} MD step = 489400 step time: 00:00:00.151302 Performance: 67.342 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:10:41,401 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 147.22 -2257.5 16136 -18393 -18393 -0.00051431 -0.00041907 0.00071433 7.9135e+05 2024-05-09 05:10:55,742 INFO [main.py:798]
{rank 0/64} MD step = 489500 step time: 00:00:00.150701 Performance: 67.332 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:11:02,325 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 149.59 -1983.9 16395 -18379 -18379 -0.0010667 -0.00076195 0.0010286 7.9152e+05 2024-05-09 05:11:18,201 INFO [main.py:798]
{rank 0/64} MD step = 489600 step time: 00:00:00.146868 Performance: 67.334 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:11:21,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489600 97920 149.18 -2005.7 16350 -18356 -18356 -0.00033335 -0.00080957 0.00083814 7.9166e+05 2024-05-09 05:11:37,818 INFO [main.py:798]
{rank 0/64} MD step = 489700 step time: 00:00:00.158033 Performance: 67.337 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:11:44,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489700 97940 150.37 -2199.3 16481 -18681 -18681 -0.00065718 -0.00090481 0.00059051 7.918e+05 2024-05-09 05:11:59,174 INFO [main.py:798]
{rank 0/64} MD step = 489800 step time: 00:00:00.138733 Performance: 67.339 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:12:09,612 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 149.32 -2092.9 16366 -18459 -18459 -0.00057146 -0.00064766 0.0006667 7.9196e+05 2024-05-09 05:12:24,342 INFO [main.py:798]
{rank 0/64} MD step = 489900 step time: 00:00:00.134966 Performance: 67.339 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:12:31,445 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 149.8 -2130.3 16418 -18549 -18549 -0.00076195 -0.00067623 0.00076195 7.9211e+05 2024-05-09 05:12:46,171 INFO [main.py:798]
{rank 0/64} MD step = 490000 step time: 00:00:00.155400 Performance: 67.341 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:13:05,421 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 149.58 -2058.3 16395 -18453 -18453 -0.00053336 -0.0006667 0.00083814 7.9224e+05 2024-05-09 05:13:20,894 INFO [main.py:798]
{rank 0/64} MD step = 490100 step time: 00:00:00.146287 Performance: 67.337 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:13:28,030 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 149.05 -1943.5 16336 -18279 -18279 -0.00057146 -0.00022858 0.00085719 7.9243e+05 2024-05-09 05:13:43,297 INFO [main.py:798]
{rank 0/64} MD step = 490200 step time: 00:00:00.145544 Performance: 67.338 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:13:49,892 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 151.15 -1876.2 16566 -18442 -18442 -0.00060956 -0.00062861 0.00060956 7.9261e+05 2024-05-09 05:14:06,217 INFO [main.py:798]
{rank 0/64} MD step = 490300 step time: 00:00:00.176968 Performance: 67.340 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:14:11,645 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 146.79 -2603.7 16088 -18692 -18692 -0.00057146 -0.00034288 0.00060956 7.928e+05 2024-05-09 05:14:27,054 INFO [main.py:798]
{rank 0/64} MD step = 490400 step time: 00:00:00.141222 Performance: 67.342 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:14:33,449 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 149.29 -2217.9 16362 -18580 -18580 -0.00061908 -0.0007048 0.00057146 7.9293e+05 2024-05-09 05:14:49,920 INFO [main.py:798]
{rank 0/64} MD step = 490500 step time: 00:00:00.141809 Performance: 67.344 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:14:56,289 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 146.4 -2649.2 16045 -18694 -18694 -0.00015239 -0.00034288 0.00062861 7.931e+05 2024-05-09 05:15:12,743 INFO [main.py:798]
{rank 0/64} MD step = 490600 step time: 00:00:00.152386 Performance: 67.345 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:15:18,337 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 149.95 -1987 16435 -18422 -18422 -0.00045717 -0.00057146 0.0004286 7.9327e+05 2024-05-09 05:15:33,799 INFO [main.py:798]
{rank 0/64} MD step = 490700 step time: 00:00:00.156398 Performance: 67.348 ns/day 0.356 hours/ns 3.897 steps/s 2024-05-09 05:15:39,726 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 151.52 -1896.4 16607 -18503 -18503 -0.00068575 -0.0007048 0.00043812 7.9343e+05 2024-05-09 05:15:53,937 INFO [main.py:798]
{rank 0/64} MD step = 490800 step time: 00:00:00.143840 Performance: 67.351 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:16:03,246 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 148.64 -2393.7 16291 -18685 -18685 -0.0007048 -0.00093339 0.00045717 7.936e+05 2024-05-09 05:16:18,523 INFO [main.py:798]
{rank 0/64} MD step = 490900 step time: 00:00:00.143382 Performance: 67.351 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:16:25,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490900 98180 148.93 -2238.8 16323 -18562 -18562 -0.00060956 -0.00068575 0.00045717 7.9382e+05 2024-05-09 05:16:40,827 INFO [main.py:798]
{rank 0/64} MD step = 491000 step time: 00:00:00.151780 Performance: 67.353 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:16:46,661 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 147.98 -2349 16219 -18568 -18568 -0.00091434 -0.00089053 0.00062861 7.9396e+05 2024-05-09 05:17:02,690 INFO [main.py:798]
{rank 0/64} MD step = 491100 step time: 00:00:00.152176 Performance: 67.355 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:17:12,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491100 98220 151.49 -1644.7 16604 -18248 -18248 -0.00051431 -0.00041907 0.00076195 7.9414e+05 2024-05-09 05:17:27,358 INFO [main.py:798]
{rank 0/64} MD step = 491200 step time: 00:00:00.136235 Performance: 67.356 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:17:35,705 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 148.18 -2131.8 16241 -18372 -18372 -0.0010667 -0.00053336 0.00065718 7.9426e+05 2024-05-09 05:17:51,950 INFO [main.py:798]
{rank 0/64} MD step = 491300 step time: 00:00:00.140254 Performance: 67.356 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:17:58,599 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 149.98 -1887.9 16438 -18325 -18325 -0.00055241 -0.00043812 0.00032383 7.9441e+05 2024-05-09 05:18:14,601 INFO [main.py:798]
{rank 0/64} MD step = 491400 step time: 00:00:00.149845 Performance: 67.358 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:18:20,102 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 149.76 -1846.9 16413 -18260 -18260 -0.0010286 -0.00051431 0.00045717 7.9458e+05 2024-05-09 05:18:36,368 INFO [main.py:798]
{rank 0/64} MD step = 491500 step time: 00:00:00.155513 Performance: 67.360 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:18:43,099 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 149.35 -2112 16369 -18481 -18481 -0.00064766 -0.00024763 0.00080005 7.9472e+05 2024-05-09 05:18:58,914 INFO [main.py:798]
{rank 0/64} MD step = 491600 step time: 00:00:00.158382 Performance: 67.362 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:19:05,640 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 147.42 -2214.3 16157 -18371 -18371 -0.00057146 -0.00072385 0.00038097 7.9492e+05 2024-05-09 05:19:21,029 INFO [main.py:798]
{rank 0/64} MD step = 491700 step time: 00:00:00.152904 Performance: 67.364 ns/day 0.356 hours/ns 3.898 steps/s 2024-05-09 05:19:24,693 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 149.54 -2058.4 16389 -18448 -18448 -0.00077147 -0.00075242 0.00038097 7.9504e+05 2024-05-09 05:19:41,893 INFO [main.py:798]
{rank 0/64} MD step = 491800 step time: 00:00:00.149610 Performance: 67.366 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:19:50,523 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 147.7 -2099 16188 -18287 -18287 -0.00095243 -0.000781 0.0006667 7.9526e+05 2024-05-09 05:20:06,488 INFO [main.py:798]
{rank 0/64} MD step = 491900 step time: 00:00:00.142842 Performance: 67.367 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:20:12,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491900 98380 151.41 -1888.9 16595 -18483 -18483 -0.00048574 -0.00028573 0.00083814 7.9535e+05 2024-05-09 05:20:28,035 INFO [main.py:798]
{rank 0/64} MD step = 492000 step time: 00:00:00.155320 Performance: 67.369 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:20:34,560 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 150.44 -1715.1 16488 -18203 -18203 -0.00064766 -0.00045717 0.0007429 7.9551e+05 2024-05-09 05:20:50,079 INFO [main.py:798]
{rank 0/64} MD step = 492100 step time: 00:00:00.152615 Performance: 67.371 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:20:56,293 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 151.99 -1604.1 16658 -18262 -18262 -0.00060956 -0.00056194 0.0004286 7.9568e+05 2024-05-09 05:21:11,970 INFO [main.py:798]
{rank 0/64} MD step = 492200 step time: 00:00:00.146244 Performance: 67.373 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:21:18,916 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 151.33 -1679 16586 -18265 -18265 -0.00054289 -0.00081909 0.0010096 7.9584e+05 2024-05-09 05:21:34,813 INFO [main.py:798]
{rank 0/64} MD step = 492300 step time: 00:00:00.144102 Performance: 67.374 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:21:40,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492300 98460 150.54 -1882.4 16500 -18382 -18382 -0.00072385 -0.00051431 0.00053336 7.96e+05 2024-05-09 05:21:57,008 INFO [main.py:798]
{rank 0/64} MD step = 492400 step time: 00:00:00.146416 Performance: 67.376 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:22:01,905 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 150.93 -2039 16542 -18581 -18581 -0.00026668 -0.00043812 0.00076195 7.9615e+05 2024-05-09 05:22:17,652 INFO [main.py:798]
{rank 0/64} MD step = 492500 step time: 00:00:00.147253 Performance: 67.379 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:22:24,363 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 152.36 -1721.2 16699 -18421 -18421 -0.00034288 -0.00077147 0.00045717 7.9631e+05 2024-05-09 05:22:39,186 INFO [main.py:798]
{rank 0/64} MD step = 492600 step time: 00:00:00.140990 Performance: 67.381 ns/day 0.356 hours/ns 3.899 steps/s 2024-05-09 05:22:45,176 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 148.46 -1982.8 16272 -18254 -18254 -0.00072385 -0.00060956 0.00045717 7.9646e+05 2024-05-09 05:23:00,176 INFO [main.py:798]
{rank 0/64} MD step = 492700 step time: 00:00:00.138117 Performance: 67.384 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:23:07,296 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 151.54 -1839.2 16609 -18449 -18449 -0.00087624 -0.00080005 0.00088576 7.9662e+05 2024-05-09 05:23:22,161 INFO [main.py:798]
{rank 0/64} MD step = 492800 step time: 00:00:00.143808 Performance: 67.385 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:23:28,324 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 149.37 -2121.6 16371 -18492 -18492 -0.00030478 -0.00076195 0.00060956 7.9674e+05 2024-05-09 05:23:43,220 INFO [main.py:798]
{rank 0/64} MD step = 492900 step time: 00:00:00.144456 Performance: 67.388 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:23:49,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492900 98580 150.71 -1763 16519 -18282 -18282 -0.00043812 -0.00055241 0.00049527 7.969e+05 2024-05-09 05:24:04,497 INFO [main.py:798]
{rank 0/64} MD step = 493000 step time: 00:00:00.150368 Performance: 67.390 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:24:11,368 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 152.28 -1734.5 16690 -18424 -18424 -0.00087624 -0.00057146 0.00080005 7.9705e+05 2024-05-09 05:24:25,547 INFO [main.py:798]
{rank 0/64} MD step = 493100 step time: 00:00:00.151270 Performance: 67.393 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:24:31,199 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 150.2 -2135.4 16462 -18597 -18597 -0.00019049 -0.00043812 0.00053336 7.9718e+05 2024-05-09 05:24:45,529 INFO [main.py:798]
{rank 0/64} MD step = 493200 step time: 00:00:00.142126 Performance: 67.396 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:24:52,291 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 149.89 -1871.5 16428 -18300 -18300 -0.00056194 -0.0007048 0.0006667 7.9741e+05 2024-05-09 05:25:06,792 INFO [main.py:798]
{rank 0/64} MD step = 493300 step time: 00:00:00.146540 Performance: 67.398 ns/day 0.356 hours/ns 3.900 steps/s 2024-05-09 05:25:12,422 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 149.08 -2091.3 16340 -18431 -18431 -0.00037145 -0.00038097 0.00053336 7.9755e+05 2024-05-09 05:25:27,096 INFO [main.py:798]
{rank 0/64} MD step = 493400 step time: 00:00:00.145158 Performance: 67.401 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:25:34,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493400 98680 149.31 -2116.5 16364 -18481 -18481 -0.00045717 -0.00060956 0.00026192 7.9769e+05 2024-05-09 05:25:49,206 INFO [main.py:798]
{rank 0/64} MD step = 493500 step time: 00:00:00.148229 Performance: 67.403 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:25:55,510 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 149.68 -1906.2 16405 -18312 -18312 -0.00083814 -0.00076195 0.00057146 7.9789e+05 2024-05-09 05:26:09,853 INFO [main.py:798]
{rank 0/64} MD step = 493600 step time: 00:00:00.151344 Performance: 67.405 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:26:17,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493600 98720 151.02 -1778.8 16552 -18331 -18331 -0.0007048 -0.00046669 0.00026668 7.9801e+05 2024-05-09 05:26:31,602 INFO [main.py:798]
{rank 0/64} MD step = 493700 step time: 00:00:00.154372 Performance: 67.407 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:26:37,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493700 98740 150.96 -1743.3 16545 -18289 -18289 -0.00089529 -0.0007429 0.00053336 7.982e+05 2024-05-09 05:26:51,535 INFO [main.py:798]
{rank 0/64} MD step = 493800 step time: 00:00:00.159590 Performance: 67.411 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:26:55,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493800 98760 149.51 -1980.1 16387 -18367 -18367 -0.0007048 -0.00053336 0.00030478 7.9838e+05 2024-05-09 05:27:12,196 INFO [main.py:798]
{rank 0/64} MD step = 493900 step time: 00:00:00.149183 Performance: 67.413 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:27:17,650 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 149.32 -1970.8 16366 -18337 -18337 -0.00043812 -0.00093339 0.00055241 7.9852e+05 2024-05-09 05:27:31,389 INFO [main.py:798]
{rank 0/64} MD step = 494000 step time: 00:00:00.142074 Performance: 67.417 ns/day 0.356 hours/ns 3.901 steps/s 2024-05-09 05:27:37,149 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 152.12 -1652.7 16672 -18325 -18325 -0.00048574 -0.00087624 0.00053336 7.9872e+05 2024-05-09 05:27:51,169 INFO [main.py:798]
{rank 0/64} MD step = 494100 step time: 00:00:00.138621 Performance: 67.420 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:27:57,064 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 150.29 -1934.9 16472 -18407 -18407 -0.00087624 -0.00032383 0.00049527 7.989e+05 2024-05-09 05:28:11,026 INFO [main.py:798]
{rank 0/64} MD step = 494200 step time: 00:00:00.139159 Performance: 67.423 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:28:17,542 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 150.22 -1816.1 16464 -18280 -18280 -0.00099053 -0.00060956 0.00060003 7.9907e+05 2024-05-09 05:28:31,612 INFO [main.py:798]
{rank 0/64} MD step = 494300 step time: 00:00:00.139275 Performance: 67.425 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:28:36,544 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 148.99 -2020.9 16330 -18351 -18351 -0.00051908 -0.00067147 0.00060956 7.9922e+05 2024-05-09 05:28:52,337 INFO [main.py:798]
{rank 0/64} MD step = 494400 step time: 00:00:00.151273 Performance: 67.428 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:28:59,028 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 150.17 -1950.3 16459 -18410 -18410 -0.00053336 -0.00078576 0.00049527 7.9937e+05 2024-05-09 05:29:12,747 INFO [main.py:798]
{rank 0/64} MD step = 494500 step time: 00:00:00.147335 Performance: 67.431 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:29:19,409 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 149.62 -2200 16399 -18599 -18599 -0.00076195 -0.00055241 0.00045717 7.9952e+05 2024-05-09 05:29:33,386 INFO [main.py:798]
{rank 0/64} MD step = 494600 step time: 00:00:00.136668 Performance: 67.433 ns/day 0.356 hours/ns 3.902 steps/s 2024-05-09 05:29:40,568 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 150.76 -1919.5 16524 -18443 -18443 -0.00057146 -0.00047622 0.00029525 7.9969e+05 2024-05-09 05:29:54,704 INFO [main.py:798]
{rank 0/64} MD step = 494700 step time: 00:00:00.141609 Performance: 67.436 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:30:01,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494700 98940 150.86 -1839.1 16534 -18373 -18373 -0.00045717 -0.00041907 0.00053336 7.9986e+05 2024-05-09 05:30:15,445 INFO [main.py:798]
{rank 0/64} MD step = 494800 step time: 00:00:00.141314 Performance: 67.438 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:30:21,371 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 150.07 -1840.4 16448 -18289 -18289 -0.00032383 -0.00077147 0.0006667 8.0004e+05 2024-05-09 05:30:36,949 INFO [main.py:798]
{rank 0/64} MD step = 494900 step time: 00:00:00.148189 Performance: 67.441 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:30:43,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494900 98980 148.89 -2173 16318 -18491 -18491 -0.00068575 -0.000781 0.00041907 8.0019e+05 2024-05-09 05:30:57,253 INFO [main.py:798]
{rank 0/64} MD step = 495000 step time: 00:00:00.133068 Performance: 67.443 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:31:03,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495000 99000 146.97 -2458.5 16108 -18567 -18567 -0.00060003 -0.00068575 0.00053336 8.0033e+05 2024-05-09 05:31:18,464 INFO [main.py:798]
{rank 0/64} MD step = 495100 step time: 00:00:00.143894 Performance: 67.446 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:31:25,090 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 147.31 -2260.8 16146 -18407 -18407 -0.0006667 -0.00049527 0.00068575 8.005e+05 2024-05-09 05:31:38,956 INFO [main.py:798]
{rank 0/64} MD step = 495200 step time: 00:00:00.138712 Performance: 67.448 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:31:45,317 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 150.7 -1861.4 16517 -18379 -18379 -0.00057146 -0.00054765 0.00099053 8.0068e+05 2024-05-09 05:31:59,472 INFO [main.py:798]
{rank 0/64} MD step = 495300 step time: 00:00:00.139758 Performance: 67.451 ns/day 0.356 hours/ns 3.903 steps/s 2024-05-09 05:32:06,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495300 99060 149.92 -1831.7 16431 -18263 -18263 -0.00087624 -0.00068575 0.00038574 8.0088e+05 2024-05-09 05:32:21,459 INFO [main.py:798]
{rank 0/64} MD step = 495400 step time: 00:00:00.137522 Performance: 67.453 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:32:31,510 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 149.08 -1921.1 16340 -18261 -18261 -0.00060956 -0.00087624 0.0007048 8.0103e+05 2024-05-09 05:32:45,507 INFO [main.py:798]
{rank 0/64} MD step = 495500 step time: 00:00:00.136293 Performance: 67.454 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:32:50,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495500 99100 151.35 -1517.6 16588 -18105 -18105 -0.0006667 -0.00038097 0.00060956 8.0122e+05 2024-05-09 05:33:06,691 INFO [main.py:798]
{rank 0/64} MD step = 495600 step time: 00:00:00.141621 Performance: 67.456 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:33:15,300 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 151.13 -1903.2 16564 -18467 -18467 -0.00099053 -0.00053336 0.00049527 8.0138e+05 2024-05-09 05:33:29,653 INFO [main.py:798]
{rank 0/64} MD step = 495700 step time: 00:00:00.137887 Performance: 67.458 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:33:35,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495700 99140 150.52 -1664.7 16497 -18162 -18162 -0.00074766 -0.00034288 0.00045241 8.0156e+05 2024-05-09 05:33:49,806 INFO [main.py:798]
{rank 0/64} MD step = 495800 step time: 00:00:00.137623 Performance: 67.461 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:33:55,561 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 151.07 -1777.4 16558 -18335 -18335 -0.00086672 -0.00083814 0.00062861 8.0172e+05 2024-05-09 05:34:09,726 INFO [main.py:798]
{rank 0/64} MD step = 495900 step time: 00:00:00.140505 Performance: 67.464 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:34:16,881 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 149.29 -2280.3 16363 -18643 -18643 -0.00076195 -0.0004286 0.00030478 8.0184e+05 2024-05-09 05:34:31,413 INFO [main.py:798]
{rank 0/64} MD step = 496000 step time: 00:00:00.135399 Performance: 67.466 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:34:37,978 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 150.37 -1979.7 16481 -18460 -18460 -0.00053336 -0.00062861 0.00062861 8.0198e+05 2024-05-09 05:34:51,990 INFO [main.py:798]
{rank 0/64} MD step = 496100 step time: 00:00:00.133714 Performance: 67.468 ns/day 0.356 hours/ns 3.904 steps/s 2024-05-09 05:34:59,339 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 148.57 -2033.6 16284 -18317 -18317 -0.00038097 -0.00081909 0.00080005 8.0221e+05 2024-05-09 05:35:12,732 INFO [main.py:798]
{rank 0/64} MD step = 496200 step time: 00:00:00.132066 Performance: 67.471 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:35:20,709 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 147.71 -1989.4 16189 -18178 -18178 -0.00059051 -0.00083814 0.00028573 8.0237e+05 2024-05-09 05:35:35,215 INFO [main.py:798]
{rank 0/64} MD step = 496300 step time: 00:00:00.132971 Performance: 67.473 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:35:41,945 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 151.93 -1673.2 16651 -18325 -18325 -0.00063813 -0.00099053 0.00040955 8.0249e+05 2024-05-09 05:35:56,048 INFO [main.py:798]
{rank 0/64} MD step = 496400 step time: 00:00:00.144781 Performance: 67.475 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:36:02,694 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 149.33 -2003.7 16366 -18370 -18370 -0.00051431 -0.00047622 0.00076195 8.0265e+05 2024-05-09 05:36:16,487 INFO [main.py:798]
{rank 0/64} MD step = 496500 step time: 00:00:00.140456 Performance: 67.478 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:36:23,614 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 150.27 -1979.8 16470 -18450 -18450 -0.00024763 -0.00030478 0.00049527 8.028e+05 2024-05-09 05:36:37,819 INFO [main.py:798]
{rank 0/64} MD step = 496600 step time: 00:00:00.144645 Performance: 67.480 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:36:43,516 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 149.5 -1873.5 16385 -18259 -18259 -0.00072385 -0.00064766 0.00063813 8.0297e+05 2024-05-09 05:36:57,502 INFO [main.py:798]
{rank 0/64} MD step = 496700 step time: 00:00:00.143940 Performance: 67.483 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:37:05,000 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 152.38 -1513.8 16701 -18215 -18215 -0.00046669 -0.00087624 0.00060956 8.0309e+05 2024-05-09 05:37:19,160 INFO [main.py:798]
{rank 0/64} MD step = 496800 step time: 00:00:00.146177 Performance: 67.485 ns/day 0.356 hours/ns 3.905 steps/s 2024-05-09 05:37:25,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496800 99360 150.24 -1848.8 16466 -18315 -18315 -0.00085719 -0.00030478 0.00068575 8.0331e+05 2024-05-09 05:37:39,618 INFO [main.py:798]
{rank 0/64} MD step = 496900 step time: 00:00:00.141407 Performance: 67.488 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:37:46,420 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 149.74 -1814.3 16412 -18226 -18226 -0.00053336 -0.00072385 0.00080481 8.0342e+05 2024-05-09 05:38:00,645 INFO [main.py:798]
{rank 0/64} MD step = 497000 step time: 00:00:00.148585 Performance: 67.491 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:38:07,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497000 99400 150.68 -1633 16515 -18148 -18148 -0.00041907 -0.0010001 0.00041907 8.0359e+05 2024-05-09 05:38:21,097 INFO [main.py:798]
{rank 0/64} MD step = 497100 step time: 00:00:00.134930 Performance: 67.493 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:38:27,393 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 149.43 -1921.8 16378 -18300 -18300 -0.00091434 -0.00046669 0.00055241 8.0374e+05 2024-05-09 05:38:41,128 INFO [main.py:798]
{rank 0/64} MD step = 497200 step time: 00:00:00.134952 Performance: 67.496 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:38:47,202 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 148.77 -2188 16306 -18494 -18494 -0.00076195 -0.00045717 0.00043812 8.0388e+05 2024-05-09 05:39:01,686 INFO [main.py:798]
{rank 0/64} MD step = 497300 step time: 00:00:00.135450 Performance: 67.499 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:39:09,110 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 148.17 -2022.4 16240 -18262 -18262 -0.00053336 -0.00059051 0.00075242 8.0414e+05 2024-05-09 05:39:22,985 INFO [main.py:798]
{rank 0/64} MD step = 497400 step time: 00:00:00.137537 Performance: 67.501 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:39:29,503 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 150.36 -1898.9 16480 -18379 -18379 -0.00020954 -0.00096196 0.00091434 8.043e+05 2024-05-09 05:39:43,504 INFO [main.py:798]
{rank 0/64} MD step = 497500 step time: 00:00:00.140590 Performance: 67.504 ns/day 0.356 hours/ns 3.906 steps/s 2024-05-09 05:39:49,464 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 149.5 -2045.2 16386 -18431 -18431 -0.00048574 -0.00091434 0.00064766 8.0442e+05 2024-05-09 05:40:02,926 INFO [main.py:798]
{rank 0/64} MD step = 497600 step time: 00:00:00.146192 Performance: 67.507 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-09 05:40:08,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497600 99520 148.91 -2044.9 16321 -18366 -18366 -0.00072385 -0.0010667 0.00047622 8.0457e+05 2024-05-09 05:40:22,535 INFO [main.py:798]
{rank 0/64} MD step = 497700 step time: 00:00:00.134203 Performance: 67.510 ns/day 0.356 hours/ns 3.907 steps/s 2024-05-09 05:40:29,508 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 149.42 -1918.6 16377 -18296 -18296 -0.00045717 -0.00087624 0.00022858 8.0474e+05 2024-05-09 05:40:43,979 INFO [main.py:798]
{rank 0/64} MD step = 497800 step time: 00:00:00.133953 Performance: 67.513 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 05:40:51,086 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 148.39 -2240.1 16264 -18504 -18504 -0.00026668 -0.00049527 0.00060956 8.0488e+05 2024-05-09 05:41:05,102 INFO [main.py:798]
{rank 0/64} MD step = 497900 step time: 00:00:00.139015 Performance: 67.515 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 05:41:11,624 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 150.92 -1823 16541 -18364 -18364 -0.00043812 -0.00089529 0.00091434 8.0503e+05 2024-05-09 05:41:25,598 INFO [main.py:798]
{rank 0/64} MD step = 498000 step time: 00:00:00.142339 Performance: 67.518 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 05:41:31,679 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 150.06 -1818 16447 -18265 -18265 -0.00049527 -0.00091434 0.00050955 8.0521e+05 2024-05-09 05:41:45,568 INFO [main.py:798]
{rank 0/64} MD step = 498100 step time: 00:00:00.146193 Performance: 67.521 ns/day 0.355 hours/ns 3.907 steps/s 2024-05-09 05:41:51,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498100 99620 149.29 -1925.9 16362 -18288 -18288 -0.00068575 -0.00024763 0.00028573 8.0536e+05 2024-05-09 05:42:05,619 INFO [main.py:798]
{rank 0/64} MD step = 498200 step time: 00:00:00.140984 Performance: 67.524 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:42:11,863 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 149.19 -1918.4 16351 -18270 -18270 -0.00026668 -0.00080005 0.00090481 8.0549e+05 2024-05-09 05:42:27,985 INFO [main.py:798]
{rank 0/64} MD step = 498300 step time: 00:00:00.136857 Performance: 67.525 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:42:33,906 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 152.23 -1702.7 16684 -18387 -18387 -0.00076195 -0.00030478 0.00069528 8.057e+05 2024-05-09 05:42:47,554 INFO [main.py:798]
{rank 0/64} MD step = 498400 step time: 00:00:00.134691 Performance: 67.528 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:42:53,576 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 150.58 -1888.7 16504 -18393 -18393 -0.00055241 -0.00080957 0.00087624 8.0578e+05 2024-05-09 05:43:07,344 INFO [main.py:798]
{rank 0/64} MD step = 498500 step time: 00:00:00.134168 Performance: 67.532 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:43:14,192 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 150.33 -1754.3 16476 -18230 -18230 -0.00059051 -0.00086672 0.00053336 8.06e+05 2024-05-09 05:43:27,722 INFO [main.py:798]
{rank 0/64} MD step = 498600 step time: 00:00:00.136062 Performance: 67.534 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:43:34,463 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 150.96 -1863.5 16545 -18409 -18409 -0.00022858 -0.00076195 0.00036193 8.0619e+05 2024-05-09 05:43:48,085 INFO [main.py:798]
{rank 0/64} MD step = 498700 step time: 00:00:00.135526 Performance: 67.537 ns/day 0.355 hours/ns 3.908 steps/s 2024-05-09 05:43:52,436 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 148.82 -2036.5 16310 -18347 -18347 -0.00075242 -0.00080005 -0.00047622 8.0631e+05 2024-05-09 05:44:07,201 INFO [main.py:798]
{rank 0/64} MD step = 498800 step time: 00:00:00.132495 Performance: 67.540 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:44:13,783 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 150.32 -1962.4 16475 -18438 -18438 -0.00076195 -0.00043812 0.00040002 8.0645e+05 2024-05-09 05:44:27,489 INFO [main.py:798]
{rank 0/64} MD step = 498900 step time: 00:00:00.135605 Performance: 67.543 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:44:34,517 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 149.99 -2110.7 16439 -18550 -18550 -0.00088576 -0.00076195 0.00057146 8.066e+05 2024-05-09 05:44:48,366 INFO [main.py:798]
{rank 0/64} MD step = 499000 step time: 00:00:00.138795 Performance: 67.546 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:44:54,583 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 149.77 -2116.5 16415 -18532 -18532 -0.00057146 -0.00022858 0.00038097 8.0677e+05 2024-05-09 05:45:08,467 INFO [main.py:798]
{rank 0/64} MD step = 499100 step time: 00:00:00.143680 Performance: 67.549 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:45:12,716 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 147.97 -2318.8 16217 -18536 -18536 -0.00068575 -0.00093339 0.00032383 8.0697e+05 2024-05-09 05:45:28,804 INFO [main.py:798]
{rank 0/64} MD step = 499200 step time: 00:00:00.135157 Performance: 67.551 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:45:37,196 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 148.51 -2252.7 16277 -18530 -18530 -0.00049527 -0.00072385 0.00045717 8.0706e+05 2024-05-09 05:45:50,970 INFO [main.py:798]
{rank 0/64} MD step = 499300 step time: 00:00:00.136772 Performance: 67.553 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:45:55,523 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 148.89 -2197.2 16318 -18516 -18516 -0.00049527 -0.00045717 0.0010191 8.0727e+05 2024-05-09 05:46:11,829 INFO [main.py:798]
{rank 0/64} MD step = 499400 step time: 00:00:00.142246 Performance: 67.556 ns/day 0.355 hours/ns 3.909 steps/s 2024-05-09 05:46:18,841 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 151.83 -1961.8 16640 -18602 -18602 -0.00087624 -0.00036193 0.00049527 8.0745e+05 2024-05-09 05:46:32,874 INFO [main.py:798]
{rank 0/64} MD step = 499500 step time: 00:00:00.142240 Performance: 67.558 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:46:40,356 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 151.97 -1858.1 16656 -18514 -18514 -0.00034288 -0.00068575 0.00028573 8.0759e+05 2024-05-09 05:46:54,146 INFO [main.py:798]
{rank 0/64} MD step = 499600 step time: 00:00:00.132191 Performance: 67.560 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:47:01,486 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 149.24 -2095.6 16357 -18453 -18453 -0.00049527 -0.00034288 0.00083814 8.0776e+05 2024-05-09 05:47:14,997 INFO [main.py:798]
{rank 0/64} MD step = 499700 step time: 00:00:00.134337 Performance: 67.563 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:47:20,897 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 148.13 -2280.5 16236 -18516 -18516 -0.00091434 -0.00080005 0.00081909 8.0787e+05 2024-05-09 05:47:34,444 INFO [main.py:798]
{rank 0/64} MD step = 499800 step time: 00:00:00.134743 Performance: 67.566 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:47:45,193 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 150.7 -2052.2 16517 -18569 -18569 -0.00085719 -0.00043812 0.00053336 8.0806e+05 2024-05-09 05:47:58,668 INFO [main.py:798]
{rank 0/64} MD step = 499900 step time: 00:00:00.138734 Performance: 67.567 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:48:04,732 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 149.85 -1995.9 16424 -18420 -18420 -0.00058099 -0.00091434 0.00057146 8.0819e+05 2024-05-09 05:48:18,291 INFO [main.py:798]
{rank 0/64} MD step = 500000 step time: 00:00:00.133757 Performance: 67.570 ns/day 0.355 hours/ns 3.910 steps/s 2024-05-09 05:48:24,570 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+05 148.29 -2307.7 16253 -18561 -18561 -0.0010286 -0.00085719 0.00087624 8.0835e+05 2024-05-09 05:48:24,668 INFO [main.py:1449]
{rank 0/64} Elapsed time: 1 days 11:31:39.316095 Setup time: 00:00:25.299088 MD loop time: 1 days 11:31:14.017007