2023-02-16 01:45:07,831 INFO [configure_runtime.py:131] {rank 0/100} __ __ ____ __ _______ / / / /_ __/ / /__ _________ _____ ______ / |/ / __ \ / /_/ / / / / / / _ \/ ___/ __ `/ __ `/ ___/ / /|_/ / / / / / __ / /_/ / / / __/ / / /_/ / /_/ (__ ) / / / / /_/ / /_/ /_/\__, /_/_/\___/_/ \__,_/\__,_/____/ /_/ /_/_____/ /____/ Version 1.0.8 Please read and cite accordingly the references below: [1] Milano, G.; Kawakatsu, T. Hybrid particle-field molecular dynamics simulations for dense polymer systems. J. Chem. Phys. 2009, 130, 214106. [2] Bore, S. L.; Cascella, M. Hamiltonian and alias-free hybrid particle–field molecular dynamics. J. Chem. Phys. 2020, 153, 094106. [3] Kolli, H. B.; De Nicola, A.; Bore, S. L.; Schäfer, K.; Diezemann, G.; Gauss, J.; Kawakatsu, T.;Lu, Z.-Y.; Zhu, Y.-L.; Milano, G.; Cascella, M. Hybrid Particle-Field Molecular DynamicsSimulations of Charged Amphiphiles in an Aqueous Environment. J. Chem. Theory Comput. 2018, 14, 4928–4937. [4] Bore, S. L.; Milano, G.; Cascella, M. Hybrid Particle-Field Model for Conformational Dynamics of Peptide Chains. J. Chem. Theory Comput. 2018, 14, 1120–1130. [5] Periole, X.; Cavalli, M.; Marrink, S. J.; Ceruso, M. A. Combining an elastic network with a coarse-grained molecular force field: structure, dynamics, and intermolecular recognition. J. Chem. Theory Comput. 2009, 5.9, 2531-2543. 2023-02-16 01:45:07,832 INFO [configure_runtime.py:155] {rank 0/100} Attempting to parse config file out_tempseries_test/a=6.16/T=40/config.tomli as .toml 2023-02-16 01:45:07,851 INFO [configure_runtime.py:163] {rank 0/100} Successfully parsed out_tempseries_test/a=6.16/T=40/config.tomli as .toml file 2023-02-16 01:45:07,851 INFO [configure_runtime.py:167] {rank 0/100} Config: /cluster/work/users/samiransen23/560009/out_tempseries_test/a=6.16/T=40/config.tomli -------------------------------------------------- n_steps: 500000 time_step: 0.1 mesh_size: [200, 200, 200] sigma: 0 kappa: 1000000 box_size: [8.008, 8.008, 8.008] n_print: 100 tau: 0.01 start_temperature: 40 target_temperature: 40 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/users/samiransen23/560009/out_tempseries_test/a=6.16/T=40/config.tomli name: monoatomic fcc lattice tags: ['mono', 'crystal', 'lattice'] n_particles: 8788 max_molecule_size: 1 n_flush: 4 thermostat_work: 0.0 initial_energy: None cancel_com_momentum: False coulombtype: None convergence_type: None pol_mixing: None dielectric_const: None conv_crit: None dielectric_type: [] squaregradient: False rho0: None a: None pressure: False barostat: None barostat_type: None tau_p: None n_b: None m: [] filter: lj command_line_full: /cluster/work/users/samiransen23/560009/hymd/__main__.py out_tempseries_test/a=6.16/T=40/config.tomli out_tempseries_test/a=6.16/T=40/input.h5 --logfile=log.txt --verbose 2 --seed 5 --velocity-output --destdir out_tempseries_test/a=6.16/T=40 target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: W W: 1.0 K_coupl: 2023-02-16 01:45:08,031 WARNING [input_parser.py:1220] {rank 0/100} config.n_b not specified.Defaulting to 1 2023-02-16 01:45:08,046 INFO [thermostat.py:37] {rank 0/100} Initialized 8788 velocities, target kinetic energy: 4384.049576087999, actual kinetic energy generated: 4384.04967440486 2023-02-16 01:45:08,583 INFO [main.py:231]
{rank 0/100} pfft-python processor mesh: (10, 10) 2023-02-16 01:45:09,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 40 -38177 4384 -42561 -42561 0.00047622 -8.0957e-05 0.00040955 -4.286e-05 2023-02-16 01:45:09,831 INFO [main.py:609]
{rank 0/100} MD step = 1 2023-02-16 01:45:11,928 INFO [main.py:643]
{rank 0/100} MD step = 100 step time: 00:00:00.020774 Performance: 416.211 ns/day 0.058 hours/ns 48.173 steps/s 2023-02-16 01:45:12,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100 10 39.502 -35549 4329.4 -39878 -39878 -0.00022858 -0.00020954 0.00029764 3.0569 2023-02-16 01:45:14,539 INFO [main.py:643]
{rank 0/100} MD step = 200 step time: 00:00:00.020754 Performance: 368.852 ns/day 0.065 hours/ns 42.691 steps/s 2023-02-16 01:45:15,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200 20 40.287 -37212 4415.5 -41627 -41627 0.00026668 0.0021335 -0.0014953 9.5119 2023-02-16 01:45:17,271 INFO [main.py:643]
{rank 0/100} MD step = 300 step time: 00:00:00.020625 Performance: 349.542 ns/day 0.069 hours/ns 40.456 steps/s 2023-02-16 01:45:17,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300 30 40.125 -37694 4397.7 -42092 -42092 0.00060956 0.0038288 -0.00020954 48.148 2023-02-16 01:45:19,949 INFO [main.py:643]
{rank 0/100} MD step = 400 step time: 00:00:00.020533 Performance: 342.413 ns/day 0.070 hours/ns 39.631 steps/s 2023-02-16 01:45:20,391 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400 40 39.549 -38219 4334.6 -42553 -42553 0.0021335 0.0046479 0.00043336 64.556 2023-02-16 01:45:22,610 INFO [main.py:643]
{rank 0/100} MD step = 500 step time: 00:00:00.020531 Performance: 338.732 ns/day 0.071 hours/ns 39.205 steps/s 2023-02-16 01:45:23,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 500 50 39.66 -38453 4346.8 -42800 -42800 0.0025906 0.0048765 0.00061908 116.05 2023-02-16 01:45:25,301 INFO [main.py:643]
{rank 0/100} MD step = 600 step time: 00:00:00.020472 Performance: 335.668 ns/day 0.071 hours/ns 38.850 steps/s 2023-02-16 01:45:25,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 600 60 39.76 -38691 4357.7 -43049 -43049 0.0028954 0.0046479 -0.00045717 145.06 2023-02-16 01:45:27,919 INFO [main.py:643]
{rank 0/100} MD step = 700 step time: 00:00:00.020611 Performance: 334.842 ns/day 0.072 hours/ns 38.755 steps/s 2023-02-16 01:45:28,286 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 700 70 40.053 -38881 4389.8 -43271 -43271 0.0042669 0.0047812 3.3335e-05 189.21 2023-02-16 01:45:30,560 INFO [main.py:643]
{rank 0/100} MD step = 800 step time: 00:00:00.023056 Performance: 333.858 ns/day 0.072 hours/ns 38.641 steps/s 2023-02-16 01:45:31,145 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 800 80 40.087 -39023 4393.5 -43417 -43417 0.0047241 0.0049146 -0.00025716 216.74 2023-02-16 01:45:33,199 INFO [main.py:643]
{rank 0/100} MD step = 900 step time: 00:00:00.020827 Performance: 333.127 ns/day 0.072 hours/ns 38.556 steps/s 2023-02-16 01:45:33,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 900 90 40.46 -39134 4434.4 -43569 -43569 0.0051431 0.0057527 -5.7146e-05 261.89 2023-02-16 01:45:35,823 INFO [main.py:643]
{rank 0/100} MD step = 1000 step time: 00:00:00.020496 Performance: 332.749 ns/day 0.072 hours/ns 38.513 steps/s 2023-02-16 01:45:36,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1000 100 39.77 -39285 4358.9 -43644 -43644 0.0063908 0.0058956 0.00024763 319.9 2023-02-16 01:45:38,427 INFO [main.py:643]
{rank 0/100} MD step = 1100 step time: 00:00:00.021739 Performance: 332.657 ns/day 0.072 hours/ns 38.502 steps/s 2023-02-16 01:45:38,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1100 110 40.261 -39255 4412.7 -43668 -43668 0.0053527 0.0060099 0.0016144 360.47 2023-02-16 01:45:40,980 INFO [main.py:643]
{rank 0/100} MD step = 1200 step time: 00:00:00.020425 Performance: 333.132 ns/day 0.072 hours/ns 38.557 steps/s 2023-02-16 01:45:41,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1200 120 40.097 -39187 4394.7 -43582 -43582 0.0045336 0.005467 0.0016477 421.31 2023-02-16 01:45:43,615 INFO [main.py:643]
{rank 0/100} MD step = 1300 step time: 00:00:00.020615 Performance: 332.721 ns/day 0.072 hours/ns 38.509 steps/s 2023-02-16 01:45:44,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1300 130 40.414 -39226 4429.4 -43656 -43656 0.0054384 0.0065718 0.0017049 464.22 2023-02-16 01:45:46,219 INFO [main.py:643]
{rank 0/100} MD step = 1400 step time: 00:00:00.020496 Performance: 332.659 ns/day 0.072 hours/ns 38.502 steps/s 2023-02-16 01:45:46,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1400 140 39.838 -39319 4366.3 -43685 -43685 0.0049908 0.0074671 0.00068575 502.81 2023-02-16 01:45:48,822 INFO [main.py:643]
{rank 0/100} MD step = 1500 step time: 00:00:00.020439 Performance: 332.605 ns/day 0.072 hours/ns 38.496 steps/s 2023-02-16 01:45:49,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1500 150 40.647 -39202 4455 -43657 -43657 0.0043002 0.0071909 0.00033335 554.88 2023-02-16 01:45:51,442 INFO [main.py:643]
{rank 0/100} MD step = 1600 step time: 00:00:00.020458 Performance: 332.427 ns/day 0.072 hours/ns 38.475 steps/s 2023-02-16 01:45:51,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1600 160 39.942 -39247 4377.7 -43624 -43624 0.0034478 0.0076766 0.00019049 602.35 2023-02-16 01:45:54,091 INFO [main.py:643]
{rank 0/100} MD step = 1700 step time: 00:00:00.020512 Performance: 332.055 ns/day 0.072 hours/ns 38.432 steps/s 2023-02-16 01:45:56,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1700 170 39.682 -39260 4349.2 -43609 -43609 0.0021716 0.0074766 0 641.44 2023-02-16 01:45:58,483 INFO [main.py:643]
{rank 0/100} MD step = 1800 step time: 00:00:00.020574 Performance: 319.834 ns/day 0.075 hours/ns 37.018 steps/s 2023-02-16 01:45:58,885 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1800 180 39.878 -39371 4370.7 -43742 -43742 0 0.0078671 -0.00021906 688.3 2023-02-16 01:46:01,052 INFO [main.py:643]
{rank 0/100} MD step = 1900 step time: 00:00:00.020646 Performance: 320.660 ns/day 0.075 hours/ns 37.113 steps/s 2023-02-16 01:46:01,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1900 190 39.915 -39287 4374.7 -43662 -43662 -0.0018763 0.0079624 -0.0011048 735.33 2023-02-16 01:46:03,633 INFO [main.py:643]
{rank 0/100} MD step = 2000 step time: 00:00:00.020498 Performance: 321.336 ns/day 0.075 hours/ns 37.192 steps/s 2023-02-16 01:46:04,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2000 200 39.65 -39315 4345.7 -43661 -43661 -0.0029144 0.0087243 -0.00083814 779.25 2023-02-16 01:46:06,787 INFO [main.py:643]
{rank 0/100} MD step = 2100 step time: 00:00:00.020623 Performance: 318.714 ns/day 0.075 hours/ns 36.888 steps/s 2023-02-16 01:46:07,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2100 210 40.703 -39200 4461.2 -43661 -43661 -0.0053527 0.0083719 -0.0012239 805.89 2023-02-16 01:46:09,392 INFO [main.py:643]
{rank 0/100} MD step = 2200 step time: 00:00:00.020522 Performance: 319.279 ns/day 0.075 hours/ns 36.954 steps/s 2023-02-16 01:46:09,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2200 220 40.52 -39139 4441 -43580 -43580 -0.0069052 0.0090862 -0.00057146 875.32 2023-02-16 01:46:11,983 INFO [main.py:643]
{rank 0/100} MD step = 2300 step time: 00:00:00.020423 Performance: 319.872 ns/day 0.075 hours/ns 37.022 steps/s 2023-02-16 01:46:12,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2300 230 40.446 -39344 4432.9 -43777 -43777 -0.0079052 0.009791 -0.0013715 904.09 2023-02-16 01:46:14,595 INFO [main.py:643]
{rank 0/100} MD step = 2400 step time: 00:00:00.020514 Performance: 320.314 ns/day 0.075 hours/ns 37.073 steps/s 2023-02-16 01:46:15,144 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2400 240 39.573 -39352 4337.2 -43689 -43689 -0.0093339 0.0094577 -0.0011858 951.13 2023-02-16 01:46:17,229 INFO [main.py:643]
{rank 0/100} MD step = 2500 step time: 00:00:00.020521 Performance: 320.612 ns/day 0.075 hours/ns 37.108 steps/s 2023-02-16 01:46:17,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2500 250 40.029 -39317 4387.3 -43705 -43705 -0.010324 0.010515 -0.0013715 1010.3 2023-02-16 01:46:19,820 INFO [main.py:643]
{rank 0/100} MD step = 2600 step time: 00:00:00.020421 Performance: 321.090 ns/day 0.075 hours/ns 37.163 steps/s 2023-02-16 01:46:20,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2600 260 39.616 -39341 4342 -43683 -43683 -0.011563 0.010763 -0.00095243 1065.9 2023-02-16 01:46:22,420 INFO [main.py:643]
{rank 0/100} MD step = 2700 step time: 00:00:00.020458 Performance: 321.491 ns/day 0.075 hours/ns 37.210 steps/s 2023-02-16 01:46:22,894 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2700 270 40.1 -39303 4395 -43698 -43698 -0.012382 0.012763 -0.00018572 1121.1 2023-02-16 01:46:24,990 INFO [main.py:643]
{rank 0/100} MD step = 2800 step time: 00:00:00.020473 Performance: 321.995 ns/day 0.075 hours/ns 37.268 steps/s 2023-02-16 01:46:25,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2800 280 40.263 -39282 4412.8 -43695 -43695 -0.013282 0.012563 -0.00030478 1181 2023-02-16 01:46:27,637 INFO [main.py:643]
{rank 0/100} MD step = 2900 step time: 00:00:00.020445 Performance: 322.145 ns/day 0.075 hours/ns 37.285 steps/s 2023-02-16 01:46:28,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2900 290 39.84 -39366 4366.6 -43733 -43733 -0.014553 0.012953 -0.00012382 1224.6 2023-02-16 01:46:30,241 INFO [main.py:643]
{rank 0/100} MD step = 3000 step time: 00:00:00.020445 Performance: 322.458 ns/day 0.074 hours/ns 37.321 steps/s 2023-02-16 01:46:30,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3000 300 40.315 -39203 4418.5 -43622 -43622 -0.015468 0.01322 0.00017144 1266.1 2023-02-16 01:46:32,864 INFO [main.py:643]
{rank 0/100} MD step = 3100 step time: 00:00:00.020586 Performance: 322.674 ns/day 0.074 hours/ns 37.347 steps/s 2023-02-16 01:46:33,516 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3100 310 39.966 -39289 4380.4 -43670 -43670 -0.016953 0.01482 -0.00023335 1327.9 2023-02-16 01:46:35,558 INFO [main.py:643]
{rank 0/100} MD step = 3200 step time: 00:00:00.020484 Performance: 322.615 ns/day 0.074 hours/ns 37.340 steps/s 2023-02-16 01:46:36,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3200 320 39.625 -39349 4343 -43692 -43692 -0.018544 0.015448 -0.00083814 1372.5 2023-02-16 01:46:38,175 INFO [main.py:643]
{rank 0/100} MD step = 3300 step time: 00:00:00.021518 Performance: 322.837 ns/day 0.074 hours/ns 37.365 steps/s 2023-02-16 01:46:38,730 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3300 330 40.091 -39253 4394.1 -43647 -43647 -0.020563 0.016801 -0.0016572 1422.5 2023-02-16 01:46:40,757 INFO [main.py:643]
{rank 0/100} MD step = 3400 step time: 00:00:00.020469 Performance: 323.171 ns/day 0.074 hours/ns 37.404 steps/s 2023-02-16 01:46:41,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3400 340 39.787 -39301 4360.7 -43661 -43661 -0.023239 0.017753 -0.001762 1485 2023-02-16 01:46:43,335 INFO [main.py:643]
{rank 0/100} MD step = 3500 step time: 00:00:00.020575 Performance: 323.501 ns/day 0.074 hours/ns 37.442 steps/s 2023-02-16 01:46:43,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3500 350 40.521 -39241 4441.1 -43682 -43682 -0.024087 0.017234 -0.001943 1539.5 2023-02-16 01:46:45,956 INFO [main.py:643]
{rank 0/100} MD step = 3600 step time: 00:00:00.020362 Performance: 323.669 ns/day 0.074 hours/ns 37.462 steps/s 2023-02-16 01:46:46,417 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3600 360 40.444 -39355 4432.7 -43787 -43787 -0.02544 0.017391 -0.0013334 1576.8 2023-02-16 01:46:48,597 INFO [main.py:643]
{rank 0/100} MD step = 3700 step time: 00:00:00.020427 Performance: 323.761 ns/day 0.074 hours/ns 37.472 steps/s 2023-02-16 01:46:49,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3700 370 39.937 -39242 4377.2 -43619 -43619 -0.025163 0.017439 -0.00080957 1650.2 2023-02-16 01:46:51,225 INFO [main.py:643]
{rank 0/100} MD step = 3800 step time: 00:00:00.020540 Performance: 323.892 ns/day 0.074 hours/ns 37.488 steps/s 2023-02-16 01:46:51,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3800 380 40.364 -39281 4424 -43705 -43705 -0.025516 0.017753 -0.00081909 1683 2023-02-16 01:46:53,824 INFO [main.py:643]
{rank 0/100} MD step = 3900 step time: 00:00:00.020380 Performance: 324.106 ns/day 0.074 hours/ns 37.512 steps/s 2023-02-16 01:46:54,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3900 390 39.953 -39386 4378.9 -43765 -43765 -0.027492 0.018744 -0.0013048 1730.2 2023-02-16 01:46:56,351 INFO [main.py:643]
{rank 0/100} MD step = 4000 step time: 00:00:00.020592 Performance: 324.527 ns/day 0.074 hours/ns 37.561 steps/s 2023-02-16 01:46:56,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4000 400 39.863 -39399 4369.1 -43768 -43768 -0.026897 0.019468 -0.001162 1774 2023-02-16 01:46:58,951 INFO [main.py:643]
{rank 0/100} MD step = 4100 step time: 00:00:00.020657 Performance: 324.713 ns/day 0.074 hours/ns 37.583 steps/s 2023-02-16 01:46:59,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4100 410 39.906 -39310 4373.8 -43684 -43684 -0.026554 0.019544 -0.0019049 1841.5 2023-02-16 01:47:01,557 INFO [main.py:643]
{rank 0/100} MD step = 4200 step time: 00:00:00.020549 Performance: 324.872 ns/day 0.074 hours/ns 37.601 steps/s 2023-02-16 01:47:02,004 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4200 420 39.837 -39286 4366.1 -43652 -43652 -0.026878 0.020111 -0.0018477 1880.2 2023-02-16 01:47:04,189 INFO [main.py:643]
{rank 0/100} MD step = 4300 step time: 00:00:00.020586 Performance: 324.951 ns/day 0.074 hours/ns 37.610 steps/s 2023-02-16 01:47:04,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4300 430 39.714 -39390 4352.7 -43743 -43743 -0.028964 0.020739 -0.0018096 1925.4 2023-02-16 01:47:06,859 INFO [main.py:643]
{rank 0/100} MD step = 4400 step time: 00:00:00.020528 Performance: 324.921 ns/day 0.074 hours/ns 37.607 steps/s 2023-02-16 01:47:07,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4400 440 39.641 -39273 4344.7 -43618 -43618 -0.029144 0.02002 -0.0023239 1977.7 2023-02-16 01:47:09,477 INFO [main.py:643]
{rank 0/100} MD step = 4500 step time: 00:00:00.020555 Performance: 325.032 ns/day 0.074 hours/ns 37.619 steps/s 2023-02-16 01:47:09,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4500 450 40.491 -39307 4437.8 -43745 -43745 -0.031383 0.020515 -0.002743 2021.2 2023-02-16 01:47:12,197 INFO [main.py:643]
{rank 0/100} MD step = 4600 step time: 00:00:00.020504 Performance: 324.867 ns/day 0.074 hours/ns 37.600 steps/s 2023-02-16 01:47:12,710 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4600 460 39.518 -39378 4331.2 -43709 -43709 -0.032969 0.020411 -0.0020763 2061.6 2023-02-16 01:47:14,816 INFO [main.py:643]
{rank 0/100} MD step = 4700 step time: 00:00:00.020607 Performance: 324.972 ns/day 0.074 hours/ns 37.613 steps/s 2023-02-16 01:47:15,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4700 470 39.979 -39384 4381.7 -43765 -43765 -0.034078 0.020973 -0.0032954 2120.7 2023-02-16 01:47:17,415 INFO [main.py:643]
{rank 0/100} MD step = 4800 step time: 00:00:00.020464 Performance: 325.124 ns/day 0.074 hours/ns 37.630 steps/s 2023-02-16 01:47:17,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4800 480 39.657 -39359 4346.5 -43705 -43705 -0.033873 0.021735 -0.0037907 2166.5 2023-02-16 01:47:20,056 INFO [main.py:643]
{rank 0/100} MD step = 4900 step time: 00:00:00.020468 Performance: 325.165 ns/day 0.074 hours/ns 37.635 steps/s 2023-02-16 01:47:20,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4900 490 39.961 -39344 4379.8 -43724 -43724 -0.035545 0.023163 -0.0032954 2230.1 2023-02-16 01:47:22,635 INFO [main.py:643]
{rank 0/100} MD step = 5000 step time: 00:00:00.020524 Performance: 325.357 ns/day 0.074 hours/ns 37.657 steps/s 2023-02-16 01:47:23,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5000 500 40.512 -39360 4440.1 -43800 -43800 -0.037393 0.023173 -0.003324 2274.1 2023-02-16 01:47:25,267 INFO [main.py:643]
{rank 0/100} MD step = 5100 step time: 00:00:00.020396 Performance: 325.414 ns/day 0.074 hours/ns 37.664 steps/s 2023-02-16 01:47:25,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5100 510 39.602 -39332 4340.4 -43673 -43673 -0.038307 0.024297 -0.003324 2325.2 2023-02-16 01:47:27,894 INFO [main.py:643]
{rank 0/100} MD step = 5200 step time: 00:00:00.020589 Performance: 325.480 ns/day 0.074 hours/ns 37.671 steps/s 2023-02-16 01:47:28,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5200 520 39.964 -39385 4380.1 -43765 -43765 -0.038459 0.02483 -0.0028383 2365.7 2023-02-16 01:47:30,514 INFO [main.py:643]
{rank 0/100} MD step = 5300 step time: 00:00:00.020511 Performance: 325.560 ns/day 0.074 hours/ns 37.681 steps/s 2023-02-16 01:47:31,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5300 530 40.181 -39351 4403.9 -43755 -43755 -0.040888 0.025201 -0.0023144 2418.7 2023-02-16 01:47:33,113 INFO [main.py:643]
{rank 0/100} MD step = 5400 step time: 00:00:00.020466 Performance: 325.683 ns/day 0.074 hours/ns 37.695 steps/s 2023-02-16 01:47:33,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5400 540 39.897 -39349 4372.7 -43722 -43722 -0.041669 0.025868 -0.0018763 2450.5 2023-02-16 01:47:35,711 INFO [main.py:643]
{rank 0/100} MD step = 5500 step time: 00:00:00.020460 Performance: 325.807 ns/day 0.074 hours/ns 37.709 steps/s 2023-02-16 01:47:36,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5500 550 40.36 -39305 4423.5 -43728 -43728 -0.042905 0.026297 -0.0028192 2499.8 2023-02-16 01:47:38,316 INFO [main.py:643]
{rank 0/100} MD step = 5600 step time: 00:00:00.021911 Performance: 325.911 ns/day 0.074 hours/ns 37.721 steps/s 2023-02-16 01:47:38,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5600 560 40.075 -39277 4392.3 -43670 -43670 -0.041755 0.026211 -0.0031907 2542.7 2023-02-16 01:47:40,920 INFO [main.py:643]
{rank 0/100} MD step = 5700 step time: 00:00:00.020500 Performance: 326.011 ns/day 0.074 hours/ns 37.733 steps/s 2023-02-16 01:47:41,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5700 570 40.004 -39342 4384.5 -43726 -43726 -0.042926 0.02623 -0.0027049 2586.5 2023-02-16 01:47:43,547 INFO [main.py:643]
{rank 0/100} MD step = 5800 step time: 00:00:00.020458 Performance: 326.060 ns/day 0.074 hours/ns 37.738 steps/s 2023-02-16 01:47:43,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5800 580 40.326 -39272 4419.7 -43692 -43692 -0.043874 0.026744 -0.0030954 2643.3 2023-02-16 01:47:46,140 INFO [main.py:643]
{rank 0/100} MD step = 5900 step time: 00:00:00.020483 Performance: 326.178 ns/day 0.074 hours/ns 37.752 steps/s 2023-02-16 01:47:46,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5900 590 40.084 -39404 4393.3 -43797 -43797 -0.044002 0.026173 -0.0034764 2694.5 2023-02-16 01:47:48,766 INFO [main.py:643]
{rank 0/100} MD step = 6000 step time: 00:00:00.020332 Performance: 326.225 ns/day 0.074 hours/ns 37.758 steps/s 2023-02-16 01:47:49,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6000 600 39.712 -39356 4352.5 -43708 -43708 -0.043641 0.026944 -0.0043241 2722.8 2023-02-16 01:47:51,350 INFO [main.py:643]
{rank 0/100} MD step = 6100 step time: 00:00:00.020540 Performance: 326.356 ns/day 0.074 hours/ns 37.773 steps/s 2023-02-16 01:47:51,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6100 610 40.577 -39271 4447.3 -43718 -43718 -0.04366 0.027316 -0.0041145 2776.5 2023-02-16 01:47:53,959 INFO [main.py:643]
{rank 0/100} MD step = 6200 step time: 00:00:00.020574 Performance: 326.433 ns/day 0.074 hours/ns 37.782 steps/s 2023-02-16 01:47:54,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6200 620 40.321 -39332 4419.3 -43752 -43752 -0.043021 0.02723 -0.0050289 2830.4 2023-02-16 01:47:56,561 INFO [main.py:643]
{rank 0/100} MD step = 6300 step time: 00:00:00.020643 Performance: 326.521 ns/day 0.074 hours/ns 37.792 steps/s 2023-02-16 01:47:57,052 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6300 630 40.897 -39291 4482.4 -43774 -43774 -0.043052 0.027449 -0.004686 2873.9 2023-02-16 01:47:59,200 INFO [main.py:643]
{rank 0/100} MD step = 6400 step time: 00:00:00.020510 Performance: 326.534 ns/day 0.073 hours/ns 37.793 steps/s 2023-02-16 01:47:59,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6400 640 39.861 -39561 4368.8 -43930 -43930 -0.042307 0.027697 -0.005105 2933.2 2023-02-16 01:48:01,829 INFO [main.py:643]
{rank 0/100} MD step = 6500 step time: 00:00:00.020484 Performance: 326.565 ns/day 0.073 hours/ns 37.797 steps/s 2023-02-16 01:48:02,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6500 650 39.979 -39392 4381.7 -43774 -43774 -0.042326 0.028192 -0.004736 2981.7 2023-02-16 01:48:04,403 INFO [main.py:643]
{rank 0/100} MD step = 6600 step time: 00:00:00.020451 Performance: 326.701 ns/day 0.073 hours/ns 37.813 steps/s 2023-02-16 01:48:04,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6600 660 40.008 -39536 4385 -43921 -43921 -0.042745 0.027935 -0.0051527 3032.2 2023-02-16 01:48:07,032 INFO [main.py:643]
{rank 0/100} MD step = 6700 step time: 00:00:00.020631 Performance: 326.729 ns/day 0.073 hours/ns 37.816 steps/s 2023-02-16 01:48:07,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6700 670 40.317 -39378 4418.8 -43797 -43797 -0.043279 0.027983 -0.0048955 3075.2 2023-02-16 01:48:09,691 INFO [main.py:643]
{rank 0/100} MD step = 6800 step time: 00:00:00.020510 Performance: 326.702 ns/day 0.073 hours/ns 37.813 steps/s 2023-02-16 01:48:10,302 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6800 680 40.08 -39503 4392.8 -43896 -43896 -0.043745 0.026954 -0.0044955 3134.3 2023-02-16 01:48:12,336 INFO [main.py:643]
{rank 0/100} MD step = 6900 step time: 00:00:00.020458 Performance: 326.702 ns/day 0.073 hours/ns 37.813 steps/s 2023-02-16 01:48:12,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6900 690 39.75 -39409 4356.6 -43766 -43766 -0.043012 0.027335 -0.0038288 3184.9 2023-02-16 01:48:14,976 INFO [main.py:643]
{rank 0/100} MD step = 7000 step time: 00:00:00.020462 Performance: 326.709 ns/day 0.073 hours/ns 37.814 steps/s 2023-02-16 01:48:15,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7000 700 39.741 -39433 4355.6 -43789 -43789 -0.043393 0.027021 -0.0029144 3232 2023-02-16 01:48:17,615 INFO [main.py:643]
{rank 0/100} MD step = 7100 step time: 00:00:00.020618 Performance: 326.719 ns/day 0.073 hours/ns 37.815 steps/s 2023-02-16 01:48:18,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7100 710 39.869 -39454 4369.7 -43823 -43823 -0.042117 0.027087 -0.0025811 3278.3 2023-02-16 01:48:20,260 INFO [main.py:643]
{rank 0/100} MD step = 7200 step time: 00:00:00.020434 Performance: 326.718 ns/day 0.073 hours/ns 37.815 steps/s 2023-02-16 01:48:23,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7200 720 39.684 -39465 4349.4 -43815 -43815 -0.042212 0.027659 -0.002543 3313.9 2023-02-16 01:48:25,975 INFO [main.py:643]
{rank 0/100} MD step = 7300 step time: 00:00:00.020542 Performance: 321.605 ns/day 0.075 hours/ns 37.223 steps/s 2023-02-16 01:48:28,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7300 730 39.828 -39498 4365.2 -43863 -43863 -0.043002 0.027744 -0.0031621 3365.2 2023-02-16 01:48:30,264 INFO [main.py:643]
{rank 0/100} MD step = 7400 step time: 00:00:00.020472 Performance: 319.032 ns/day 0.075 hours/ns 36.925 steps/s 2023-02-16 01:48:30,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7400 740 40.069 -39432 4391.6 -43824 -43824 -0.043602 0.028442 -0.0027049 3409.4 2023-02-16 01:48:32,862 INFO [main.py:643]
{rank 0/100} MD step = 7500 step time: 00:00:00.020363 Performance: 319.206 ns/day 0.075 hours/ns 36.945 steps/s 2023-02-16 01:48:33,486 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7500 750 39.177 -39673 4293.9 -43967 -43967 -0.043755 0.028411 -0.003143 3458.5 2023-02-16 01:48:35,518 INFO [main.py:643]
{rank 0/100} MD step = 7600 step time: 00:00:00.020512 Performance: 319.285 ns/day 0.075 hours/ns 36.954 steps/s 2023-02-16 01:48:35,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7600 760 40.172 -39496 4402.9 -43899 -43899 -0.045276 0.028306 -0.0034669 3502.6 2023-02-16 01:48:38,150 INFO [main.py:643]
{rank 0/100} MD step = 7700 step time: 00:00:00.020375 Performance: 319.398 ns/day 0.075 hours/ns 36.967 steps/s 2023-02-16 01:48:38,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7700 770 40.2 -39396 4406 -43802 -43802 -0.045374 0.028192 -0.0030859 3567.3 2023-02-16 01:48:40,741 INFO [main.py:643]
{rank 0/100} MD step = 7800 step time: 00:00:00.020616 Performance: 319.571 ns/day 0.075 hours/ns 36.987 steps/s 2023-02-16 01:48:41,164 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7800 780 40.01 -39450 4385.2 -43836 -43836 -0.044593 0.028278 -0.0026525 3606.1 2023-02-16 01:48:43,372 INFO [main.py:643]
{rank 0/100} MD step = 7900 step time: 00:00:00.020444 Performance: 319.679 ns/day 0.075 hours/ns 37.000 steps/s 2023-02-16 01:48:43,957 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7900 790 40.354 -39468 4422.8 -43891 -43891 -0.043679 0.027449 -0.0038097 3645.7 2023-02-16 01:48:45,993 INFO [main.py:643]
{rank 0/100} MD step = 8000 step time: 00:00:00.020479 Performance: 319.800 ns/day 0.075 hours/ns 37.014 steps/s 2023-02-16 01:48:46,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8000 800 40.139 -39397 4399.3 -43796 -43796 -0.041688 0.026706 -0.0037716 3695.8 2023-02-16 01:48:48,638 INFO [main.py:643]
{rank 0/100} MD step = 8100 step time: 00:00:00.020429 Performance: 319.883 ns/day 0.075 hours/ns 37.024 steps/s 2023-02-16 01:48:49,228 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8100 810 40.441 -39350 4432.4 -43782 -43782 -0.041345 0.026135 -0.0033907 3762.6 2023-02-16 01:48:51,261 INFO [main.py:643]
{rank 0/100} MD step = 8200 step time: 00:00:00.020412 Performance: 319.995 ns/day 0.075 hours/ns 37.037 steps/s 2023-02-16 01:48:51,811 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8200 820 40.506 -39412 4439.5 -43851 -43851 -0.039688 0.025982 -0.0027811 3817.7 2023-02-16 01:48:53,843 INFO [main.py:643]
{rank 0/100} MD step = 8300 step time: 00:00:00.020443 Performance: 320.165 ns/day 0.075 hours/ns 37.056 steps/s 2023-02-16 01:48:54,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8300 830 40.3 -39341 4416.9 -43757 -43757 -0.040059 0.026401 -0.0022858 3874.1 2023-02-16 01:48:56,447 INFO [main.py:643]
{rank 0/100} MD step = 8400 step time: 00:00:00.020400 Performance: 320.298 ns/day 0.075 hours/ns 37.071 steps/s 2023-02-16 01:48:56,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8400 840 40.678 -39442 4458.4 -43900 -43900 -0.04185 0.026668 -0.0023239 3905.4 2023-02-16 01:48:59,085 INFO [main.py:643]
{rank 0/100} MD step = 8500 step time: 00:00:00.020302 Performance: 320.381 ns/day 0.075 hours/ns 37.081 steps/s 2023-02-16 01:48:59,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8500 850 39.966 -39482 4380.3 -43863 -43863 -0.042555 0.026259 -0.0030573 3960 2023-02-16 01:49:01,662 INFO [main.py:643]
{rank 0/100} MD step = 8600 step time: 00:00:00.020408 Performance: 320.546 ns/day 0.075 hours/ns 37.100 steps/s 2023-02-16 01:49:02,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8600 860 39.529 -39555 4332.4 -43888 -43888 -0.041955 0.025825 -0.0029144 4002.2 2023-02-16 01:49:04,308 INFO [main.py:643]
{rank 0/100} MD step = 8700 step time: 00:00:00.020509 Performance: 320.614 ns/day 0.075 hours/ns 37.108 steps/s 2023-02-16 01:49:04,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8700 870 40.021 -39460 4386.4 -43846 -43846 -0.040878 0.025049 -0.0032669 4056 2023-02-16 01:49:06,943 INFO [main.py:643]
{rank 0/100} MD step = 8800 step time: 00:00:00.020458 Performance: 320.695 ns/day 0.075 hours/ns 37.117 steps/s 2023-02-16 01:49:07,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8800 880 39.941 -39491 4377.6 -43868 -43868 -0.040993 0.02522 -0.0029716 4115.5 2023-02-16 01:49:09,633 INFO [main.py:643]
{rank 0/100} MD step = 8900 step time: 00:00:00.020498 Performance: 320.700 ns/day 0.075 hours/ns 37.118 steps/s 2023-02-16 01:49:10,043 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8900 890 40.552 -39386 4444.6 -43830 -43830 -0.040583 0.026021 -0.0040764 4159.6 2023-02-16 01:49:12,224 INFO [main.py:643]
{rank 0/100} MD step = 9000 step time: 00:00:00.020501 Performance: 320.837 ns/day 0.075 hours/ns 37.134 steps/s 2023-02-16 01:49:12,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9000 900 39.582 -39448 4338.2 -43787 -43787 -0.038174 0.026649 -0.0033954 4207.4 2023-02-16 01:49:14,880 INFO [main.py:643]
{rank 0/100} MD step = 9100 step time: 00:00:00.020459 Performance: 320.886 ns/day 0.075 hours/ns 37.140 steps/s 2023-02-16 01:49:15,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9100 910 39.504 -39478 4329.7 -43808 -43808 -0.037478 0.026782 -0.0030002 4252.3 2023-02-16 01:49:17,508 INFO [main.py:643]
{rank 0/100} MD step = 9200 step time: 00:00:00.020685 Performance: 320.969 ns/day 0.075 hours/ns 37.149 steps/s 2023-02-16 01:49:18,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9200 920 40.11 -39408 4396.1 -43804 -43804 -0.03605 0.026249 -0.0029906 4297.3 2023-02-16 01:49:20,133 INFO [main.py:643]
{rank 0/100} MD step = 9300 step time: 00:00:00.020343 Performance: 321.055 ns/day 0.075 hours/ns 37.159 steps/s 2023-02-16 01:49:20,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9300 930 40.331 -39436 4420.3 -43856 -43856 -0.036878 0.026506 -0.0035335 4355.6 2023-02-16 01:49:22,758 INFO [main.py:643]
{rank 0/100} MD step = 9400 step time: 00:00:00.020306 Performance: 321.138 ns/day 0.075 hours/ns 37.169 steps/s 2023-02-16 01:49:23,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9400 940 40.474 -39393 4436 -43829 -43829 -0.036364 0.027716 -0.003524 4396.3 2023-02-16 01:49:25,411 INFO [main.py:643]
{rank 0/100} MD step = 9500 step time: 00:00:00.020489 Performance: 321.185 ns/day 0.075 hours/ns 37.174 steps/s 2023-02-16 01:49:26,004 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9500 950 40.541 -39440 4443.3 -43883 -43883 -0.036373 0.027611 -0.0041717 4446.3 2023-02-16 01:49:28,048 INFO [main.py:643]
{rank 0/100} MD step = 9600 step time: 00:00:00.020414 Performance: 321.251 ns/day 0.075 hours/ns 37.182 steps/s 2023-02-16 01:49:28,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9600 960 39.995 -39439 4383.5 -43823 -43823 -0.036726 0.027773 -0.0034478 4479.4 2023-02-16 01:49:30,708 INFO [main.py:643]
{rank 0/100} MD step = 9700 step time: 00:00:00.020721 Performance: 321.288 ns/day 0.075 hours/ns 37.186 steps/s 2023-02-16 01:49:31,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9700 970 39.919 -39471 4375.2 -43846 -43846 -0.03605 0.027811 -0.0038669 4536.5 2023-02-16 01:49:33,325 INFO [main.py:643]
{rank 0/100} MD step = 9800 step time: 00:00:00.020506 Performance: 321.376 ns/day 0.075 hours/ns 37.196 steps/s 2023-02-16 01:49:33,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9800 980 40.284 -39463 4415.2 -43879 -43879 -0.035954 0.028178 -0.0034764 4579.1 2023-02-16 01:49:35,951 INFO [main.py:643]
{rank 0/100} MD step = 9900 step time: 00:00:00.020529 Performance: 321.452 ns/day 0.075 hours/ns 37.205 steps/s 2023-02-16 01:49:36,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9900 990 40.246 -39383 4411 -43794 -43794 -0.035316 0.028916 -0.0046098 4643.2 2023-02-16 01:49:38,639 INFO [main.py:643]
{rank 0/100} MD step = 10000 step time: 00:00:00.020493 Performance: 321.452 ns/day 0.075 hours/ns 37.205 steps/s 2023-02-16 01:49:39,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10000 1000 39.432 -39506 4321.8 -43827 -43827 -0.034869 0.028973 -0.005386 4678.6 2023-02-16 01:49:41,256 INFO [main.py:643]
{rank 0/100} MD step = 10100 step time: 00:00:00.020453 Performance: 321.536 ns/day 0.075 hours/ns 37.215 steps/s 2023-02-16 01:49:41,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10100 1010 40.608 -39357 4450.7 -43808 -43808 -0.033821 0.028935 -0.005867 4721.4 2023-02-16 01:49:43,852 INFO [main.py:643]
{rank 0/100} MD step = 10200 step time: 00:00:00.020484 Performance: 321.642 ns/day 0.075 hours/ns 37.227 steps/s 2023-02-16 01:49:44,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10200 1020 40.462 -39400 4434.6 -43834 -43834 -0.033792 0.029002 -0.005467 4779.4 2023-02-16 01:49:46,480 INFO [main.py:643]
{rank 0/100} MD step = 10300 step time: 00:00:00.020495 Performance: 321.710 ns/day 0.075 hours/ns 37.235 steps/s 2023-02-16 01:49:46,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10300 1030 39.388 -39447 4316.9 -43764 -43764 -0.034526 0.028721 -0.0060003 4849.9 2023-02-16 01:49:49,099 INFO [main.py:643]
{rank 0/100} MD step = 10400 step time: 00:00:00.020456 Performance: 321.787 ns/day 0.075 hours/ns 37.244 steps/s 2023-02-16 01:49:49,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10400 1040 40.67 -39343 4457.5 -43800 -43800 -0.034278 0.028535 -0.0062765 4893.3 2023-02-16 01:49:51,764 INFO [main.py:643]
{rank 0/100} MD step = 10500 step time: 00:00:00.020603 Performance: 321.809 ns/day 0.075 hours/ns 37.246 steps/s 2023-02-16 01:49:52,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10500 1050 40.34 -39399 4421.3 -43821 -43821 -0.036421 0.028573 -0.0068575 4938.8 2023-02-16 01:49:54,359 INFO [main.py:643]
{rank 0/100} MD step = 10600 step time: 00:00:00.020584 Performance: 321.911 ns/day 0.075 hours/ns 37.258 steps/s 2023-02-16 01:49:54,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10600 1060 39.285 -39451 4305.7 -43757 -43757 -0.036078 0.029545 -0.0065289 4978.5 2023-02-16 01:49:57,032 INFO [main.py:643]
{rank 0/100} MD step = 10700 step time: 00:00:00.020554 Performance: 321.923 ns/day 0.075 hours/ns 37.260 steps/s 2023-02-16 01:49:57,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10700 1070 39.488 -39481 4327.9 -43809 -43809 -0.037985 0.029868 -0.0059241 5034.3 2023-02-16 01:49:59,719 INFO [main.py:643]
{rank 0/100} MD step = 10800 step time: 00:00:00.020581 Performance: 321.920 ns/day 0.075 hours/ns 37.259 steps/s 2023-02-16 01:50:00,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10800 1080 40.288 -39411 4415.7 -43827 -43827 -0.038497 0.030192 -0.0053432 5091.7 2023-02-16 01:50:02,430 INFO [main.py:643]
{rank 0/100} MD step = 10900 step time: 00:00:00.020428 Performance: 321.890 ns/day 0.075 hours/ns 37.256 steps/s 2023-02-16 01:50:03,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10900 1090 40.399 -39461 4427.8 -43889 -43889 -0.037354 0.030121 -0.0048098 5111.5 2023-02-16 01:50:05,599 INFO [main.py:643]
{rank 0/100} MD step = 11000 step time: 00:00:00.020615 Performance: 321.363 ns/day 0.075 hours/ns 37.195 steps/s 2023-02-16 01:50:06,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11000 1100 40.395 -39400 4427.3 -43828 -43828 -0.036974 0.030459 -0.0053813 5166.9 2023-02-16 01:50:08,302 INFO [main.py:643]
{rank 0/100} MD step = 11100 step time: 00:00:00.022174 Performance: 321.347 ns/day 0.075 hours/ns 37.193 steps/s 2023-02-16 01:50:08,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11100 1110 40.402 -39383 4428.1 -43811 -43811 -0.035783 0.030783 -0.0061623 5240.7 2023-02-16 01:50:11,022 INFO [main.py:643]
{rank 0/100} MD step = 11200 step time: 00:00:00.020519 Performance: 321.313 ns/day 0.075 hours/ns 37.189 steps/s 2023-02-16 01:50:11,555 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11200 1120 40.373 -39439 4424.9 -43864 -43864 -0.035602 0.03164 -0.0058337 5283.6 2023-02-16 01:50:13,736 INFO [main.py:643]
{rank 0/100} MD step = 11300 step time: 00:00:00.020465 Performance: 321.287 ns/day 0.075 hours/ns 37.186 steps/s 2023-02-16 01:50:14,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11300 1130 39.211 -39580 4297.5 -43878 -43878 -0.035345 0.031121 -0.0057813 5342.7 2023-02-16 01:50:16,366 INFO [main.py:643]
{rank 0/100} MD step = 11400 step time: 00:00:00.020713 Performance: 321.349 ns/day 0.075 hours/ns 37.193 steps/s 2023-02-16 01:50:16,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11400 1140 39.995 -39461 4383.5 -43844 -43844 -0.034211 0.031849 -0.0055432 5372 2023-02-16 01:50:19,021 INFO [main.py:643]
{rank 0/100} MD step = 11500 step time: 00:00:00.020442 Performance: 321.383 ns/day 0.075 hours/ns 37.197 steps/s 2023-02-16 01:50:19,535 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11500 1150 39.653 -39500 4346.1 -43846 -43846 -0.035278 0.032202 -0.0041431 5429.4 2023-02-16 01:50:21,626 INFO [main.py:643]
{rank 0/100} MD step = 11600 step time: 00:00:00.020468 Performance: 321.469 ns/day 0.075 hours/ns 37.207 steps/s 2023-02-16 01:50:22,249 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11600 1160 40.043 -39382 4388.8 -43771 -43771 -0.034059 0.032821 -0.0036193 5467.8 2023-02-16 01:50:24,396 INFO [main.py:643]
{rank 0/100} MD step = 11700 step time: 00:00:00.020582 Performance: 321.386 ns/day 0.075 hours/ns 37.197 steps/s 2023-02-16 01:50:24,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11700 1170 39.554 -39550 4335.2 -43885 -43885 -0.033497 0.033273 -0.003924 5526.6 2023-02-16 01:50:27,003 INFO [main.py:643]
{rank 0/100} MD step = 11800 step time: 00:00:00.020451 Performance: 321.468 ns/day 0.075 hours/ns 37.207 steps/s 2023-02-16 01:50:27,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11800 1180 40.456 -39411 4434 -43845 -43845 -0.035097 0.032554 -0.0032526 5583 2023-02-16 01:50:29,733 INFO [main.py:643]
{rank 0/100} MD step = 11900 step time: 00:00:00.020441 Performance: 321.425 ns/day 0.075 hours/ns 37.202 steps/s 2023-02-16 01:50:30,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11900 1190 39.991 -39449 4383 -43832 -43832 -0.035031 0.033202 -0.0026192 5616.9 2023-02-16 01:50:32,399 INFO [main.py:643]
{rank 0/100} MD step = 12000 step time: 00:00:00.020481 Performance: 321.447 ns/day 0.075 hours/ns 37.205 steps/s 2023-02-16 01:50:32,861 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12000 1200 39.904 -39433 4373.5 -43806 -43806 -0.034264 0.033983 -0.0018477 5689.1 2023-02-16 01:50:35,046 INFO [main.py:643]
{rank 0/100} MD step = 12100 step time: 00:00:00.020439 Performance: 321.488 ns/day 0.075 hours/ns 37.209 steps/s 2023-02-16 01:50:35,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12100 1210 39.646 -39521 4345.2 -43866 -43866 -0.03345 0.033488 -0.002162 5737.2 2023-02-16 01:50:37,681 INFO [main.py:643]
{rank 0/100} MD step = 12200 step time: 00:00:00.020448 Performance: 321.539 ns/day 0.075 hours/ns 37.215 steps/s 2023-02-16 01:50:38,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12200 1220 39.695 -39469 4350.6 -43820 -43820 -0.034002 0.03384 -0.0013715 5780 2023-02-16 01:50:40,328 INFO [main.py:643]
{rank 0/100} MD step = 12300 step time: 00:00:00.020562 Performance: 321.579 ns/day 0.075 hours/ns 37.220 steps/s 2023-02-16 01:50:40,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12300 1230 40.786 -39388 4470.2 -43858 -43858 -0.034631 0.034697 -0.0012382 5826.7 2023-02-16 01:50:42,962 INFO [main.py:643]
{rank 0/100} MD step = 12400 step time: 00:00:00.020473 Performance: 321.629 ns/day 0.075 hours/ns 37.226 steps/s 2023-02-16 01:50:43,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12400 1240 39.744 -39510 4356 -43866 -43866 -0.034459 0.035335 -0.00087624 5875.1 2023-02-16 01:50:45,610 INFO [main.py:643]
{rank 0/100} MD step = 12500 step time: 00:00:00.020368 Performance: 321.666 ns/day 0.075 hours/ns 37.230 steps/s 2023-02-16 01:50:46,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12500 1250 39.857 -39514 4368.4 -43882 -43882 -0.035754 0.035697 -0.00095243 5926.3 2023-02-16 01:50:48,269 INFO [main.py:643]
{rank 0/100} MD step = 12600 step time: 00:00:00.022085 Performance: 321.692 ns/day 0.075 hours/ns 37.233 steps/s 2023-02-16 01:50:48,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12600 1260 39.691 -39567 4350.2 -43917 -43917 -0.03404 0.035745 -0.0010858 5967.5 2023-02-16 01:50:50,914 INFO [main.py:643]
{rank 0/100} MD step = 12700 step time: 00:00:00.020637 Performance: 321.730 ns/day 0.075 hours/ns 37.237 steps/s 2023-02-16 01:50:51,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12700 1270 40.155 -39418 4401 -43819 -43819 -0.034116 0.035583 -0.00080481 6024.2 2023-02-16 01:50:53,606 INFO [main.py:643]
{rank 0/100} MD step = 12800 step time: 00:00:00.020482 Performance: 321.724 ns/day 0.075 hours/ns 37.237 steps/s 2023-02-16 01:50:54,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12800 1280 40.163 -39437 4401.9 -43838 -43838 -0.034564 0.035002 -0.0003143 6061.8 2023-02-16 01:50:56,280 INFO [main.py:643]
{rank 0/100} MD step = 12900 step time: 00:00:00.020601 Performance: 321.734 ns/day 0.075 hours/ns 37.238 steps/s 2023-02-16 01:50:56,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12900 1290 40.052 -39420 4389.8 -43810 -43810 -0.034726 0.035859 -0.0012239 6109.4 2023-02-16 01:50:58,960 INFO [main.py:643]
{rank 0/100} MD step = 13000 step time: 00:00:00.020665 Performance: 321.740 ns/day 0.075 hours/ns 37.238 steps/s 2023-02-16 01:50:59,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13000 1300 40.303 -39449 4417.2 -43866 -43866 -0.035431 0.036364 -0.0016858 6155.9 2023-02-16 01:51:01,584 INFO [main.py:643]
{rank 0/100} MD step = 13100 step time: 00:00:00.020576 Performance: 321.796 ns/day 0.075 hours/ns 37.245 steps/s 2023-02-16 01:51:02,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13100 1310 40.148 -39478 4400.3 -43879 -43879 -0.03516 0.036754 -0.0016191 6221.4 2023-02-16 01:51:04,208 INFO [main.py:643]
{rank 0/100} MD step = 13200 step time: 00:00:00.020693 Performance: 321.852 ns/day 0.075 hours/ns 37.251 steps/s 2023-02-16 01:51:04,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13200 1320 40.001 -39457 4384.1 -43842 -43842 -0.034783 0.036383 -0.0023478 6250.1 2023-02-16 01:51:06,862 INFO [main.py:643]
{rank 0/100} MD step = 13300 step time: 00:00:00.020570 Performance: 321.879 ns/day 0.075 hours/ns 37.254 steps/s 2023-02-16 01:51:07,427 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13300 1330 39.63 -39500 4343.5 -43843 -43843 -0.03545 0.036116 -0.0029525 6309.9 2023-02-16 01:51:09,484 INFO [main.py:643]
{rank 0/100} MD step = 13400 step time: 00:00:00.020471 Performance: 321.934 ns/day 0.075 hours/ns 37.261 steps/s 2023-02-16 01:51:10,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13400 1340 40.731 -39349 4464.2 -43813 -43813 -0.034916 0.036173 -0.0023906 6380.2 2023-02-16 01:51:12,218 INFO [main.py:643]
{rank 0/100} MD step = 13500 step time: 00:00:00.020362 Performance: 321.890 ns/day 0.075 hours/ns 37.256 steps/s 2023-02-16 01:51:12,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13500 1350 40.246 -39480 4411 -43891 -43891 -0.035383 0.035623 -0.0028097 6420.3 2023-02-16 01:51:14,864 INFO [main.py:643]
{rank 0/100} MD step = 13600 step time: 00:00:00.020757 Performance: 321.923 ns/day 0.075 hours/ns 37.260 steps/s 2023-02-16 01:51:15,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13600 1360 39.79 -39512 4361 -43873 -43873 -0.036802 0.036173 -0.0027478 6472.7 2023-02-16 01:51:17,522 INFO [main.py:643]
{rank 0/100} MD step = 13700 step time: 00:00:00.020305 Performance: 321.947 ns/day 0.075 hours/ns 37.262 steps/s 2023-02-16 01:51:18,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13700 1370 40.262 -39416 4412.8 -43829 -43829 -0.037335 0.035916 -0.0027573 6526.9 2023-02-16 01:51:20,203 INFO [main.py:643]
{rank 0/100} MD step = 13800 step time: 00:00:00.020563 Performance: 321.949 ns/day 0.075 hours/ns 37.263 steps/s 2023-02-16 01:51:20,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13800 1380 39.732 -39413 4354.7 -43767 -43767 -0.039183 0.036164 -0.0032002 6564.5 2023-02-16 01:51:22,887 INFO [main.py:643]
{rank 0/100} MD step = 13900 step time: 00:00:00.020648 Performance: 321.948 ns/day 0.075 hours/ns 37.262 steps/s 2023-02-16 01:51:23,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13900 1390 40.81 -39382 4472.8 -43855 -43855 -0.039083 0.035745 -0.0028383 6618.6 2023-02-16 01:51:25,543 INFO [main.py:643]
{rank 0/100} MD step = 14000 step time: 00:00:00.020430 Performance: 321.972 ns/day 0.075 hours/ns 37.265 steps/s 2023-02-16 01:51:26,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14000 1400 40.165 -39363 4402.1 -43765 -43765 -0.039059 0.036459 -0.0024382 6669.6 2023-02-16 01:51:28,215 INFO [main.py:643]
{rank 0/100} MD step = 14100 step time: 00:00:00.022147 Performance: 321.982 ns/day 0.075 hours/ns 37.266 steps/s 2023-02-16 01:51:28,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14100 1410 40.339 -39376 4421.2 -43797 -43797 -0.039688 0.03705 -0.0020477 6714.1 2023-02-16 01:51:30,991 INFO [main.py:643]
{rank 0/100} MD step = 14200 step time: 00:00:00.020437 Performance: 321.903 ns/day 0.075 hours/ns 37.257 steps/s 2023-02-16 01:51:31,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14200 1420 40.196 -39422 4405.5 -43828 -43828 -0.038226 0.037669 -0.0022192 6755.3 2023-02-16 01:51:33,826 INFO [main.py:643]
{rank 0/100} MD step = 14300 step time: 00:00:00.024291 Performance: 321.776 ns/day 0.075 hours/ns 37.243 steps/s 2023-02-16 01:51:34,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14300 1430 39.958 -39448 4379.5 -43827 -43827 -0.036916 0.038278 -0.0021144 6812.6 2023-02-16 01:51:36,539 INFO [main.py:643]
{rank 0/100} MD step = 14400 step time: 00:00:00.020432 Performance: 321.754 ns/day 0.075 hours/ns 37.240 steps/s 2023-02-16 01:51:37,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14400 1440 39.994 -39367 4383.4 -43750 -43750 -0.035945 0.038555 -0.0018668 6878.1 2023-02-16 01:51:39,252 INFO [main.py:643]
{rank 0/100} MD step = 14500 step time: 00:00:00.020326 Performance: 321.731 ns/day 0.075 hours/ns 37.237 steps/s 2023-02-16 01:51:39,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14500 1450 40.132 -39488 4398.5 -43886 -43886 -0.035592 0.039131 -0.0014667 6914.6 2023-02-16 01:51:41,876 INFO [main.py:643]
{rank 0/100} MD step = 14600 step time: 00:00:00.020686 Performance: 321.781 ns/day 0.075 hours/ns 37.243 steps/s 2023-02-16 01:51:42,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14600 1460 40.348 -39432 4422.2 -43854 -43854 -0.034573 0.03925 -0.0011429 6963.5 2023-02-16 01:51:44,509 INFO [main.py:643]
{rank 0/100} MD step = 14700 step time: 00:00:00.020495 Performance: 321.823 ns/day 0.075 hours/ns 37.248 steps/s 2023-02-16 01:51:45,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14700 1470 40.202 -39374 4406.1 -43781 -43781 -0.033735 0.038335 -0.0010477 7021.1 2023-02-16 01:51:47,223 INFO [main.py:643]
{rank 0/100} MD step = 14800 step time: 00:00:00.020488 Performance: 321.800 ns/day 0.075 hours/ns 37.245 steps/s 2023-02-16 01:51:47,901 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14800 1480 40.22 -39476 4408.2 -43884 -43884 -0.03345 0.038564 -0.00098934 7054.8 2023-02-16 01:51:49,955 INFO [main.py:643]
{rank 0/100} MD step = 14900 step time: 00:00:00.020655 Performance: 321.762 ns/day 0.075 hours/ns 37.241 steps/s 2023-02-16 01:51:50,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14900 1490 39.555 -39557 4335.3 -43892 -43892 -0.032211 0.039259 -0.0014382 7112.6 2023-02-16 01:51:52,605 INFO [main.py:643]
{rank 0/100} MD step = 15000 step time: 00:00:00.020532 Performance: 321.790 ns/day 0.075 hours/ns 37.244 steps/s 2023-02-16 01:51:53,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15000 1500 39.74 -39452 4355.6 -43808 -43808 -0.031945 0.039621 -0.00051431 7164.4 2023-02-16 01:51:55,369 INFO [main.py:643]
{rank 0/100} MD step = 15100 step time: 00:00:00.020523 Performance: 321.728 ns/day 0.075 hours/ns 37.237 steps/s 2023-02-16 01:51:55,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15100 1510 40.45 -39373 4433.4 -43806 -43806 -0.032173 0.038812 -0.00013334 7210.9 2023-02-16 01:51:58,013 INFO [main.py:643]
{rank 0/100} MD step = 15200 step time: 00:00:00.020561 Performance: 321.760 ns/day 0.075 hours/ns 37.241 steps/s 2023-02-16 01:51:58,563 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15200 1520 39.813 -39420 4363.5 -43783 -43783 -0.03124 0.038897 -0.0011429 7259.6 2023-02-16 01:52:00,716 INFO [main.py:643]
{rank 0/100} MD step = 15300 step time: 00:00:00.020587 Performance: 321.746 ns/day 0.075 hours/ns 37.239 steps/s 2023-02-16 01:52:01,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15300 1530 40.367 -39360 4424.3 -43784 -43784 -0.032535 0.039688 -0.0015239 7307.2 2023-02-16 01:52:03,368 INFO [main.py:643]
{rank 0/100} MD step = 15400 step time: 00:00:00.020508 Performance: 321.772 ns/day 0.075 hours/ns 37.242 steps/s 2023-02-16 01:52:03,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15400 1540 40.538 -39384 4443 -43827 -43827 -0.032735 0.040659 -0.0020477 7365.3 2023-02-16 01:52:06,004 INFO [main.py:643]
{rank 0/100} MD step = 15500 step time: 00:00:00.020537 Performance: 321.810 ns/day 0.075 hours/ns 37.247 steps/s 2023-02-16 01:52:06,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15500 1550 40.158 -39403 4401.4 -43805 -43805 -0.033183 0.040536 -0.0025501 7422.9 2023-02-16 01:52:08,664 INFO [main.py:643]
{rank 0/100} MD step = 15600 step time: 00:00:00.020849 Performance: 321.829 ns/day 0.075 hours/ns 37.249 steps/s 2023-02-16 01:52:09,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15600 1560 39.85 -39412 4367.6 -43780 -43780 -0.033069 0.04044 -0.0024192 7478.1 2023-02-16 01:52:11,346 INFO [main.py:643]
{rank 0/100} MD step = 15700 step time: 00:00:00.020440 Performance: 321.831 ns/day 0.075 hours/ns 37.249 steps/s 2023-02-16 01:52:11,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15700 1570 38.898 -39577 4263.2 -43840 -43840 -0.032836 0.040193 -0.0021906 7520.1 2023-02-16 01:52:13,971 INFO [main.py:643]
{rank 0/100} MD step = 15800 step time: 00:00:00.020418 Performance: 321.877 ns/day 0.075 hours/ns 37.254 steps/s 2023-02-16 01:52:14,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15800 1580 40 -39484 4384.1 -43868 -43868 -0.033054 0.040859 -0.0016549 7564.7 2023-02-16 01:52:16,637 INFO [main.py:643]
{rank 0/100} MD step = 15900 step time: 00:00:00.020603 Performance: 321.890 ns/day 0.075 hours/ns 37.256 steps/s 2023-02-16 01:52:17,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15900 1590 40.569 -39403 4446.4 -43849 -43849 -0.032769 0.04145 -0.0019334 7628.3 2023-02-16 01:52:19,318 INFO [main.py:643]
{rank 0/100} MD step = 16000 step time: 00:00:00.020519 Performance: 321.893 ns/day 0.075 hours/ns 37.256 steps/s 2023-02-16 01:52:19,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16000 1600 39.879 -39448 4370.8 -43819 -43819 -0.032992 0.041188 -0.0018953 7665.1 2023-02-16 01:52:22,002 INFO [main.py:643]
{rank 0/100} MD step = 16100 step time: 00:00:00.020451 Performance: 321.893 ns/day 0.075 hours/ns 37.256 steps/s 2023-02-16 01:52:22,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16100 1610 39.64 -39457 4344.6 -43801 -43801 -0.034269 0.042574 -0.0018477 7721.3 2023-02-16 01:52:24,648 INFO [main.py:643]
{rank 0/100} MD step = 16200 step time: 00:00:00.020538 Performance: 321.921 ns/day 0.075 hours/ns 37.259 steps/s 2023-02-16 01:52:25,341 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16200 1620 39.945 -39463 4378 -43841 -43841 -0.034535 0.042812 -0.0019811 7773.8 2023-02-16 01:52:27,376 INFO [main.py:643]
{rank 0/100} MD step = 16300 step time: 00:00:00.020616 Performance: 321.888 ns/day 0.075 hours/ns 37.256 steps/s 2023-02-16 01:52:27,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16300 1630 39.704 -39548 4351.6 -43900 -43900 -0.033907 0.043236 -0.0011191 7826.4 2023-02-16 01:52:30,015 INFO [main.py:643]
{rank 0/100} MD step = 16400 step time: 00:00:00.020470 Performance: 321.921 ns/day 0.075 hours/ns 37.259 steps/s 2023-02-16 01:52:30,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16400 1640 39.829 -39442 4365.3 -43808 -43808 -0.035945 0.044453 -0.00049527 7880.2 2023-02-16 01:52:32,671 INFO [main.py:643]
{rank 0/100} MD step = 16500 step time: 00:00:00.020472 Performance: 321.942 ns/day 0.075 hours/ns 37.262 steps/s 2023-02-16 01:52:33,173 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16500 1650 40.308 -39467 4417.8 -43885 -43885 -0.035935 0.044117 -0.0010096 7933.5 2023-02-16 01:52:35,314 INFO [main.py:643]
{rank 0/100} MD step = 16600 step time: 00:00:00.020828 Performance: 321.971 ns/day 0.075 hours/ns 37.265 steps/s 2023-02-16 01:52:35,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16600 1660 40.216 -39419 4407.7 -43826 -43826 -0.036497 0.044383 -0.0015953 8000.4 2023-02-16 01:52:37,993 INFO [main.py:643]
{rank 0/100} MD step = 16700 step time: 00:00:00.020368 Performance: 321.975 ns/day 0.075 hours/ns 37.266 steps/s 2023-02-16 01:52:38,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16700 1670 40.045 -39428 4389 -43817 -43817 -0.036431 0.043793 -0.001743 8048 2023-02-16 01:52:40,615 INFO [main.py:643]
{rank 0/100} MD step = 16800 step time: 00:00:00.020522 Performance: 322.019 ns/day 0.075 hours/ns 37.271 steps/s 2023-02-16 01:52:41,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16800 1680 40.108 -39398 4395.9 -43794 -43794 -0.03404 0.043945 -0.0018001 8087.4 2023-02-16 01:52:43,267 INFO [main.py:643]
{rank 0/100} MD step = 16900 step time: 00:00:00.020402 Performance: 322.040 ns/day 0.075 hours/ns 37.273 steps/s 2023-02-16 01:52:43,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16900 1690 39.179 -39492 4294.1 -43787 -43787 -0.033673 0.043521 -0.0012001 8147.3 2023-02-16 01:52:45,913 INFO [main.py:643]
{rank 0/100} MD step = 17000 step time: 00:00:00.020524 Performance: 322.067 ns/day 0.075 hours/ns 37.276 steps/s 2023-02-16 01:52:46,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17000 1700 39.576 -39517 4337.6 -43854 -43854 -0.033992 0.044222 -0.00060956 8191 2023-02-16 01:52:48,599 INFO [main.py:643]
{rank 0/100} MD step = 17100 step time: 00:00:00.020480 Performance: 322.064 ns/day 0.075 hours/ns 37.276 steps/s 2023-02-16 01:52:49,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17100 1710 40.311 -39423 4418.1 -43841 -43841 -0.032973 0.044695 -0.00015239 8247.8 2023-02-16 01:52:51,218 INFO [main.py:643]
{rank 0/100} MD step = 17200 step time: 00:00:00.020514 Performance: 322.109 ns/day 0.075 hours/ns 37.281 steps/s 2023-02-16 01:52:51,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17200 1720 40.456 -39406 4434 -43840 -43840 -0.033349 0.04465 -0.00083814 8292.6 2023-02-16 01:52:53,874 INFO [main.py:643]
{rank 0/100} MD step = 17300 step time: 00:00:00.020296 Performance: 322.127 ns/day 0.075 hours/ns 37.283 steps/s 2023-02-16 01:52:54,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17300 1730 40.089 -39383 4393.8 -43777 -43777 -0.033383 0.043702 2.3811e-05 8343.4 2023-02-16 01:52:56,495 INFO [main.py:643]
{rank 0/100} MD step = 17400 step time: 00:00:00.020561 Performance: 322.169 ns/day 0.074 hours/ns 37.288 steps/s 2023-02-16 01:52:57,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17400 1740 40.578 -39349 4447.4 -43796 -43796 -0.034726 0.043888 -0.00013334 8404.3 2023-02-16 01:52:59,194 INFO [main.py:643]
{rank 0/100} MD step = 17500 step time: 00:00:00.020476 Performance: 322.157 ns/day 0.074 hours/ns 37.287 steps/s 2023-02-16 01:52:59,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17500 1750 40.208 -39397 4406.8 -43804 -43804 -0.035011 0.044631 0.00048574 8449.1 2023-02-16 01:53:01,810 INFO [main.py:643]
{rank 0/100} MD step = 17600 step time: 00:00:00.020511 Performance: 322.202 ns/day 0.074 hours/ns 37.292 steps/s 2023-02-16 01:53:02,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17600 1760 39.532 -39481 4332.8 -43814 -43814 -0.035821 0.044631 -7.6195e-05 8511 2023-02-16 01:53:04,626 INFO [main.py:643]
{rank 0/100} MD step = 17700 step time: 00:00:00.020654 Performance: 322.111 ns/day 0.075 hours/ns 37.281 steps/s 2023-02-16 01:53:05,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17700 1770 39.629 -39510 4343.4 -43854 -43854 -0.03505 0.045474 0.00023335 8544.7 2023-02-16 01:53:07,335 INFO [main.py:643]
{rank 0/100} MD step = 17800 step time: 00:00:00.020427 Performance: 322.093 ns/day 0.075 hours/ns 37.279 steps/s 2023-02-16 01:53:07,844 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17800 1780 40.398 -39380 4427.7 -43808 -43808 -0.034554 0.046879 0.00030478 8604 2023-02-16 01:53:09,978 INFO [main.py:643]
{rank 0/100} MD step = 17900 step time: 00:00:00.020406 Performance: 322.120 ns/day 0.075 hours/ns 37.282 steps/s 2023-02-16 01:53:10,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17900 1790 39.613 -39508 4341.6 -43849 -43849 -0.035154 0.047393 0.00032383 8644.3 2023-02-16 01:53:12,635 INFO [main.py:643]
{rank 0/100} MD step = 18000 step time: 00:00:00.020509 Performance: 322.136 ns/day 0.075 hours/ns 37.284 steps/s 2023-02-16 01:53:13,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18000 1800 39.353 -39496 4313.1 -43810 -43810 -0.034935 0.047098 0.00039526 8681.1 2023-02-16 01:53:15,270 INFO [main.py:643]
{rank 0/100} MD step = 18100 step time: 00:00:00.020394 Performance: 322.167 ns/day 0.074 hours/ns 37.288 steps/s 2023-02-16 01:53:15,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18100 1810 39.904 -39436 4373.5 -43809 -43809 -0.035316 0.046374 0.00034288 8725.9 2023-02-16 01:53:17,947 INFO [main.py:643]
{rank 0/100} MD step = 18200 step time: 00:00:00.020441 Performance: 322.171 ns/day 0.074 hours/ns 37.288 steps/s 2023-02-16 01:53:18,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18200 1820 39.6 -39505 4340.2 -43845 -43845 -0.036012 0.047088 0.00045479 8780.2 2023-02-16 01:53:20,625 INFO [main.py:643]
{rank 0/100} MD step = 18300 step time: 00:00:00.020581 Performance: 322.173 ns/day 0.074 hours/ns 37.289 steps/s 2023-02-16 01:53:21,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18300 1830 40.396 -39418 4427.5 -43846 -43846 -0.033459 0.046753 0.00030478 8830.5 2023-02-16 01:53:23,324 INFO [main.py:643]
{rank 0/100} MD step = 18400 step time: 00:00:00.020494 Performance: 322.162 ns/day 0.074 hours/ns 37.287 steps/s 2023-02-16 01:53:23,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18400 1840 39.994 -39437 4383.4 -43820 -43820 -0.033078 0.046431 0.00091434 8875.8 2023-02-16 01:53:25,974 INFO [main.py:643]
{rank 0/100} MD step = 18500 step time: 00:00:00.020492 Performance: 322.183 ns/day 0.074 hours/ns 37.290 steps/s 2023-02-16 01:53:26,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18500 1850 40.275 -39464 4414.2 -43878 -43878 -0.032449 0.046912 0.00097148 8910 2023-02-16 01:53:28,624 INFO [main.py:643]
{rank 0/100} MD step = 18600 step time: 00:00:00.020402 Performance: 322.203 ns/day 0.074 hours/ns 37.292 steps/s 2023-02-16 01:53:29,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18600 1860 40.021 -39417 4386.3 -43803 -43803 -0.032954 0.047488 0.0014953 8954.6 2023-02-16 01:53:31,281 INFO [main.py:643]
{rank 0/100} MD step = 18700 step time: 00:00:00.020377 Performance: 322.219 ns/day 0.074 hours/ns 37.294 steps/s 2023-02-16 01:53:31,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18700 1870 39.689 -39472 4350 -43822 -43822 -0.033221 0.047565 0.0016239 8994 2023-02-16 01:53:33,936 INFO [main.py:643]
{rank 0/100} MD step = 18800 step time: 00:00:00.020476 Performance: 322.236 ns/day 0.074 hours/ns 37.296 steps/s 2023-02-16 01:53:34,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18800 1880 40.335 -39450 4420.8 -43871 -43871 -0.032973 0.048498 0.0022668 9042.2 2023-02-16 01:53:36,673 INFO [main.py:643]
{rank 0/100} MD step = 18900 step time: 00:00:00.020408 Performance: 322.200 ns/day 0.074 hours/ns 37.292 steps/s 2023-02-16 01:53:37,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18900 1890 39.791 -39505 4361.2 -43866 -43866 -0.034992 0.048746 0.0019715 9086.3 2023-02-16 01:53:39,376 INFO [main.py:643]
{rank 0/100} MD step = 19000 step time: 00:00:00.020413 Performance: 322.187 ns/day 0.074 hours/ns 37.290 steps/s 2023-02-16 01:53:40,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19000 1900 40.033 -39470 4387.7 -43857 -43857 -0.034916 0.049184 0.0021525 9141.7 2023-02-16 01:53:42,056 INFO [main.py:643]
{rank 0/100} MD step = 19100 step time: 00:00:00.020637 Performance: 322.188 ns/day 0.074 hours/ns 37.290 steps/s 2023-02-16 01:53:42,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19100 1910 39.242 -39508 4301 -43809 -43809 -0.03424 0.049279 0.0024382 9190.1 2023-02-16 01:53:44,718 INFO [main.py:643]
{rank 0/100} MD step = 19200 step time: 00:00:00.020299 Performance: 322.200 ns/day 0.074 hours/ns 37.292 steps/s 2023-02-16 01:53:45,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19200 1920 39.97 -39340 4380.8 -43721 -43721 -0.03343 0.050234 0.0024097 9248.7 2023-02-16 01:53:47,412 INFO [main.py:643]
{rank 0/100} MD step = 19300 step time: 00:00:00.020469 Performance: 322.192 ns/day 0.074 hours/ns 37.291 steps/s 2023-02-16 01:53:47,901 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19300 1930 40.07 -39463 4391.7 -43855 -43855 -0.03405 0.050127 0.0028383 9290.3 2023-02-16 01:53:50,060 INFO [main.py:643]
{rank 0/100} MD step = 19400 step time: 00:00:00.020316 Performance: 322.213 ns/day 0.074 hours/ns 37.293 steps/s 2023-02-16 01:53:50,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19400 1940 39.805 -39419 4362.7 -43782 -43782 -0.034154 0.049974 0.002743 9346.7 2023-02-16 01:53:52,741 INFO [main.py:643]
{rank 0/100} MD step = 19500 step time: 00:00:00.020532 Performance: 322.213 ns/day 0.074 hours/ns 37.293 steps/s 2023-02-16 01:53:53,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19500 1950 41.091 -39312 4503.7 -43815 -43815 -0.035026 0.05025 0.0028216 9399.5 2023-02-16 01:53:55,388 INFO [main.py:643]
{rank 0/100} MD step = 19600 step time: 00:00:00.020537 Performance: 322.235 ns/day 0.074 hours/ns 37.296 steps/s 2023-02-16 01:53:55,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19600 1960 39.794 -39473 4361.5 -43834 -43834 -0.034954 0.049812 0.0027811 9452.3 2023-02-16 01:53:58,060 INFO [main.py:643]
{rank 0/100} MD step = 19700 step time: 00:00:00.020505 Performance: 322.240 ns/day 0.074 hours/ns 37.296 steps/s 2023-02-16 01:53:58,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19700 1970 40.608 -39329 4450.7 -43780 -43780 -0.034973 0.049508 0.0022192 9508.6 2023-02-16 01:54:00,692 INFO [main.py:643]
{rank 0/100} MD step = 19800 step time: 00:00:00.020645 Performance: 322.270 ns/day 0.074 hours/ns 37.300 steps/s 2023-02-16 01:54:01,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19800 1980 40.286 -39442 4415.4 -43858 -43858 -0.033764 0.049146 0.0029716 9548.4 2023-02-16 01:54:03,372 INFO [main.py:643]
{rank 0/100} MD step = 19900 step time: 00:00:00.020460 Performance: 322.271 ns/day 0.074 hours/ns 37.300 steps/s 2023-02-16 01:54:03,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19900 1990 39.924 -39441 4375.7 -43817 -43817 -0.032759 0.049279 0.0040669 9610.7 2023-02-16 01:54:06,025 INFO [main.py:643]
{rank 0/100} MD step = 20000 step time: 00:00:00.020610 Performance: 322.288 ns/day 0.074 hours/ns 37.302 steps/s 2023-02-16 01:54:06,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20000 2000 39.547 -39420 4334.4 -43755 -43755 -0.031811 0.050031 0.0038859 9652.7 2023-02-16 01:54:08,712 INFO [main.py:643]
{rank 0/100} MD step = 20100 step time: 00:00:00.020375 Performance: 322.284 ns/day 0.074 hours/ns 37.301 steps/s 2023-02-16 01:54:09,163 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20100 2010 39.734 -39505 4354.9 -43860 -43860 -0.031754 0.049908 0.0042383 9702.3 2023-02-16 01:54:11,366 INFO [main.py:643]
{rank 0/100} MD step = 20200 step time: 00:00:00.020391 Performance: 322.300 ns/day 0.074 hours/ns 37.303 steps/s 2023-02-16 01:54:11,773 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20200 2020 39.972 -39431 4381 -43812 -43812 -0.031683 0.049993 0.0039621 9763 2023-02-16 01:54:14,079 INFO [main.py:643]
{rank 0/100} MD step = 20300 step time: 00:00:00.020501 Performance: 322.281 ns/day 0.074 hours/ns 37.301 steps/s 2023-02-16 01:54:14,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20300 2030 40.358 -39406 4423.3 -43830 -43830 -0.031297 0.050517 0.0034478 9801.1 2023-02-16 01:54:16,736 INFO [main.py:643]
{rank 0/100} MD step = 20400 step time: 00:00:00.020622 Performance: 322.295 ns/day 0.074 hours/ns 37.303 steps/s 2023-02-16 01:54:17,270 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20400 2040 40.066 -39423 4391.3 -43815 -43815 -0.03213 0.050812 0.0036002 9867.6 2023-02-16 01:54:19,425 INFO [main.py:643]
{rank 0/100} MD step = 20500 step time: 00:00:00.020406 Performance: 322.290 ns/day 0.074 hours/ns 37.302 steps/s 2023-02-16 01:54:19,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20500 2050 39.84 -39445 4366.5 -43811 -43811 -0.032288 0.050803 0.0032002 9905.7 2023-02-16 01:54:22,081 INFO [main.py:643]
{rank 0/100} MD step = 20600 step time: 00:00:00.020383 Performance: 322.305 ns/day 0.074 hours/ns 37.304 steps/s 2023-02-16 01:54:22,498 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20600 2060 40.657 -39366 4456 -43822 -43822 -0.031449 0.050069 0.0038478 9967.8 2023-02-16 01:54:24,773 INFO [main.py:643]
{rank 0/100} MD step = 20700 step time: 00:00:00.020342 Performance: 322.298 ns/day 0.074 hours/ns 37.303 steps/s 2023-02-16 01:54:25,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20700 2070 40.06 -39340 4390.6 -43731 -43731 -0.030459 0.050193 0.0027716 10014 2023-02-16 01:54:27,419 INFO [main.py:643]
{rank 0/100} MD step = 20800 step time: 00:00:00.020449 Performance: 322.318 ns/day 0.074 hours/ns 37.305 steps/s 2023-02-16 01:54:28,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20800 2080 40.478 -39421 4436.4 -43857 -43857 -0.031697 0.051222 0.0037526 10061 2023-02-16 01:54:30,126 INFO [main.py:643]
{rank 0/100} MD step = 20900 step time: 00:00:00.020419 Performance: 322.303 ns/day 0.074 hours/ns 37.304 steps/s 2023-02-16 01:54:30,734 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20900 2090 39.728 -39484 4354.2 -43838 -43838 -0.032392 0.051184 0.0028192 10113 2023-02-16 01:54:32,771 INFO [main.py:643]
{rank 0/100} MD step = 21000 step time: 00:00:00.020495 Performance: 322.323 ns/day 0.074 hours/ns 37.306 steps/s 2023-02-16 01:54:33,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21000 2100 40.28 -39428 4414.7 -43843 -43843 -0.031907 0.051889 0.0029954 10150 2023-02-16 01:54:35,434 INFO [main.py:643]
{rank 0/100} MD step = 21100 step time: 00:00:00.020664 Performance: 322.333 ns/day 0.074 hours/ns 37.307 steps/s 2023-02-16 01:54:36,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21100 2110 40.004 -39453 4384.5 -43838 -43838 -0.031221 0.052146 0.0036002 10211 2023-02-16 01:54:38,189 INFO [main.py:643]
{rank 0/100} MD step = 21200 step time: 00:00:00.021842 Performance: 322.291 ns/day 0.074 hours/ns 37.302 steps/s 2023-02-16 01:54:38,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21200 2120 39.746 -39479 4356.2 -43835 -43835 -0.030726 0.052298 0.002743 10255 2023-02-16 01:54:40,880 INFO [main.py:643]
{rank 0/100} MD step = 21300 step time: 00:00:00.020363 Performance: 322.285 ns/day 0.074 hours/ns 37.302 steps/s 2023-02-16 01:54:41,510 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21300 2130 40.032 -39469 4387.6 -43856 -43856 -0.030183 0.053032 0.0028573 10301 2023-02-16 01:54:43,548 INFO [main.py:643]
{rank 0/100} MD step = 21400 step time: 00:00:00.020514 Performance: 322.293 ns/day 0.074 hours/ns 37.302 steps/s 2023-02-16 01:54:44,164 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21400 2140 40.399 -39420 4427.8 -43847 -43847 -0.03183 0.054098 0.0026859 10363 2023-02-16 01:54:46,206 INFO [main.py:643]
{rank 0/100} MD step = 21500 step time: 00:00:00.020454 Performance: 322.305 ns/day 0.074 hours/ns 37.304 steps/s 2023-02-16 01:54:46,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21500 2150 39.489 -39548 4328.1 -43876 -43876 -0.032516 0.054155 0.0026954 10422 2023-02-16 01:54:48,904 INFO [main.py:643]
{rank 0/100} MD step = 21600 step time: 00:00:00.020571 Performance: 322.296 ns/day 0.074 hours/ns 37.303 steps/s 2023-02-16 01:54:49,328 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21600 2160 40.002 -39467 4384.2 -43851 -43851 -0.032583 0.054394 0.0028192 10451 2023-02-16 01:54:51,599 INFO [main.py:643]
{rank 0/100} MD step = 21700 step time: 00:00:00.020454 Performance: 322.287 ns/day 0.074 hours/ns 37.302 steps/s 2023-02-16 01:54:52,229 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21700 2170 40.378 -39317 4425.5 -43743 -43743 -0.033254 0.054822 0.0034097 10505 2023-02-16 01:54:54,288 INFO [main.py:643]
{rank 0/100} MD step = 21800 step time: 00:00:00.020536 Performance: 322.283 ns/day 0.074 hours/ns 37.301 steps/s 2023-02-16 01:54:54,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21800 2180 39.747 -39443 4356.3 -43799 -43799 -0.032383 0.055013 0.0039336 10552 2023-02-16 01:54:56,968 INFO [main.py:643]
{rank 0/100} MD step = 21900 step time: 00:00:00.020542 Performance: 322.284 ns/day 0.074 hours/ns 37.301 steps/s 2023-02-16 01:54:57,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21900 2190 40.057 -39515 4390.3 -43905 -43905 -0.033116 0.055108 0.0037335 10589 2023-02-16 01:54:59,679 INFO [main.py:643]
{rank 0/100} MD step = 22000 step time: 00:00:00.020461 Performance: 322.267 ns/day 0.074 hours/ns 37.299 steps/s 2023-02-16 01:55:00,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22000 2200 39.845 -39560 4367 -43927 -43927 -0.032421 0.055236 0.0029573 10642 2023-02-16 01:55:02,361 INFO [main.py:643]
{rank 0/100} MD step = 22100 step time: 00:00:00.020546 Performance: 322.267 ns/day 0.074 hours/ns 37.299 steps/s 2023-02-16 01:55:03,029 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22100 2210 40.03 -39406 4387.4 -43793 -43793 -0.03263 0.056322 0.0023858 10690 2023-02-16 01:55:05,067 INFO [main.py:643]
{rank 0/100} MD step = 22200 step time: 00:00:00.020592 Performance: 322.253 ns/day 0.074 hours/ns 37.298 steps/s 2023-02-16 01:55:05,686 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22200 2220 39.89 -39528 4371.9 -43900 -43900 -0.03233 0.056289 0.0019049 10734 2023-02-16 01:55:07,860 INFO [main.py:643]
{rank 0/100} MD step = 22300 step time: 00:00:00.021241 Performance: 322.193 ns/day 0.074 hours/ns 37.291 steps/s 2023-02-16 01:55:08,519 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22300 2230 39.859 -39500 4368.6 -43869 -43869 -0.033526 0.057165 0.0032192 10786 2023-02-16 01:55:10,681 INFO [main.py:643]
{rank 0/100} MD step = 22400 step time: 00:00:00.021733 Performance: 322.118 ns/day 0.075 hours/ns 37.282 steps/s 2023-02-16 01:55:11,171 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22400 2240 40.477 -39505 4436.4 -43941 -43941 -0.035392 0.05707 0.0035812 10832 2023-02-16 01:55:13,842 INFO [main.py:643]
{rank 0/100} MD step = 22500 step time: 00:00:00.021675 Performance: 321.863 ns/day 0.075 hours/ns 37.253 steps/s 2023-02-16 01:55:14,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22500 2250 39.864 -39479 4369.2 -43848 -43848 -0.036093 0.057446 0.0044002 10897 2023-02-16 01:55:16,449 INFO [main.py:643]
{rank 0/100} MD step = 22600 step time: 00:00:00.021886 Performance: 321.904 ns/day 0.075 hours/ns 37.257 steps/s 2023-02-16 01:55:16,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22600 2260 40.37 -39407 4424.6 -43831 -43831 -0.037031 0.05747 0.004905 10930 2023-02-16 01:55:19,215 INFO [main.py:643]
{rank 0/100} MD step = 22700 step time: 00:00:00.021845 Performance: 321.861 ns/day 0.075 hours/ns 37.252 steps/s 2023-02-16 01:55:19,866 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22700 2270 40.001 -39440 4384.1 -43824 -43824 -0.038736 0.057565 0.0057146 10986 2023-02-16 01:55:22,017 INFO [main.py:643]
{rank 0/100} MD step = 22800 step time: 00:00:00.021701 Performance: 321.799 ns/day 0.075 hours/ns 37.245 steps/s 2023-02-16 01:55:22,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22800 2280 39.812 -39483 4363.4 -43847 -43847 -0.039131 0.058022 0.006248 11033 2023-02-16 01:55:24,804 INFO [main.py:643]
{rank 0/100} MD step = 22900 step time: 00:00:00.021690 Performance: 321.745 ns/day 0.075 hours/ns 37.239 steps/s 2023-02-16 01:55:25,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22900 2290 39.889 -39478 4371.9 -43850 -43850 -0.038702 0.057527 0.0062575 11084 2023-02-16 01:55:27,754 INFO [main.py:643]
{rank 0/100} MD step = 23000 step time: 00:00:00.021780 Performance: 321.608 ns/day 0.075 hours/ns 37.223 steps/s 2023-02-16 01:55:28,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23000 2300 40.261 -39443 4412.6 -43855 -43855 -0.038993 0.057318 0.0063908 11124 2023-02-16 01:55:30,564 INFO [main.py:643]
{rank 0/100} MD step = 23100 step time: 00:00:00.021721 Performance: 321.544 ns/day 0.075 hours/ns 37.216 steps/s 2023-02-16 01:55:30,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23100 2310 39.539 -39494 4333.5 -43828 -43828 -0.039888 0.05776 0.0055622 11173 2023-02-16 01:55:33,406 INFO [main.py:643]
{rank 0/100} MD step = 23200 step time: 00:00:00.021673 Performance: 321.464 ns/day 0.075 hours/ns 37.206 steps/s 2023-02-16 01:55:33,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23200 2320 40.182 -39466 4404 -43870 -43870 -0.039907 0.057237 0.006467 11225 2023-02-16 01:55:36,217 INFO [main.py:643]
{rank 0/100} MD step = 23300 step time: 00:00:00.021648 Performance: 321.400 ns/day 0.075 hours/ns 37.199 steps/s 2023-02-16 01:55:36,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23300 2330 40.526 -39377 4441.7 -43818 -43818 -0.039393 0.05797 0.0079243 11284 2023-02-16 01:55:38,988 INFO [main.py:643]
{rank 0/100} MD step = 23400 step time: 00:00:00.021397 Performance: 321.358 ns/day 0.075 hours/ns 37.194 steps/s 2023-02-16 01:55:39,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23400 2340 40.315 -39455 4418.6 -43874 -43874 -0.040193 0.058137 0.0079909 11329 2023-02-16 01:55:41,771 INFO [main.py:643]
{rank 0/100} MD step = 23500 step time: 00:00:00.021440 Performance: 321.310 ns/day 0.075 hours/ns 37.189 steps/s 2023-02-16 01:55:42,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23500 2350 39.793 -39465 4361.4 -43826 -43826 -0.040517 0.057746 0.0088957 11377 2023-02-16 01:55:44,970 INFO [main.py:643]
{rank 0/100} MD step = 23600 step time: 00:00:00.021555 Performance: 321.052 ns/day 0.075 hours/ns 37.159 steps/s 2023-02-16 01:55:45,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23600 2360 40.182 -39334 4404 -43738 -43738 -0.039919 0.058356 0.0093815 11432 2023-02-16 01:55:47,864 INFO [main.py:643]
{rank 0/100} MD step = 23700 step time: 00:00:00.021403 Performance: 320.950 ns/day 0.075 hours/ns 37.147 steps/s 2023-02-16 01:55:48,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23700 2370 40.257 -39460 4412.2 -43873 -43873 -0.041993 0.057546 0.008591 11484 2023-02-16 01:55:50,744 INFO [main.py:643]
{rank 0/100} MD step = 23800 step time: 00:00:00.021430 Performance: 320.856 ns/day 0.075 hours/ns 37.136 steps/s 2023-02-16 01:55:51,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23800 2380 40.145 -39457 4400 -43857 -43857 -0.041126 0.05806 0.0077719 11520 2023-02-16 01:55:53,541 INFO [main.py:643]
{rank 0/100} MD step = 23900 step time: 00:00:00.021425 Performance: 320.804 ns/day 0.075 hours/ns 37.130 steps/s 2023-02-16 01:55:56,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23900 2390 39.861 -39489 4368.9 -43858 -43858 -0.040978 0.057822 0.0080766 11562 2023-02-16 01:55:58,441 INFO [main.py:643]
{rank 0/100} MD step = 24000 step time: 00:00:00.021396 Performance: 319.713 ns/day 0.075 hours/ns 37.004 steps/s 2023-02-16 01:55:59,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24000 2400 40.217 -39459 4407.8 -43867 -43867 -0.041259 0.056975 0.0073909 11615 2023-02-16 01:56:01,218 INFO [main.py:643]
{rank 0/100} MD step = 24100 step time: 00:00:00.022017 Performance: 319.676 ns/day 0.075 hours/ns 37.000 steps/s 2023-02-16 01:56:01,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24100 2410 39.524 -39561 4331.9 -43893 -43893 -0.043126 0.057337 0.0065956 11678 2023-02-16 01:56:05,441 INFO [main.py:643]
{rank 0/100} MD step = 24200 step time: 00:00:00.021519 Performance: 318.935 ns/day 0.075 hours/ns 36.914 steps/s 2023-02-16 01:56:05,951 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24200 2420 39.908 -39482 4374 -43856 -43856 -0.043612 0.057813 0.0068575 11739 2023-02-16 01:56:08,116 INFO [main.py:643]
{rank 0/100} MD step = 24300 step time: 00:00:00.021584 Performance: 318.951 ns/day 0.075 hours/ns 36.916 steps/s 2023-02-16 01:56:08,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24300 2430 40.205 -39360 4406.5 -43766 -43766 -0.042841 0.058827 0.0064289 11792 2023-02-16 01:56:10,805 INFO [main.py:643]
{rank 0/100} MD step = 24400 step time: 00:00:00.020911 Performance: 318.960 ns/day 0.075 hours/ns 36.917 steps/s 2023-02-16 01:56:11,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24400 2440 40.155 -39354 4401.1 -43755 -43755 -0.042821 0.058332 0.0055908 11840 2023-02-16 01:56:13,786 INFO [main.py:643]
{rank 0/100} MD step = 24500 step time: 00:00:00.020471 Performance: 318.830 ns/day 0.075 hours/ns 36.902 steps/s 2023-02-16 01:56:14,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24500 2450 40.071 -39413 4391.9 -43805 -43805 -0.042298 0.059337 0.0065385 11871 2023-02-16 01:56:16,445 INFO [main.py:643]
{rank 0/100} MD step = 24600 step time: 00:00:00.020388 Performance: 318.854 ns/day 0.075 hours/ns 36.904 steps/s 2023-02-16 01:56:17,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24600 2460 40.542 -39316 4443.5 -43760 -43760 -0.043469 0.059318 0.0063623 11926 2023-02-16 01:56:19,140 INFO [main.py:643]
{rank 0/100} MD step = 24700 step time: 00:00:00.020370 Performance: 318.861 ns/day 0.075 hours/ns 36.905 steps/s 2023-02-16 01:56:19,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24700 2470 40.765 -39353 4467.9 -43820 -43820 -0.043383 0.058679 0.0065908 11994 2023-02-16 01:56:21,798 INFO [main.py:643]
{rank 0/100} MD step = 24800 step time: 00:00:00.020576 Performance: 318.886 ns/day 0.075 hours/ns 36.908 steps/s 2023-02-16 01:56:22,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24800 2480 40.521 -39458 4441.1 -43899 -43899 -0.042707 0.058156 0.0066099 12036 2023-02-16 01:56:24,626 INFO [main.py:643]
{rank 0/100} MD step = 24900 step time: 00:00:00.021748 Performance: 318.830 ns/day 0.075 hours/ns 36.902 steps/s 2023-02-16 01:56:25,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24900 2490 39.844 -39431 4366.9 -43798 -43798 -0.042907 0.057908 0.0069147 12088 2023-02-16 01:56:27,355 INFO [main.py:643]
{rank 0/100} MD step = 25000 step time: 00:00:00.020534 Performance: 318.821 ns/day 0.075 hours/ns 36.901 steps/s 2023-02-16 01:56:27,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25000 2500 40.485 -39395 4437.2 -43832 -43832 -0.044488 0.057946 0.0065908 12136 2023-02-16 01:56:29,999 INFO [main.py:643]
{rank 0/100} MD step = 25100 step time: 00:00:00.020544 Performance: 318.852 ns/day 0.075 hours/ns 36.904 steps/s 2023-02-16 01:56:30,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25100 2510 40.737 -39342 4464.8 -43807 -43807 -0.04566 0.058432 0.0069909 12185 2023-02-16 01:56:32,655 INFO [main.py:643]
{rank 0/100} MD step = 25200 step time: 00:00:00.020563 Performance: 318.877 ns/day 0.075 hours/ns 36.907 steps/s 2023-02-16 01:56:33,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25200 2520 39.941 -39491 4377.5 -43869 -43869 -0.047119 0.059108 0.0067528 12249 2023-02-16 01:56:35,329 INFO [main.py:643]
{rank 0/100} MD step = 25300 step time: 00:00:00.020502 Performance: 318.893 ns/day 0.075 hours/ns 36.909 steps/s 2023-02-16 01:56:36,018 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25300 2530 40.449 -39499 4433.2 -43933 -43933 -0.046717 0.058746 0.0069552 12289 2023-02-16 01:56:38,051 INFO [main.py:643]
{rank 0/100} MD step = 25400 step time: 00:00:00.020448 Performance: 318.887 ns/day 0.075 hours/ns 36.908 steps/s 2023-02-16 01:56:38,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25400 2540 39.844 -39464 4367 -43831 -43831 -0.046822 0.058746 0.0080385 12319 2023-02-16 01:56:40,838 INFO [main.py:643]
{rank 0/100} MD step = 25500 step time: 00:00:00.020489 Performance: 318.852 ns/day 0.075 hours/ns 36.904 steps/s 2023-02-16 01:56:41,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25500 2550 40.425 -39390 4430.7 -43820 -43820 -0.047231 0.059699 0.0080862 12364 2023-02-16 01:56:43,502 INFO [main.py:643]
{rank 0/100} MD step = 25600 step time: 00:00:00.020517 Performance: 318.873 ns/day 0.075 hours/ns 36.907 steps/s 2023-02-16 01:56:43,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25600 2560 39.895 -39464 4372.5 -43837 -43837 -0.047126 0.05967 0.0073718 12408 2023-02-16 01:56:46,191 INFO [main.py:643]
{rank 0/100} MD step = 25700 step time: 00:00:00.020530 Performance: 318.882 ns/day 0.075 hours/ns 36.908 steps/s 2023-02-16 01:56:46,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25700 2570 40.099 -39440 4394.9 -43835 -43835 -0.045964 0.059394 0.007448 12456 2023-02-16 01:56:48,936 INFO [main.py:643]
{rank 0/100} MD step = 25800 step time: 00:00:00.020608 Performance: 318.866 ns/day 0.075 hours/ns 36.906 steps/s 2023-02-16 01:56:49,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25800 2580 39.901 -39472 4373.1 -43845 -43845 -0.04545 0.05998 0.0077242 12505 2023-02-16 01:56:51,594 INFO [main.py:643]
{rank 0/100} MD step = 25900 step time: 00:00:00.020607 Performance: 318.889 ns/day 0.075 hours/ns 36.908 steps/s 2023-02-16 01:56:52,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25900 2590 40.169 -39403 4402.6 -43806 -43806 -0.047222 0.060175 0.0080005 12556 2023-02-16 01:56:54,283 INFO [main.py:643]
{rank 0/100} MD step = 26000 step time: 00:00:00.020834 Performance: 318.899 ns/day 0.075 hours/ns 36.910 steps/s 2023-02-16 01:56:54,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26000 2600 40.337 -39389 4420.9 -43810 -43810 -0.046822 0.06067 0.0076671 12600 2023-02-16 01:56:56,964 INFO [main.py:643]
{rank 0/100} MD step = 26100 step time: 00:00:00.020489 Performance: 318.911 ns/day 0.075 hours/ns 36.911 steps/s 2023-02-16 01:56:57,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26100 2610 39.958 -39533 4379.4 -43912 -43912 -0.047288 0.060441 0.0086386 12649 2023-02-16 01:56:59,638 INFO [main.py:643]
{rank 0/100} MD step = 26200 step time: 00:00:00.020362 Performance: 318.927 ns/day 0.075 hours/ns 36.913 steps/s 2023-02-16 01:57:00,316 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26200 2620 39.387 -39547 4316.9 -43864 -43864 -0.04646 0.061042 0.0094101 12692 2023-02-16 01:57:02,352 INFO [main.py:643]
{rank 0/100} MD step = 26300 step time: 00:00:00.020532 Performance: 318.925 ns/day 0.075 hours/ns 36.913 steps/s 2023-02-16 01:57:03,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26300 2630 39.587 -39527 4338.8 -43866 -43866 -0.044355 0.060575 0.010743 12743 2023-02-16 01:57:05,053 INFO [main.py:643]
{rank 0/100} MD step = 26400 step time: 00:00:00.020507 Performance: 318.929 ns/day 0.075 hours/ns 36.913 steps/s 2023-02-16 01:57:05,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26400 2640 39.246 -39544 4301.4 -43845 -43845 -0.045498 0.060575 0.012248 12785 2023-02-16 01:57:07,815 INFO [main.py:643]
{rank 0/100} MD step = 26500 step time: 00:00:00.020409 Performance: 318.905 ns/day 0.075 hours/ns 36.910 steps/s 2023-02-16 01:57:08,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26500 2650 39.222 -39485 4298.8 -43784 -43784 -0.045964 0.060394 0.012115 12859 2023-02-16 01:57:10,526 INFO [main.py:643]
{rank 0/100} MD step = 26600 step time: 00:00:00.020451 Performance: 318.904 ns/day 0.075 hours/ns 36.910 steps/s 2023-02-16 01:57:11,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26600 2660 40.403 -39392 4428.2 -43820 -43820 -0.046207 0.061003 0.01232 12897 2023-02-16 01:57:13,582 INFO [main.py:643]
{rank 0/100} MD step = 26700 step time: 00:00:00.020377 Performance: 318.751 ns/day 0.075 hours/ns 36.893 steps/s 2023-02-16 01:57:14,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26700 2670 39.934 -39481 4376.8 -43857 -43857 -0.045755 0.061318 0.012372 12934 2023-02-16 01:57:17,122 INFO [main.py:643]
{rank 0/100} MD step = 26800 step time: 00:00:00.020446 Performance: 318.388 ns/day 0.075 hours/ns 36.850 steps/s 2023-02-16 01:57:17,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26800 2680 40.241 -39415 4410.5 -43825 -43825 -0.047336 0.061489 0.012515 12991 2023-02-16 01:57:19,928 INFO [main.py:643]
{rank 0/100} MD step = 26900 step time: 00:00:00.020491 Performance: 318.348 ns/day 0.075 hours/ns 36.846 steps/s 2023-02-16 01:57:20,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26900 2690 40.333 -39350 4420.6 -43771 -43771 -0.046536 0.061337 0.013144 13045 2023-02-16 01:57:22,804 INFO [main.py:643]
{rank 0/100} MD step = 27000 step time: 00:00:00.020326 Performance: 318.277 ns/day 0.075 hours/ns 36.838 steps/s 2023-02-16 01:57:23,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27000 2700 40.685 -39437 4459.1 -43896 -43896 -0.046136 0.061637 0.014287 13079 2023-02-16 01:57:25,522 INFO [main.py:643]
{rank 0/100} MD step = 27100 step time: 00:00:00.020854 Performance: 318.276 ns/day 0.075 hours/ns 36.837 steps/s 2023-02-16 01:57:26,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27100 2710 39.526 -39576 4332.1 -43908 -43908 -0.048669 0.061594 0.014448 13128 2023-02-16 01:57:28,231 INFO [main.py:643]
{rank 0/100} MD step = 27200 step time: 00:00:00.021922 Performance: 318.278 ns/day 0.075 hours/ns 36.838 steps/s 2023-02-16 01:57:28,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27200 2720 40.184 -39378 4404.2 -43782 -43782 -0.048529 0.062061 0.01532 13188 2023-02-16 01:57:30,980 INFO [main.py:643]
{rank 0/100} MD step = 27300 step time: 00:00:00.020416 Performance: 318.263 ns/day 0.075 hours/ns 36.836 steps/s 2023-02-16 01:57:31,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27300 2730 40.184 -39397 4404.2 -43801 -43801 -0.047793 0.06247 0.015372 13240 2023-02-16 01:57:33,634 INFO [main.py:643]
{rank 0/100} MD step = 27400 step time: 00:00:00.020422 Performance: 318.289 ns/day 0.075 hours/ns 36.839 steps/s 2023-02-16 01:57:34,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27400 2740 39.948 -39402 4378.3 -43780 -43780 -0.049218 0.062604 0.016096 13298 2023-02-16 01:57:36,296 INFO [main.py:643]
{rank 0/100} MD step = 27500 step time: 00:00:00.020479 Performance: 318.312 ns/day 0.075 hours/ns 36.842 steps/s 2023-02-16 01:57:36,903 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27500 2750 39.69 -39436 4350 -43786 -43786 -0.048488 0.06168 0.015991 13344 2023-02-16 01:57:39,023 INFO [main.py:643]
{rank 0/100} MD step = 27600 step time: 00:00:00.020403 Performance: 318.307 ns/day 0.075 hours/ns 36.841 steps/s 2023-02-16 01:57:39,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27600 2760 39.735 -39494 4355 -43849 -43849 -0.048498 0.06227 0.016544 13402 2023-02-16 01:57:41,712 INFO [main.py:643]
{rank 0/100} MD step = 27700 step time: 00:00:00.020399 Performance: 318.317 ns/day 0.075 hours/ns 36.842 steps/s 2023-02-16 01:57:42,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27700 2770 39.578 -39572 4337.8 -43910 -43910 -0.048622 0.062842 0.016096 13430 2023-02-16 01:57:44,488 INFO [main.py:643]
{rank 0/100} MD step = 27800 step time: 00:00:00.020545 Performance: 318.291 ns/day 0.075 hours/ns 36.839 steps/s 2023-02-16 01:57:45,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27800 2780 39.621 -39467 4342.5 -43809 -43809 -0.048469 0.06228 0.01661 13476 2023-02-16 01:57:47,187 INFO [main.py:643]
{rank 0/100} MD step = 27900 step time: 00:00:00.020494 Performance: 318.298 ns/day 0.075 hours/ns 36.840 steps/s 2023-02-16 01:57:47,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27900 2790 39.822 -39481 4364.5 -43846 -43846 -0.047703 0.062289 0.016991 13522 2023-02-16 01:57:50,009 INFO [main.py:643]
{rank 0/100} MD step = 28000 step time: 00:00:00.020529 Performance: 318.253 ns/day 0.075 hours/ns 36.835 steps/s 2023-02-16 01:57:50,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28000 2800 39.947 -39445 4378.3 -43823 -43823 -0.047698 0.063699 0.017058 13590 2023-02-16 01:57:52,727 INFO [main.py:643]
{rank 0/100} MD step = 28100 step time: 00:00:00.020518 Performance: 318.251 ns/day 0.075 hours/ns 36.835 steps/s 2023-02-16 01:57:53,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28100 2810 39.931 -39479 4376.5 -43856 -43856 -0.046295 0.064751 0.017306 13633 2023-02-16 01:57:55,358 INFO [main.py:643]
{rank 0/100} MD step = 28200 step time: 00:00:00.020550 Performance: 318.286 ns/day 0.075 hours/ns 36.839 steps/s 2023-02-16 01:57:55,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28200 2820 39.247 -39515 4301.5 -43816 -43816 -0.046869 0.065461 0.017411 13681 2023-02-16 01:57:58,026 INFO [main.py:643]
{rank 0/100} MD step = 28300 step time: 00:00:00.020399 Performance: 318.305 ns/day 0.075 hours/ns 36.841 steps/s 2023-02-16 01:57:58,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28300 2830 40.288 -39385 4415.6 -43801 -43801 -0.045926 0.065613 0.017334 13728 2023-02-16 01:58:00,722 INFO [main.py:643]
{rank 0/100} MD step = 28400 step time: 00:00:00.020411 Performance: 318.313 ns/day 0.075 hours/ns 36.842 steps/s 2023-02-16 01:58:01,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28400 2840 40.513 -39422 4440.3 -43862 -43862 -0.043883 0.065828 0.017487 13779 2023-02-16 01:58:03,396 INFO [main.py:643]
{rank 0/100} MD step = 28500 step time: 00:00:00.020619 Performance: 318.330 ns/day 0.075 hours/ns 36.844 steps/s 2023-02-16 01:58:03,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28500 2850 39.659 -39511 4346.7 -43858 -43858 -0.042736 0.065732 0.017991 13818 2023-02-16 01:58:06,022 INFO [main.py:643]
{rank 0/100} MD step = 28600 step time: 00:00:00.020463 Performance: 318.366 ns/day 0.075 hours/ns 36.848 steps/s 2023-02-16 01:58:06,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28600 2860 39.898 -39526 4372.9 -43898 -43898 -0.04406 0.065718 0.018115 13888 2023-02-16 01:58:08,698 INFO [main.py:643]
{rank 0/100} MD step = 28700 step time: 00:00:00.020515 Performance: 318.381 ns/day 0.075 hours/ns 36.850 steps/s 2023-02-16 01:58:09,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28700 2870 40.388 -39390 4426.6 -43817 -43817 -0.044707 0.064918 0.018401 13931 2023-02-16 01:58:11,400 INFO [main.py:643]
{rank 0/100} MD step = 28800 step time: 00:00:00.020491 Performance: 318.386 ns/day 0.075 hours/ns 36.850 steps/s 2023-02-16 01:58:12,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28800 2880 39.68 -39478 4349 -43827 -43827 -0.045522 0.064466 0.018972 13968 2023-02-16 01:58:14,204 INFO [main.py:643]
{rank 0/100} MD step = 28900 step time: 00:00:00.020808 Performance: 318.349 ns/day 0.075 hours/ns 36.846 steps/s 2023-02-16 01:58:14,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28900 2890 39.573 -39436 4337.3 -43773 -43773 -0.045155 0.064451 0.019401 14033 2023-02-16 01:58:16,911 INFO [main.py:643]
{rank 0/100} MD step = 29000 step time: 00:00:00.020805 Performance: 318.352 ns/day 0.075 hours/ns 36.846 steps/s 2023-02-16 01:58:17,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29000 2900 39.947 -39477 4378.3 -43856 -43856 -0.045107 0.064342 0.02042 14083 2023-02-16 01:58:19,720 INFO [main.py:643]
{rank 0/100} MD step = 29100 step time: 00:00:00.020462 Performance: 318.314 ns/day 0.075 hours/ns 36.842 steps/s 2023-02-16 01:58:20,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29100 2910 39.925 -39417 4375.8 -43793 -43793 -0.045393 0.064099 0.021268 14140 2023-02-16 01:58:22,379 INFO [main.py:643]
{rank 0/100} MD step = 29200 step time: 00:00:00.020475 Performance: 318.336 ns/day 0.075 hours/ns 36.844 steps/s 2023-02-16 01:58:22,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29200 2920 39.891 -39482 4372.2 -43854 -43854 -0.045945 0.064242 0.021487 14170 2023-02-16 01:58:25,073 INFO [main.py:643]
{rank 0/100} MD step = 29300 step time: 00:00:00.020394 Performance: 318.344 ns/day 0.075 hours/ns 36.845 steps/s 2023-02-16 01:58:25,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29300 2930 40.261 -39437 4412.6 -43850 -43850 -0.046003 0.064508 0.021735 14229 2023-02-16 01:58:27,811 INFO [main.py:643]
{rank 0/100} MD step = 29400 step time: 00:00:00.020467 Performance: 318.335 ns/day 0.075 hours/ns 36.844 steps/s 2023-02-16 01:58:28,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29400 2940 40.6 -39403 4449.8 -43853 -43853 -0.046365 0.064861 0.021868 14276 2023-02-16 01:58:30,506 INFO [main.py:643]
{rank 0/100} MD step = 29500 step time: 00:00:00.020503 Performance: 318.342 ns/day 0.075 hours/ns 36.845 steps/s 2023-02-16 01:58:31,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29500 2950 39.914 -39458 4374.6 -43833 -43833 -0.046393 0.064689 0.02223 14329 2023-02-16 01:58:33,187 INFO [main.py:643]
{rank 0/100} MD step = 29600 step time: 00:00:00.020427 Performance: 318.355 ns/day 0.075 hours/ns 36.847 steps/s 2023-02-16 01:58:33,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29600 2960 39.914 -39410 4374.7 -43784 -43784 -0.046326 0.064327 0.022249 14384 2023-02-16 01:58:35,870 INFO [main.py:643]
{rank 0/100} MD step = 29700 step time: 00:00:00.020464 Performance: 318.368 ns/day 0.075 hours/ns 36.848 steps/s 2023-02-16 01:58:36,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29700 2970 40.083 -39390 4393.1 -43783 -43783 -0.047165 0.064527 0.021315 14444 2023-02-16 01:58:38,548 INFO [main.py:643]
{rank 0/100} MD step = 29800 step time: 00:00:00.020436 Performance: 318.382 ns/day 0.075 hours/ns 36.850 steps/s 2023-02-16 01:58:39,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29800 2980 40.539 -39407 4443.2 -43850 -43850 -0.046393 0.065861 0.020744 14498 2023-02-16 01:58:41,178 INFO [main.py:643]
{rank 0/100} MD step = 29900 step time: 00:00:00.020821 Performance: 318.415 ns/day 0.075 hours/ns 36.854 steps/s 2023-02-16 01:58:41,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29900 2990 39.245 -39491 4301.3 -43793 -43793 -0.045988 0.066328 0.021563 14559 2023-02-16 01:58:43,839 INFO [main.py:643]
{rank 0/100} MD step = 30000 step time: 00:00:00.020427 Performance: 318.435 ns/day 0.075 hours/ns 36.856 steps/s 2023-02-16 01:58:44,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30000 3000 40.005 -39416 4384.6 -43800 -43800 -0.043774 0.066604 0.021582 14595 2023-02-16 01:58:46,518 INFO [main.py:643]
{rank 0/100} MD step = 30100 step time: 00:00:00.020455 Performance: 318.448 ns/day 0.075 hours/ns 36.857 steps/s 2023-02-16 01:58:46,985 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30100 3010 40.735 -39390 4464.6 -43854 -43854 -0.045017 0.066747 0.02133 14630 2023-02-16 01:58:49,195 INFO [main.py:643]
{rank 0/100} MD step = 30200 step time: 00:00:00.020369 Performance: 318.462 ns/day 0.075 hours/ns 36.859 steps/s 2023-02-16 01:58:49,846 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30200 3020 40.108 -39510 4395.9 -43906 -43906 -0.045381 0.066709 0.021468 14686 2023-02-16 01:58:51,874 INFO [main.py:643]
{rank 0/100} MD step = 30300 step time: 00:00:00.020335 Performance: 318.476 ns/day 0.075 hours/ns 36.861 steps/s 2023-02-16 01:58:52,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30300 3030 40.164 -39468 4402.1 -43870 -43870 -0.043888 0.066204 0.021315 14731 2023-02-16 01:58:54,652 INFO [main.py:643]
{rank 0/100} MD step = 30400 step time: 00:00:00.020382 Performance: 318.451 ns/day 0.075 hours/ns 36.858 steps/s 2023-02-16 01:58:55,289 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30400 3040 40.305 -39464 4417.5 -43882 -43882 -0.044183 0.065661 0.021201 14777 2023-02-16 01:58:57,317 INFO [main.py:643]
{rank 0/100} MD step = 30500 step time: 00:00:00.020473 Performance: 318.469 ns/day 0.075 hours/ns 36.860 steps/s 2023-02-16 01:58:57,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30500 3050 39.615 -39497 4341.8 -43839 -43839 -0.042698 0.065713 0.021354 14832 2023-02-16 01:59:00,030 INFO [main.py:643]
{rank 0/100} MD step = 30600 step time: 00:00:00.020492 Performance: 318.469 ns/day 0.075 hours/ns 36.860 steps/s 2023-02-16 01:59:00,618 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30600 3060 40.359 -39470 4423.3 -43893 -43893 -0.042421 0.066699 0.021906 14885 2023-02-16 01:59:02,723 INFO [main.py:643]
{rank 0/100} MD step = 30700 step time: 00:00:00.020678 Performance: 318.477 ns/day 0.075 hours/ns 36.861 steps/s 2023-02-16 01:59:03,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30700 3070 39.977 -39523 4381.5 -43905 -43905 -0.041426 0.067432 0.022992 14923 2023-02-16 01:59:05,498 INFO [main.py:643]
{rank 0/100} MD step = 30800 step time: 00:00:00.020467 Performance: 318.453 ns/day 0.075 hours/ns 36.858 steps/s 2023-02-16 01:59:06,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30800 3080 39.577 -39546 4337.7 -43884 -43884 -0.04244 0.067623 0.023582 14993 2023-02-16 01:59:08,190 INFO [main.py:643]
{rank 0/100} MD step = 30900 step time: 00:00:00.021821 Performance: 318.461 ns/day 0.075 hours/ns 36.859 steps/s 2023-02-16 01:59:08,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30900 3090 40.392 -39457 4427 -43884 -43884 -0.041945 0.068185 0.023135 15022 2023-02-16 01:59:10,819 INFO [main.py:643]
{rank 0/100} MD step = 31000 step time: 00:00:00.020589 Performance: 318.493 ns/day 0.075 hours/ns 36.863 steps/s 2023-02-16 01:59:11,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31000 3100 40.087 -39491 4393.6 -43884 -43884 -0.042288 0.068937 0.023306 15072 2023-02-16 01:59:13,488 INFO [main.py:643]
{rank 0/100} MD step = 31100 step time: 00:00:00.020547 Performance: 318.509 ns/day 0.075 hours/ns 36.865 steps/s 2023-02-16 01:59:14,111 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31100 3110 40.539 -39436 4443.2 -43879 -43879 -0.040602 0.068537 0.022306 15111 2023-02-16 01:59:16,148 INFO [main.py:643]
{rank 0/100} MD step = 31200 step time: 00:00:00.020379 Performance: 318.529 ns/day 0.075 hours/ns 36.867 steps/s 2023-02-16 01:59:16,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31200 3120 40.338 -39373 4421.1 -43794 -43794 -0.040755 0.068613 0.021544 15179 2023-02-16 01:59:18,812 INFO [main.py:643]
{rank 0/100} MD step = 31300 step time: 00:00:00.020424 Performance: 318.547 ns/day 0.075 hours/ns 36.869 steps/s 2023-02-16 01:59:19,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31300 3130 40.089 -39390 4393.8 -43784 -43784 -0.040612 0.06828 0.020915 15220 2023-02-16 01:59:21,452 INFO [main.py:643]
{rank 0/100} MD step = 31400 step time: 00:00:00.020477 Performance: 318.574 ns/day 0.075 hours/ns 36.872 steps/s 2023-02-16 01:59:22,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31400 3140 39.835 -39437 4365.9 -43802 -43802 -0.041659 0.068842 0.020992 15260 2023-02-16 01:59:24,371 INFO [main.py:643]
{rank 0/100} MD step = 31500 step time: 00:00:00.021933 Performance: 318.497 ns/day 0.075 hours/ns 36.863 steps/s 2023-02-16 01:59:24,746 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31500 3150 39.726 -39470 4354.1 -43824 -43824 -0.044207 0.068747 0.021049 15308 2023-02-16 01:59:27,120 INFO [main.py:643]
{rank 0/100} MD step = 31600 step time: 00:00:00.020307 Performance: 318.484 ns/day 0.075 hours/ns 36.862 steps/s 2023-02-16 01:59:27,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31600 3160 39.318 -39508 4309.3 -43818 -43818 -0.045007 0.068766 0.021616 15365 2023-02-16 01:59:29,930 INFO [main.py:643]
{rank 0/100} MD step = 31700 step time: 00:00:00.020343 Performance: 318.448 ns/day 0.075 hours/ns 36.857 steps/s 2023-02-16 01:59:30,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31700 3170 39.783 -39421 4360.3 -43781 -43781 -0.046365 0.069223 0.021849 15412 2023-02-16 01:59:32,584 INFO [main.py:643]
{rank 0/100} MD step = 31800 step time: 00:00:00.020457 Performance: 318.470 ns/day 0.075 hours/ns 36.860 steps/s 2023-02-16 01:59:33,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31800 3180 40.243 -39502 4410.7 -43913 -43913 -0.046603 0.069023 0.021639 15435 2023-02-16 01:59:35,286 INFO [main.py:643]
{rank 0/100} MD step = 31900 step time: 00:00:00.020664 Performance: 318.474 ns/day 0.075 hours/ns 36.860 steps/s 2023-02-16 01:59:35,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31900 3190 40.231 -39432 4409.3 -43842 -43842 -0.046365 0.068004 0.021544 15507 2023-02-16 01:59:37,921 INFO [main.py:643]
{rank 0/100} MD step = 32000 step time: 00:00:00.020430 Performance: 318.502 ns/day 0.075 hours/ns 36.864 steps/s 2023-02-16 01:59:38,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32000 3200 39.831 -39461 4365.5 -43827 -43827 -0.047074 0.068251 0.020858 15537 2023-02-16 01:59:40,891 INFO [main.py:643]
{rank 0/100} MD step = 32100 step time: 00:00:00.022844 Performance: 318.408 ns/day 0.075 hours/ns 36.853 steps/s 2023-02-16 01:59:41,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32100 3210 40.552 -39362 4444.5 -43807 -43807 -0.047155 0.068628 0.02083 15583 2023-02-16 01:59:43,742 INFO [main.py:643]
{rank 0/100} MD step = 32200 step time: 00:00:00.020884 Performance: 318.358 ns/day 0.075 hours/ns 36.847 steps/s 2023-02-16 01:59:44,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32200 3220 39.628 -39508 4343.2 -43851 -43851 -0.046198 0.068004 0.020515 15624 2023-02-16 01:59:46,385 INFO [main.py:643]
{rank 0/100} MD step = 32300 step time: 00:00:00.020437 Performance: 318.384 ns/day 0.075 hours/ns 36.850 steps/s 2023-02-16 01:59:46,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32300 3230 40.3 -39390 4416.9 -43806 -43806 -0.047212 0.068823 0.020611 15678 2023-02-16 01:59:49,064 INFO [main.py:643]
{rank 0/100} MD step = 32400 step time: 00:00:00.020513 Performance: 318.396 ns/day 0.075 hours/ns 36.851 steps/s 2023-02-16 01:59:49,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32400 3240 39.892 -39420 4372.2 -43792 -43792 -0.047374 0.068861 0.020515 15721 2023-02-16 01:59:51,723 INFO [main.py:643]
{rank 0/100} MD step = 32500 step time: 00:00:00.020430 Performance: 318.416 ns/day 0.075 hours/ns 36.854 steps/s 2023-02-16 01:59:52,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32500 3250 39.911 -39500 4374.3 -43874 -43874 -0.048607 0.068961 0.020992 15767 2023-02-16 01:59:54,401 INFO [main.py:643]
{rank 0/100} MD step = 32600 step time: 00:00:00.020441 Performance: 318.429 ns/day 0.075 hours/ns 36.855 steps/s 2023-02-16 01:59:54,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32600 3260 40.225 -39423 4408.7 -43831 -43831 -0.04905 0.06869 0.021144 15821 2023-02-16 01:59:57,142 INFO [main.py:643]
{rank 0/100} MD step = 32700 step time: 00:00:00.020365 Performance: 318.419 ns/day 0.075 hours/ns 36.854 steps/s 2023-02-16 01:59:57,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32700 3270 40.53 -39416 4442.1 -43858 -43858 -0.05006 0.069128 0.021268 15864 2023-02-16 02:00:00,169 INFO [main.py:643]
{rank 0/100} MD step = 32800 step time: 00:00:00.022037 Performance: 318.307 ns/day 0.075 hours/ns 36.841 steps/s 2023-02-16 02:00:00,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32800 3280 39.93 -39408 4376.4 -43785 -43785 -0.049622 0.069933 0.020925 15909 2023-02-16 02:00:02,936 INFO [main.py:643]
{rank 0/100} MD step = 32900 step time: 00:00:00.020585 Performance: 318.288 ns/day 0.075 hours/ns 36.839 steps/s 2023-02-16 02:00:03,457 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32900 3290 40.359 -39486 4423.4 -43909 -43909 -0.049793 0.071599 0.021506 15960 2023-02-16 02:00:05,619 INFO [main.py:643]
{rank 0/100} MD step = 33000 step time: 00:00:00.024649 Performance: 318.299 ns/day 0.075 hours/ns 36.840 steps/s 2023-02-16 02:00:06,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33000 3300 39.472 -39501 4326.2 -43827 -43827 -0.049612 0.071328 0.021816 16018 2023-02-16 02:00:08,334 INFO [main.py:643]
{rank 0/100} MD step = 33100 step time: 00:00:00.021795 Performance: 318.299 ns/day 0.075 hours/ns 36.840 steps/s 2023-02-16 02:00:08,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33100 3310 40.461 -39449 4434.6 -43884 -43884 -0.050784 0.072175 0.022187 16064 2023-02-16 02:00:11,011 INFO [main.py:643]
{rank 0/100} MD step = 33200 step time: 00:00:00.020526 Performance: 318.312 ns/day 0.075 hours/ns 36.842 steps/s 2023-02-16 02:00:11,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33200 3320 39.897 -39503 4372.8 -43875 -43875 -0.050993 0.071528 0.022435 16119 2023-02-16 02:00:13,660 INFO [main.py:643]
{rank 0/100} MD step = 33300 step time: 00:00:00.020385 Performance: 318.335 ns/day 0.075 hours/ns 36.844 steps/s 2023-02-16 02:00:14,307 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33300 3330 40.029 -39399 4387.3 -43786 -43786 -0.049355 0.07189 0.022363 16183 2023-02-16 02:00:16,429 INFO [main.py:643]
{rank 0/100} MD step = 33400 step time: 00:00:00.020478 Performance: 318.316 ns/day 0.075 hours/ns 36.842 steps/s 2023-02-16 02:00:17,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33400 3340 40.403 -39418 4428.2 -43846 -43846 -0.04846 0.073623 0.022716 16242 2023-02-16 02:00:19,105 INFO [main.py:643]
{rank 0/100} MD step = 33500 step time: 00:00:00.020536 Performance: 318.329 ns/day 0.075 hours/ns 36.844 steps/s 2023-02-16 02:00:19,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33500 3350 39.891 -39484 4372.1 -43856 -43856 -0.047393 0.074566 0.023068 16284 2023-02-16 02:00:21,769 INFO [main.py:643]
{rank 0/100} MD step = 33600 step time: 00:00:00.020511 Performance: 318.347 ns/day 0.075 hours/ns 36.846 steps/s 2023-02-16 02:00:22,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33600 3360 40.44 -39402 4432.3 -43834 -43834 -0.04945 0.07528 0.022763 16341 2023-02-16 02:00:24,835 INFO [main.py:643]
{rank 0/100} MD step = 33700 step time: 00:00:00.020663 Performance: 318.225 ns/day 0.075 hours/ns 36.832 steps/s 2023-02-16 02:00:25,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33700 3370 39.141 -39473 4289.9 -43763 -43763 -0.048943 0.07528 0.023125 16397 2023-02-16 02:00:27,486 INFO [main.py:643]
{rank 0/100} MD step = 33800 step time: 00:00:00.020502 Performance: 318.247 ns/day 0.075 hours/ns 36.834 steps/s 2023-02-16 02:00:27,929 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33800 3380 40.509 -39378 4439.9 -43817 -43817 -0.049046 0.075528 0.02343 16443 2023-02-16 02:00:30,148 INFO [main.py:643]
{rank 0/100} MD step = 33900 step time: 00:00:00.020499 Performance: 318.265 ns/day 0.075 hours/ns 36.836 steps/s 2023-02-16 02:00:30,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33900 3390 40.473 -39433 4435.9 -43869 -43869 -0.050679 0.075109 0.023258 16489 2023-02-16 02:00:32,891 INFO [main.py:643]
{rank 0/100} MD step = 34000 step time: 00:00:00.028116 Performance: 318.255 ns/day 0.075 hours/ns 36.835 steps/s 2023-02-16 02:00:33,567 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34000 3400 39.28 -39537 4305.2 -43842 -43842 -0.051041 0.075985 0.023458 16531 2023-02-16 02:00:35,783 INFO [main.py:643]
{rank 0/100} MD step = 34100 step time: 00:00:00.020507 Performance: 318.194 ns/day 0.075 hours/ns 36.828 steps/s 2023-02-16 02:00:36,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34100 3410 39.995 -39482 4383.5 -43865 -43865 -0.05126 0.07645 0.023335 16572 2023-02-16 02:00:38,465 INFO [main.py:643]
{rank 0/100} MD step = 34200 step time: 00:00:00.020487 Performance: 318.206 ns/day 0.075 hours/ns 36.829 steps/s 2023-02-16 02:00:38,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34200 3420 39.876 -39456 4370.4 -43827 -43827 -0.05056 0.077242 0.023773 16626 2023-02-16 02:00:41,116 INFO [main.py:643]
{rank 0/100} MD step = 34300 step time: 00:00:00.020550 Performance: 318.228 ns/day 0.075 hours/ns 36.832 steps/s 2023-02-16 02:00:41,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34300 3430 41.037 -39283 4497.7 -43781 -43781 -0.048503 0.076681 0.024468 16674 2023-02-16 02:00:43,775 INFO [main.py:643]
{rank 0/100} MD step = 34400 step time: 00:00:00.020669 Performance: 318.247 ns/day 0.075 hours/ns 36.834 steps/s 2023-02-16 02:00:44,249 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34400 3440 40.709 -39289 4461.7 -43750 -43750 -0.04846 0.076366 0.025249 16717 2023-02-16 02:00:46,459 INFO [main.py:643]
{rank 0/100} MD step = 34500 step time: 00:00:00.020633 Performance: 318.257 ns/day 0.075 hours/ns 36.835 steps/s 2023-02-16 02:00:47,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34500 3450 40.398 -39360 4427.6 -43787 -43787 -0.04686 0.076433 0.026068 16758 2023-02-16 02:00:49,118 INFO [main.py:643]
{rank 0/100} MD step = 34600 step time: 00:00:00.020511 Performance: 318.276 ns/day 0.075 hours/ns 36.838 steps/s 2023-02-16 02:00:49,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34600 3460 40.146 -39407 4400.1 -43807 -43807 -0.046784 0.07608 0.026506 16814 2023-02-16 02:00:51,859 INFO [main.py:643]
{rank 0/100} MD step = 34700 step time: 00:00:00.020583 Performance: 318.267 ns/day 0.075 hours/ns 36.836 steps/s 2023-02-16 02:00:52,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34700 3470 40.112 -39405 4396.3 -43801 -43801 -0.048069 0.075547 0.026011 16857 2023-02-16 02:00:55,086 INFO [main.py:643]
{rank 0/100} MD step = 34800 step time: 00:00:00.020658 Performance: 318.095 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:00:55,716 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34800 3480 40.009 -39360 4385 -43745 -43745 -0.047469 0.075404 0.025735 16917 2023-02-16 02:00:57,787 INFO [main.py:643]
{rank 0/100} MD step = 34900 step time: 00:00:00.020384 Performance: 318.100 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:00:58,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34900 3490 39.331 -39545 4310.7 -43856 -43856 -0.046555 0.07589 0.025925 16966 2023-02-16 02:01:00,430 INFO [main.py:643]
{rank 0/100} MD step = 35000 step time: 00:00:00.020516 Performance: 318.124 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:01:01,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35000 3500 39.955 -39483 4379.1 -43862 -43862 -0.044841 0.075319 0.026706 17024 2023-02-16 02:01:03,127 INFO [main.py:643]
{rank 0/100} MD step = 35100 step time: 00:00:00.020476 Performance: 318.131 ns/day 0.075 hours/ns 36.821 steps/s 2023-02-16 02:01:03,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35100 3510 40.664 -39382 4456.8 -43838 -43838 -0.04286 0.075128 0.027678 17060 2023-02-16 02:01:05,862 INFO [main.py:643]
{rank 0/100} MD step = 35200 step time: 00:00:00.020414 Performance: 318.124 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:01:06,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35200 3520 39.881 -39457 4371 -43828 -43828 -0.044002 0.074995 0.02804 17105 2023-02-16 02:01:08,531 INFO [main.py:643]
{rank 0/100} MD step = 35300 step time: 00:00:00.020429 Performance: 318.140 ns/day 0.075 hours/ns 36.822 steps/s 2023-02-16 02:01:08,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35300 3530 40.195 -39387 4405.4 -43792 -43792 -0.045526 0.075771 0.027302 17150 2023-02-16 02:01:11,183 INFO [main.py:643]
{rank 0/100} MD step = 35400 step time: 00:00:00.020621 Performance: 318.161 ns/day 0.075 hours/ns 36.824 steps/s 2023-02-16 02:01:11,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35400 3540 40.68 -39424 4458.6 -43882 -43882 -0.047593 0.076309 0.02743 17199 2023-02-16 02:01:13,881 INFO [main.py:643]
{rank 0/100} MD step = 35500 step time: 00:00:00.020571 Performance: 318.167 ns/day 0.075 hours/ns 36.825 steps/s 2023-02-16 02:01:14,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35500 3550 40.507 -39345 4439.6 -43785 -43785 -0.047126 0.076614 0.026954 17252 2023-02-16 02:01:16,586 INFO [main.py:643]
{rank 0/100} MD step = 35600 step time: 00:00:00.020494 Performance: 318.170 ns/day 0.075 hours/ns 36.825 steps/s 2023-02-16 02:01:17,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35600 3560 39.957 -39472 4379.4 -43852 -43852 -0.046312 0.076595 0.028059 17286 2023-02-16 02:01:19,293 INFO [main.py:643]
{rank 0/100} MD step = 35700 step time: 00:00:00.020393 Performance: 318.173 ns/day 0.075 hours/ns 36.826 steps/s 2023-02-16 02:01:19,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35700 3570 39.538 -39571 4333.4 -43904 -43904 -0.046155 0.075852 0.027449 17340 2023-02-16 02:01:21,956 INFO [main.py:643]
{rank 0/100} MD step = 35800 step time: 00:00:00.020260 Performance: 318.190 ns/day 0.075 hours/ns 36.828 steps/s 2023-02-16 02:01:22,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35800 3580 40.038 -39491 4388.2 -43880 -43880 -0.044841 0.076614 0.028344 17393 2023-02-16 02:01:24,630 INFO [main.py:643]
{rank 0/100} MD step = 35900 step time: 00:00:00.020458 Performance: 318.204 ns/day 0.075 hours/ns 36.829 steps/s 2023-02-16 02:01:25,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35900 3590 40.627 -39441 4452.8 -43894 -43894 -0.045564 0.07549 0.028354 17452 2023-02-16 02:01:27,335 INFO [main.py:643]
{rank 0/100} MD step = 36000 step time: 00:00:00.020545 Performance: 318.207 ns/day 0.075 hours/ns 36.830 steps/s 2023-02-16 02:01:27,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36000 3600 39.767 -39410 4358.5 -43769 -43769 -0.047526 0.076404 0.028992 17495 2023-02-16 02:01:30,035 INFO [main.py:643]
{rank 0/100} MD step = 36100 step time: 00:00:00.020409 Performance: 318.212 ns/day 0.075 hours/ns 36.830 steps/s 2023-02-16 02:01:30,732 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36100 3610 39.936 -39407 4377 -43784 -43784 -0.047984 0.076452 0.028478 17522 2023-02-16 02:01:32,773 INFO [main.py:643]
{rank 0/100} MD step = 36200 step time: 00:00:00.020527 Performance: 318.205 ns/day 0.075 hours/ns 36.829 steps/s 2023-02-16 02:01:33,258 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36200 3620 39.707 -39463 4352 -43815 -43815 -0.04766 0.076961 0.028335 17568 2023-02-16 02:01:35,447 INFO [main.py:643]
{rank 0/100} MD step = 36300 step time: 00:00:00.020456 Performance: 318.218 ns/day 0.075 hours/ns 36.831 steps/s 2023-02-16 02:01:36,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36300 3630 40.035 -39434 4387.9 -43822 -43822 -0.04766 0.077242 0.027302 17619 2023-02-16 02:01:38,187 INFO [main.py:643]
{rank 0/100} MD step = 36400 step time: 00:00:00.021815 Performance: 318.210 ns/day 0.075 hours/ns 36.830 steps/s 2023-02-16 02:01:38,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36400 3640 39.774 -39518 4359.3 -43877 -43877 -0.051136 0.078528 0.02683 17657 2023-02-16 02:01:40,876 INFO [main.py:643]
{rank 0/100} MD step = 36500 step time: 00:00:00.020679 Performance: 318.218 ns/day 0.075 hours/ns 36.831 steps/s 2023-02-16 02:01:41,513 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36500 3650 39.789 -39510 4360.9 -43871 -43871 -0.05147 0.078366 0.027721 17705 2023-02-16 02:01:43,542 INFO [main.py:643]
{rank 0/100} MD step = 36600 step time: 00:00:00.020334 Performance: 318.234 ns/day 0.075 hours/ns 36.833 steps/s 2023-02-16 02:01:44,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36600 3660 39.667 -39472 4347.5 -43820 -43820 -0.051603 0.078052 0.028016 17748 2023-02-16 02:01:46,217 INFO [main.py:643]
{rank 0/100} MD step = 36700 step time: 00:00:00.020527 Performance: 318.247 ns/day 0.075 hours/ns 36.834 steps/s 2023-02-16 02:01:46,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36700 3670 39.473 -39505 4326.3 -43831 -43831 -0.051255 0.078395 0.02783 17798 2023-02-16 02:01:48,896 INFO [main.py:643]
{rank 0/100} MD step = 36800 step time: 00:00:00.020437 Performance: 318.258 ns/day 0.075 hours/ns 36.835 steps/s 2023-02-16 02:01:49,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36800 3680 40.095 -39405 4394.5 -43799 -43799 -0.051536 0.077261 0.027335 17837 2023-02-16 02:01:51,641 INFO [main.py:643]
{rank 0/100} MD step = 36900 step time: 00:00:00.020404 Performance: 318.249 ns/day 0.075 hours/ns 36.834 steps/s 2023-02-16 02:01:52,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36900 3690 40.816 -39283 4473.5 -43757 -43757 -0.051431 0.077281 0.027202 17876 2023-02-16 02:01:54,255 INFO [main.py:643]
{rank 0/100} MD step = 37000 step time: 00:00:00.020423 Performance: 318.281 ns/day 0.075 hours/ns 36.838 steps/s 2023-02-16 02:01:54,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37000 3700 40.697 -39314 4460.5 -43775 -43775 -0.052298 0.076481 0.027235 17959 2023-02-16 02:01:56,905 INFO [main.py:643]
{rank 0/100} MD step = 37100 step time: 00:00:00.020442 Performance: 318.301 ns/day 0.075 hours/ns 36.840 steps/s 2023-02-16 02:01:57,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37100 3710 40.308 -39452 4417.8 -43870 -43870 -0.05206 0.075585 0.026421 17974 2023-02-16 02:01:59,587 INFO [main.py:643]
{rank 0/100} MD step = 37200 step time: 00:00:00.020411 Performance: 318.311 ns/day 0.075 hours/ns 36.842 steps/s 2023-02-16 02:02:00,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37200 3720 39.558 -39520 4335.6 -43856 -43856 -0.052298 0.075623 0.026744 18023 2023-02-16 02:02:02,284 INFO [main.py:643]
{rank 0/100} MD step = 37300 step time: 00:00:00.020401 Performance: 318.317 ns/day 0.075 hours/ns 36.842 steps/s 2023-02-16 02:02:02,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37300 3730 39.707 -39495 4352 -43847 -43847 -0.051946 0.075611 0.027487 18082 2023-02-16 02:02:05,054 INFO [main.py:643]
{rank 0/100} MD step = 37400 step time: 00:00:00.020598 Performance: 318.299 ns/day 0.075 hours/ns 36.840 steps/s 2023-02-16 02:02:05,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37400 3740 39.633 -39504 4343.8 -43848 -43848 -0.05107 0.075852 0.027082 18128 2023-02-16 02:02:07,754 INFO [main.py:643]
{rank 0/100} MD step = 37500 step time: 00:00:00.020491 Performance: 318.304 ns/day 0.075 hours/ns 36.841 steps/s 2023-02-16 02:02:08,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37500 3750 40.648 -39336 4455.1 -43791 -43791 -0.05067 0.076766 0.028383 18168 2023-02-16 02:02:10,399 INFO [main.py:643]
{rank 0/100} MD step = 37600 step time: 00:00:00.020430 Performance: 318.325 ns/day 0.075 hours/ns 36.843 steps/s 2023-02-16 02:02:11,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37600 3760 39.947 -39464 4378.3 -43842 -43842 -0.051412 0.076804 0.027583 18223 2023-02-16 02:02:13,097 INFO [main.py:643]
{rank 0/100} MD step = 37700 step time: 00:00:00.020416 Performance: 318.330 ns/day 0.075 hours/ns 36.844 steps/s 2023-02-16 02:02:13,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37700 3770 40.513 -39411 4440.3 -43852 -43852 -0.051179 0.076309 0.027506 18279 2023-02-16 02:02:15,788 INFO [main.py:643]
{rank 0/100} MD step = 37800 step time: 00:00:00.020576 Performance: 318.338 ns/day 0.075 hours/ns 36.845 steps/s 2023-02-16 02:02:16,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37800 3780 40.26 -39450 4412.5 -43862 -43862 -0.051031 0.076604 0.027082 18321 2023-02-16 02:02:18,455 INFO [main.py:643]
{rank 0/100} MD step = 37900 step time: 00:00:00.020429 Performance: 318.352 ns/day 0.075 hours/ns 36.846 steps/s 2023-02-16 02:02:19,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37900 3790 40.313 -39347 4418.3 -43765 -43765 -0.051312 0.077566 0.026325 18369 2023-02-16 02:02:21,107 INFO [main.py:643]
{rank 0/100} MD step = 38000 step time: 00:00:00.020418 Performance: 318.371 ns/day 0.075 hours/ns 36.849 steps/s 2023-02-16 02:02:21,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38000 3800 40.182 -39365 4404 -43769 -43769 -0.049127 0.078462 0.025925 18414 2023-02-16 02:02:23,705 INFO [main.py:643]
{rank 0/100} MD step = 38100 step time: 00:00:00.020400 Performance: 318.407 ns/day 0.075 hours/ns 36.853 steps/s 2023-02-16 02:02:24,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38100 3810 39.704 -39481 4351.6 -43832 -43832 -0.049003 0.078633 0.025754 18462 2023-02-16 02:02:26,399 INFO [main.py:643]
{rank 0/100} MD step = 38200 step time: 00:00:00.020425 Performance: 318.413 ns/day 0.075 hours/ns 36.853 steps/s 2023-02-16 02:02:27,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38200 3820 40.309 -39402 4418 -43820 -43820 -0.04926 0.079319 0.026421 18515 2023-02-16 02:02:29,156 INFO [main.py:643]
{rank 0/100} MD step = 38300 step time: 00:00:00.020593 Performance: 318.400 ns/day 0.075 hours/ns 36.852 steps/s 2023-02-16 02:02:29,801 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38300 3830 40.481 -39355 4436.7 -43792 -43792 -0.050069 0.079404 0.027392 18568 2023-02-16 02:02:31,837 INFO [main.py:643]
{rank 0/100} MD step = 38400 step time: 00:00:00.020476 Performance: 318.409 ns/day 0.075 hours/ns 36.853 steps/s 2023-02-16 02:02:32,343 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38400 3840 40.257 -39410 4412.2 -43822 -43822 -0.051574 0.080564 0.027487 18620 2023-02-16 02:02:34,585 INFO [main.py:643]
{rank 0/100} MD step = 38500 step time: 00:00:00.020637 Performance: 318.399 ns/day 0.075 hours/ns 36.852 steps/s 2023-02-16 02:02:35,071 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38500 3850 40.252 -39326 4411.7 -43738 -43738 -0.051355 0.080424 0.027685 18681 2023-02-16 02:02:37,226 INFO [main.py:643]
{rank 0/100} MD step = 38600 step time: 00:00:00.020566 Performance: 318.421 ns/day 0.075 hours/ns 36.854 steps/s 2023-02-16 02:02:37,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38600 3860 39.992 -39443 4383.2 -43827 -43827 -0.051603 0.080976 0.02884 18732 2023-02-16 02:02:40,049 INFO [main.py:643]
{rank 0/100} MD step = 38700 step time: 00:00:00.020462 Performance: 318.388 ns/day 0.075 hours/ns 36.850 steps/s 2023-02-16 02:02:40,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38700 3870 39.803 -39425 4362.4 -43787 -43787 -0.052212 0.081757 0.029175 18791 2023-02-16 02:02:42,722 INFO [main.py:643]
{rank 0/100} MD step = 38800 step time: 00:00:00.020480 Performance: 318.400 ns/day 0.075 hours/ns 36.852 steps/s 2023-02-16 02:02:43,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38800 3880 39.516 -39515 4331 -43846 -43846 -0.052727 0.082481 0.029411 18847 2023-02-16 02:02:45,389 INFO [main.py:643]
{rank 0/100} MD step = 38900 step time: 00:00:00.020485 Performance: 318.414 ns/day 0.075 hours/ns 36.853 steps/s 2023-02-16 02:02:46,039 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38900 3890 39.378 -39546 4315.9 -43862 -43862 -0.052298 0.082824 0.029106 18890 2023-02-16 02:02:48,073 INFO [main.py:643]
{rank 0/100} MD step = 39000 step time: 00:00:00.020590 Performance: 318.423 ns/day 0.075 hours/ns 36.855 steps/s 2023-02-16 02:02:48,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39000 3900 40.071 -39472 4391.9 -43864 -43864 -0.05366 0.082938 0.029087 18931 2023-02-16 02:02:50,832 INFO [main.py:643]
{rank 0/100} MD step = 39100 step time: 00:00:00.020409 Performance: 318.409 ns/day 0.075 hours/ns 36.853 steps/s 2023-02-16 02:02:51,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39100 3910 39.704 -39504 4351.6 -43856 -43856 -0.052284 0.083119 0.02854 18985 2023-02-16 02:02:53,466 INFO [main.py:643]
{rank 0/100} MD step = 39200 step time: 00:00:00.020398 Performance: 318.433 ns/day 0.075 hours/ns 36.856 steps/s 2023-02-16 02:02:54,026 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39200 3920 40.237 -39444 4410 -43854 -43854 -0.053593 0.083262 0.028516 19028 2023-02-16 02:02:56,187 INFO [main.py:643]
{rank 0/100} MD step = 39300 step time: 00:00:00.020495 Performance: 318.431 ns/day 0.075 hours/ns 36.855 steps/s 2023-02-16 02:02:56,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39300 3930 39.55 -39512 4334.8 -43847 -43847 -0.053698 0.083738 0.029125 19086 2023-02-16 02:02:58,905 INFO [main.py:643]
{rank 0/100} MD step = 39400 step time: 00:00:00.020421 Performance: 318.429 ns/day 0.075 hours/ns 36.855 steps/s 2023-02-16 02:02:59,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39400 3940 40.953 -39395 4488.5 -43884 -43884 -0.053241 0.084245 0.028878 19121 2023-02-16 02:03:01,582 INFO [main.py:643]
{rank 0/100} MD step = 39500 step time: 00:00:00.020385 Performance: 318.440 ns/day 0.075 hours/ns 36.857 steps/s 2023-02-16 02:03:02,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39500 3950 40.107 -39401 4395.8 -43797 -43797 -0.051241 0.084662 0.029144 19184 2023-02-16 02:03:04,281 INFO [main.py:643]
{rank 0/100} MD step = 39600 step time: 00:00:00.020481 Performance: 318.445 ns/day 0.075 hours/ns 36.857 steps/s 2023-02-16 02:03:04,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39600 3960 39.815 -39465 4363.8 -43829 -43829 -0.051136 0.084729 0.028392 19231 2023-02-16 02:03:06,989 INFO [main.py:643]
{rank 0/100} MD step = 39700 step time: 00:00:00.020474 Performance: 318.446 ns/day 0.075 hours/ns 36.857 steps/s 2023-02-16 02:03:07,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39700 3970 39.706 -39530 4351.8 -43882 -43882 -0.050612 0.083957 0.02843 19267 2023-02-16 02:03:09,645 INFO [main.py:643]
{rank 0/100} MD step = 39800 step time: 00:00:00.020392 Performance: 318.463 ns/day 0.075 hours/ns 36.859 steps/s 2023-02-16 02:03:10,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39800 3980 40.088 -39377 4393.6 -43770 -43770 -0.049669 0.08449 0.028392 19311 2023-02-16 02:03:12,340 INFO [main.py:643]
{rank 0/100} MD step = 39900 step time: 00:00:00.020356 Performance: 318.468 ns/day 0.075 hours/ns 36.860 steps/s 2023-02-16 02:03:13,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39900 3990 40.95 -39368 4488.2 -43856 -43856 -0.04916 0.084081 0.027716 19357 2023-02-16 02:03:15,040 INFO [main.py:643]
{rank 0/100} MD step = 40000 step time: 00:00:00.020422 Performance: 318.472 ns/day 0.075 hours/ns 36.860 steps/s 2023-02-16 02:03:15,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40000 4000 40.415 -39415 4429.5 -43844 -43844 -0.050412 0.083986 0.027735 19395 2023-02-16 02:03:17,755 INFO [main.py:643]
{rank 0/100} MD step = 40100 step time: 00:00:00.020463 Performance: 318.471 ns/day 0.075 hours/ns 36.860 steps/s 2023-02-16 02:03:18,232 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40100 4010 40.207 -39424 4406.8 -43830 -43830 -0.05065 0.084224 0.028173 19451 2023-02-16 02:03:20,418 INFO [main.py:643]
{rank 0/100} MD step = 40200 step time: 00:00:00.020502 Performance: 318.486 ns/day 0.075 hours/ns 36.862 steps/s 2023-02-16 02:03:21,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40200 4020 40.164 -39471 4402 -43873 -43873 -0.050803 0.083167 0.027611 19502 2023-02-16 02:03:23,103 INFO [main.py:643]
{rank 0/100} MD step = 40300 step time: 00:00:00.020315 Performance: 318.494 ns/day 0.075 hours/ns 36.863 steps/s 2023-02-16 02:03:23,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40300 4030 40.046 -39363 4389 -43753 -43753 -0.05297 0.082386 0.027983 19558 2023-02-16 02:03:25,780 INFO [main.py:643]
{rank 0/100} MD step = 40400 step time: 00:00:00.020429 Performance: 318.504 ns/day 0.075 hours/ns 36.864 steps/s 2023-02-16 02:03:26,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40400 4040 39.676 -39502 4348.5 -43850 -43850 -0.052955 0.082195 0.028154 19602 2023-02-16 02:03:28,477 INFO [main.py:643]
{rank 0/100} MD step = 40500 step time: 00:00:00.020402 Performance: 318.509 ns/day 0.075 hours/ns 36.864 steps/s 2023-02-16 02:03:29,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40500 4050 40.833 -39278 4475.3 -43754 -43754 -0.051984 0.082748 0.028116 19658 2023-02-16 02:03:31,107 INFO [main.py:643]
{rank 0/100} MD step = 40600 step time: 00:00:00.020684 Performance: 318.533 ns/day 0.075 hours/ns 36.867 steps/s 2023-02-16 02:03:31,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40600 4060 40.1 -39472 4395 -43867 -43867 -0.051736 0.083262 0.028711 19718 2023-02-16 02:03:33,813 INFO [main.py:643]
{rank 0/100} MD step = 40700 step time: 00:00:00.020724 Performance: 318.535 ns/day 0.075 hours/ns 36.867 steps/s 2023-02-16 02:03:34,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40700 4070 39.628 -39541 4343.3 -43884 -43884 -0.05307 0.083195 0.02824 19762 2023-02-16 02:03:36,489 INFO [main.py:643]
{rank 0/100} MD step = 40800 step time: 00:00:00.020498 Performance: 318.545 ns/day 0.075 hours/ns 36.869 steps/s 2023-02-16 02:03:37,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40800 4080 40.17 -39431 4402.7 -43834 -43834 -0.052798 0.084024 0.027392 19822 2023-02-16 02:03:39,201 INFO [main.py:643]
{rank 0/100} MD step = 40900 step time: 00:00:00.020435 Performance: 318.545 ns/day 0.075 hours/ns 36.869 steps/s 2023-02-16 02:03:39,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40900 4090 40.299 -39424 4416.9 -43841 -43841 -0.052384 0.084271 0.026992 19861 2023-02-16 02:03:41,858 INFO [main.py:643]
{rank 0/100} MD step = 41000 step time: 00:00:00.020506 Performance: 318.561 ns/day 0.075 hours/ns 36.871 steps/s 2023-02-16 02:03:42,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41000 4100 40.415 -39456 4429.5 -43885 -43885 -0.05347 0.083967 0.026363 19907 2023-02-16 02:03:44,735 INFO [main.py:643]
{rank 0/100} MD step = 41100 step time: 00:00:00.020626 Performance: 318.514 ns/day 0.075 hours/ns 36.865 steps/s 2023-02-16 02:03:45,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41100 4110 40.171 -39458 4402.7 -43861 -43861 -0.05166 0.083814 0.025592 19969 2023-02-16 02:03:47,437 INFO [main.py:643]
{rank 0/100} MD step = 41200 step time: 00:00:00.020438 Performance: 318.517 ns/day 0.075 hours/ns 36.865 steps/s 2023-02-16 02:03:48,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41200 4120 40.12 -39437 4397.2 -43834 -43834 -0.050784 0.084557 0.025087 20016 2023-02-16 02:03:50,139 INFO [main.py:643]
{rank 0/100} MD step = 41300 step time: 00:00:00.020393 Performance: 318.520 ns/day 0.075 hours/ns 36.866 steps/s 2023-02-16 02:03:50,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41300 4130 40.373 -39383 4425 -43808 -43808 -0.050917 0.084652 0.024344 20085 2023-02-16 02:03:52,817 INFO [main.py:643]
{rank 0/100} MD step = 41400 step time: 00:00:00.020521 Performance: 318.530 ns/day 0.075 hours/ns 36.867 steps/s 2023-02-16 02:03:53,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41400 4140 39.883 -39402 4371.2 -43774 -43774 -0.05127 0.085676 0.023887 20135 2023-02-16 02:03:55,499 INFO [main.py:643]
{rank 0/100} MD step = 41500 step time: 00:00:00.020533 Performance: 318.538 ns/day 0.075 hours/ns 36.868 steps/s 2023-02-16 02:03:56,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41500 4150 40.399 -39382 4427.8 -43810 -43810 -0.050555 0.086329 0.024916 20187 2023-02-16 02:03:58,199 INFO [main.py:643]
{rank 0/100} MD step = 41600 step time: 00:00:00.022019 Performance: 318.542 ns/day 0.075 hours/ns 36.868 steps/s 2023-02-16 02:03:58,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41600 4160 39.87 -39395 4369.8 -43764 -43764 -0.050289 0.086472 0.025678 20238 2023-02-16 02:04:01,054 INFO [main.py:643]
{rank 0/100} MD step = 41700 step time: 00:00:00.020577 Performance: 318.502 ns/day 0.075 hours/ns 36.864 steps/s 2023-02-16 02:04:01,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41700 4170 40.054 -39354 4390 -43744 -43744 -0.049605 0.087338 0.025097 20282 2023-02-16 02:04:03,805 INFO [main.py:643]
{rank 0/100} MD step = 41800 step time: 00:00:00.020391 Performance: 318.491 ns/day 0.075 hours/ns 36.862 steps/s 2023-02-16 02:04:04,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41800 4180 39.583 -39424 4338.4 -43763 -43763 -0.049431 0.087972 0.024975 20322 2023-02-16 02:04:06,667 INFO [main.py:643]
{rank 0/100} MD step = 41900 step time: 00:00:00.020497 Performance: 318.449 ns/day 0.075 hours/ns 36.858 steps/s 2023-02-16 02:04:07,445 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41900 4190 39.432 -39527 4321.8 -43849 -43849 -0.050269 0.088615 0.024801 20367 2023-02-16 02:04:09,594 INFO [main.py:643]
{rank 0/100} MD step = 42000 step time: 00:00:00.020503 Performance: 318.390 ns/day 0.075 hours/ns 36.851 steps/s 2023-02-16 02:04:10,247 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42000 4200 40.254 -39433 4411.9 -43845 -43845 -0.050174 0.087967 0.024454 20430 2023-02-16 02:04:12,280 INFO [main.py:643]
{rank 0/100} MD step = 42100 step time: 00:00:00.020389 Performance: 318.397 ns/day 0.075 hours/ns 36.852 steps/s 2023-02-16 02:04:12,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42100 4210 40.059 -39476 4390.5 -43866 -43866 -0.050727 0.088691 0.024611 20460 2023-02-16 02:04:14,945 INFO [main.py:643]
{rank 0/100} MD step = 42200 step time: 00:00:00.020487 Performance: 318.411 ns/day 0.075 hours/ns 36.853 steps/s 2023-02-16 02:04:15,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42200 4220 40.398 -39480 4427.7 -43907 -43907 -0.049393 0.088719 0.024982 20509 2023-02-16 02:04:17,624 INFO [main.py:643]
{rank 0/100} MD step = 42300 step time: 00:00:00.020401 Performance: 318.420 ns/day 0.075 hours/ns 36.854 steps/s 2023-02-16 02:04:18,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42300 4230 39.966 -39429 4380.3 -43809 -43809 -0.04865 0.088386 0.025411 20568 2023-02-16 02:04:20,313 INFO [main.py:643]
{rank 0/100} MD step = 42400 step time: 00:00:00.020471 Performance: 318.427 ns/day 0.075 hours/ns 36.855 steps/s 2023-02-16 02:04:20,959 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42400 4240 40.249 -39435 4411.4 -43846 -43846 -0.049974 0.0881 0.024782 20607 2023-02-16 02:04:23,033 INFO [main.py:643]
{rank 0/100} MD step = 42500 step time: 00:00:00.020440 Performance: 318.425 ns/day 0.075 hours/ns 36.855 steps/s 2023-02-16 02:04:23,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42500 4250 40.197 -39404 4405.6 -43810 -43810 -0.050841 0.087681 0.025487 20656 2023-02-16 02:04:25,668 INFO [main.py:643]
{rank 0/100} MD step = 42600 step time: 00:00:00.020497 Performance: 318.447 ns/day 0.075 hours/ns 36.857 steps/s 2023-02-16 02:04:26,375 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42600 4260 39.901 -39541 4373.2 -43914 -43914 -0.050998 0.087738 0.025906 20714 2023-02-16 02:04:28,432 INFO [main.py:643]
{rank 0/100} MD step = 42700 step time: 00:00:00.020490 Performance: 318.433 ns/day 0.075 hours/ns 36.856 steps/s 2023-02-16 02:04:29,143 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42700 4270 40.541 -39377 4443.4 -43820 -43820 -0.050753 0.087557 0.026401 20773 2023-02-16 02:04:31,177 INFO [main.py:643]
{rank 0/100} MD step = 42800 step time: 00:00:00.020512 Performance: 318.424 ns/day 0.075 hours/ns 36.855 steps/s 2023-02-16 02:04:31,811 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42800 4280 40.24 -39426 4410.4 -43836 -43836 -0.051317 0.087438 0.027683 20823 2023-02-16 02:04:34,054 INFO [main.py:643]
{rank 0/100} MD step = 42900 step time: 00:00:00.020419 Performance: 318.379 ns/day 0.075 hours/ns 36.849 steps/s 2023-02-16 02:04:34,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42900 4290 39.564 -39455 4336.2 -43791 -43791 -0.052079 0.087938 0.028135 20882 2023-02-16 02:04:36,700 INFO [main.py:643]
{rank 0/100} MD step = 43000 step time: 00:00:00.021284 Performance: 318.398 ns/day 0.075 hours/ns 36.852 steps/s 2023-02-16 02:04:37,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43000 4300 40.112 -39492 4396.3 -43888 -43888 -0.051736 0.088091 0.028483 20942 2023-02-16 02:04:39,386 INFO [main.py:643]
{rank 0/100} MD step = 43100 step time: 00:00:00.020484 Performance: 318.405 ns/day 0.075 hours/ns 36.852 steps/s 2023-02-16 02:04:40,103 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43100 4310 40.283 -39445 4415.1 -43860 -43860 -0.052308 0.087929 0.027816 20987 2023-02-16 02:04:42,133 INFO [main.py:643]
{rank 0/100} MD step = 43200 step time: 00:00:00.020501 Performance: 318.396 ns/day 0.075 hours/ns 36.851 steps/s 2023-02-16 02:04:42,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43200 4320 40.008 -39479 4384.9 -43864 -43864 -0.053984 0.0889 0.027887 21033 2023-02-16 02:04:44,904 INFO [main.py:643]
{rank 0/100} MD step = 43300 step time: 00:00:00.020674 Performance: 318.381 ns/day 0.075 hours/ns 36.850 steps/s 2023-02-16 02:04:45,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43300 4330 40.199 -39484 4405.8 -43889 -43889 -0.054546 0.088843 0.028818 21084 2023-02-16 02:04:47,562 INFO [main.py:643]
{rank 0/100} MD step = 43400 step time: 00:00:00.020372 Performance: 318.396 ns/day 0.075 hours/ns 36.851 steps/s 2023-02-16 02:04:48,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43400 4340 39.93 -39451 4376.4 -43827 -43827 -0.052993 0.088748 0.028868 21142 2023-02-16 02:04:50,260 INFO [main.py:643]
{rank 0/100} MD step = 43500 step time: 00:00:00.020402 Performance: 318.400 ns/day 0.075 hours/ns 36.852 steps/s 2023-02-16 02:04:50,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43500 4350 40.147 -39367 4400.2 -43767 -43767 -0.052936 0.08851 0.029564 21199 2023-02-16 02:04:53,515 INFO [main.py:643]
{rank 0/100} MD step = 43600 step time: 00:00:00.020506 Performance: 318.255 ns/day 0.075 hours/ns 36.835 steps/s 2023-02-16 02:04:54,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43600 4360 39.852 -39530 4367.8 -43898 -43898 -0.051831 0.088186 0.028916 21252 2023-02-16 02:04:56,307 INFO [main.py:643]
{rank 0/100} MD step = 43700 step time: 00:00:00.020888 Performance: 318.234 ns/day 0.075 hours/ns 36.833 steps/s 2023-02-16 02:04:56,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43700 4370 40.083 -39397 4393.1 -43791 -43791 -0.05065 0.088405 0.029221 21278 2023-02-16 02:04:58,998 INFO [main.py:643]
{rank 0/100} MD step = 43800 step time: 00:00:00.020555 Performance: 318.240 ns/day 0.075 hours/ns 36.833 steps/s 2023-02-16 02:04:59,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43800 4380 40.465 -39396 4435 -43831 -43831 -0.052155 0.088748 0.02934 21333 2023-02-16 02:05:01,637 INFO [main.py:643]
{rank 0/100} MD step = 43900 step time: 00:00:00.020394 Performance: 318.261 ns/day 0.075 hours/ns 36.836 steps/s 2023-02-16 02:05:02,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43900 4390 40.421 -39348 4430.2 -43778 -43778 -0.05207 0.089281 0.030068 21384 2023-02-16 02:05:04,501 INFO [main.py:643]
{rank 0/100} MD step = 44000 step time: 00:00:00.020421 Performance: 318.221 ns/day 0.075 hours/ns 36.831 steps/s 2023-02-16 02:05:05,153 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44000 4400 40.38 -39434 4425.7 -43860 -43860 -0.052898 0.08911 0.030249 21439 2023-02-16 02:05:07,203 INFO [main.py:643]
{rank 0/100} MD step = 44100 step time: 00:00:00.020458 Performance: 318.224 ns/day 0.075 hours/ns 36.832 steps/s 2023-02-16 02:05:07,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44100 4410 40.061 -39366 4390.7 -43757 -43757 -0.053279 0.089015 0.029906 21493 2023-02-16 02:05:09,938 INFO [main.py:643]
{rank 0/100} MD step = 44200 step time: 00:00:00.020492 Performance: 318.219 ns/day 0.075 hours/ns 36.831 steps/s 2023-02-16 02:05:10,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44200 4420 40.301 -39458 4417.1 -43875 -43875 -0.052498 0.089605 0.029373 21532 2023-02-16 02:05:12,600 INFO [main.py:643]
{rank 0/100} MD step = 44300 step time: 00:00:00.020475 Performance: 318.233 ns/day 0.075 hours/ns 36.833 steps/s 2023-02-16 02:05:13,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44300 4430 40.029 -39447 4387.2 -43834 -43834 -0.053794 0.090624 0.030116 21582 2023-02-16 02:05:15,325 INFO [main.py:643]
{rank 0/100} MD step = 44400 step time: 00:00:00.020443 Performance: 318.230 ns/day 0.075 hours/ns 36.832 steps/s 2023-02-16 02:05:15,986 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44400 4440 40.089 -39435 4393.8 -43829 -43829 -0.054327 0.090234 0.030487 21640 2023-02-16 02:05:18,031 INFO [main.py:643]
{rank 0/100} MD step = 44500 step time: 00:00:00.020459 Performance: 318.233 ns/day 0.075 hours/ns 36.832 steps/s 2023-02-16 02:05:18,677 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44500 4450 40.157 -39442 4401.3 -43843 -43843 -0.055546 0.091072 0.030606 21695 2023-02-16 02:05:20,714 INFO [main.py:643]
{rank 0/100} MD step = 44600 step time: 00:00:00.020394 Performance: 318.241 ns/day 0.075 hours/ns 36.833 steps/s 2023-02-16 02:05:21,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44600 4460 39.714 -39409 4352.7 -43762 -43762 -0.054251 0.090215 0.030687 21734 2023-02-16 02:05:23,415 INFO [main.py:643]
{rank 0/100} MD step = 44700 step time: 00:00:00.020540 Performance: 318.245 ns/day 0.075 hours/ns 36.834 steps/s 2023-02-16 02:05:24,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44700 4470 39.76 -39515 4357.8 -43873 -43873 -0.053384 0.090824 0.031983 21768 2023-02-16 02:05:26,087 INFO [main.py:643]
{rank 0/100} MD step = 44800 step time: 00:00:00.020512 Performance: 318.256 ns/day 0.075 hours/ns 36.835 steps/s 2023-02-16 02:05:26,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44800 4480 39.858 -39539 4368.5 -43908 -43908 -0.05326 0.090962 0.032826 21806 2023-02-16 02:05:28,757 INFO [main.py:643]
{rank 0/100} MD step = 44900 step time: 00:00:00.020472 Performance: 318.268 ns/day 0.075 hours/ns 36.837 steps/s 2023-02-16 02:05:29,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44900 4490 40.574 -39367 4446.9 -43814 -43814 -0.053727 0.091519 0.033145 21866 2023-02-16 02:05:31,408 INFO [main.py:643]
{rank 0/100} MD step = 45000 step time: 00:00:00.020611 Performance: 318.284 ns/day 0.075 hours/ns 36.838 steps/s 2023-02-16 02:05:31,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45000 4500 40.16 -39402 4401.5 -43803 -43803 -0.054451 0.091619 0.033688 21919 2023-02-16 02:05:34,052 INFO [main.py:643]
{rank 0/100} MD step = 45100 step time: 00:00:00.020387 Performance: 318.302 ns/day 0.075 hours/ns 36.841 steps/s 2023-02-16 02:05:34,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45100 4510 40.738 -39400 4465 -43865 -43865 -0.05387 0.092367 0.034059 21965 2023-02-16 02:05:36,838 INFO [main.py:643]
{rank 0/100} MD step = 45200 step time: 00:00:00.020485 Performance: 318.284 ns/day 0.075 hours/ns 36.838 steps/s 2023-02-16 02:05:37,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45200 4520 40.323 -39487 4419.4 -43906 -43906 -0.053336 0.092996 0.033354 22021 2023-02-16 02:05:39,532 INFO [main.py:643]
{rank 0/100} MD step = 45300 step time: 00:00:00.020766 Performance: 318.289 ns/day 0.075 hours/ns 36.839 steps/s 2023-02-16 02:05:40,208 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45300 4530 40.417 -39387 4429.8 -43817 -43817 -0.052346 0.092772 0.033478 22072 2023-02-16 02:05:42,234 INFO [main.py:643]
{rank 0/100} MD step = 45400 step time: 00:00:00.020303 Performance: 318.293 ns/day 0.075 hours/ns 36.839 steps/s 2023-02-16 02:05:42,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45400 4540 40.245 -39478 4410.9 -43889 -43889 -0.051927 0.093429 0.033821 22115 2023-02-16 02:05:45,002 INFO [main.py:643]
{rank 0/100} MD step = 45500 step time: 00:00:00.020558 Performance: 318.279 ns/day 0.075 hours/ns 36.838 steps/s 2023-02-16 02:05:46,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45500 4550 40.141 -39441 4399.5 -43840 -43840 -0.052965 0.094415 0.034288 22165 2023-02-16 02:05:48,172 INFO [main.py:643]
{rank 0/100} MD step = 45600 step time: 00:00:00.020973 Performance: 318.162 ns/day 0.075 hours/ns 36.824 steps/s 2023-02-16 02:05:48,806 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45600 4560 39.942 -39402 4377.7 -43780 -43780 -0.053398 0.095167 0.034459 22218 2023-02-16 02:05:50,860 INFO [main.py:643]
{rank 0/100} MD step = 45700 step time: 00:00:00.020362 Performance: 318.169 ns/day 0.075 hours/ns 36.825 steps/s 2023-02-16 02:05:51,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45700 4570 40.165 -39446 4402.2 -43848 -43848 -0.053998 0.09532 0.034421 22252 2023-02-16 02:05:53,837 INFO [main.py:643]
{rank 0/100} MD step = 45800 step time: 00:00:00.020654 Performance: 318.102 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:05:54,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45800 4580 40.179 -39396 4403.7 -43800 -43800 -0.055089 0.094901 0.034631 22315 2023-02-16 02:05:56,504 INFO [main.py:643]
{rank 0/100} MD step = 45900 step time: 00:00:00.020544 Performance: 318.114 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:05:57,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45900 4590 39.447 -39464 4323.4 -43787 -43787 -0.054698 0.095072 0.034735 22343 2023-02-16 02:05:59,197 INFO [main.py:643]
{rank 0/100} MD step = 46000 step time: 00:00:00.020360 Performance: 318.120 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:05:59,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46000 4600 40.467 -39344 4435.2 -43779 -43779 -0.054727 0.094834 0.034973 22401 2023-02-16 02:06:01,975 INFO [main.py:643]
{rank 0/100} MD step = 46100 step time: 00:00:00.020509 Performance: 318.105 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:06:02,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46100 4610 40.625 -39398 4452.5 -43850 -43850 -0.056094 0.09472 0.034345 22439 2023-02-16 02:06:04,818 INFO [main.py:643]
{rank 0/100} MD step = 46200 step time: 00:00:00.020639 Performance: 318.072 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:06:05,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46200 4620 40.037 -39504 4388.1 -43892 -43892 -0.056484 0.094862 0.034535 22491 2023-02-16 02:06:07,528 INFO [main.py:643]
{rank 0/100} MD step = 46300 step time: 00:00:00.020512 Performance: 318.074 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:06:08,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46300 4630 39.881 -39527 4371 -43898 -43898 -0.056489 0.095091 0.034269 22545 2023-02-16 02:06:10,226 INFO [main.py:643]
{rank 0/100} MD step = 46400 step time: 00:00:00.020448 Performance: 318.079 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:06:10,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46400 4640 40.215 -39472 4407.6 -43880 -43880 -0.056098 0.094805 0.034554 22581 2023-02-16 02:06:12,966 INFO [main.py:643]
{rank 0/100} MD step = 46500 step time: 00:00:00.020628 Performance: 318.073 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:06:13,507 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46500 4650 39.886 -39485 4371.5 -43857 -43857 -0.056308 0.095205 0.035612 22621 2023-02-16 02:06:15,640 INFO [main.py:643]
{rank 0/100} MD step = 46600 step time: 00:00:00.020347 Performance: 318.083 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:06:16,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46600 4660 39.811 -39527 4363.4 -43890 -43890 -0.056003 0.094396 0.035754 22676 2023-02-16 02:06:18,467 INFO [main.py:643]
{rank 0/100} MD step = 46700 step time: 00:00:00.020393 Performance: 318.056 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:06:19,098 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46700 4670 40.048 -39451 4389.3 -43841 -43841 -0.056994 0.094405 0.034456 22725 2023-02-16 02:06:21,125 INFO [main.py:643]
{rank 0/100} MD step = 46800 step time: 00:00:00.020428 Performance: 318.070 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:06:21,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46800 4680 39.414 -39587 4319.8 -43907 -43907 -0.05746 0.095277 0.03444 22761 2023-02-16 02:06:23,805 INFO [main.py:643]
{rank 0/100} MD step = 46900 step time: 00:00:00.020362 Performance: 318.079 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:06:24,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46900 4690 39.908 -39376 4374 -43750 -43750 -0.057013 0.095539 0.03464 22817 2023-02-16 02:06:26,440 INFO [main.py:643]
{rank 0/100} MD step = 47000 step time: 00:00:00.020551 Performance: 318.099 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:06:27,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47000 4700 40.268 -39382 4413.4 -43795 -43795 -0.057268 0.096177 0.034935 22869 2023-02-16 02:06:29,147 INFO [main.py:643]
{rank 0/100} MD step = 47100 step time: 00:00:00.020482 Performance: 318.102 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:06:29,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47100 4710 39.802 -39495 4362.4 -43858 -43858 -0.059241 0.096129 0.035031 22919 2023-02-16 02:06:32,288 INFO [main.py:643]
{rank 0/100} MD step = 47200 step time: 00:00:00.023012 Performance: 317.996 ns/day 0.075 hours/ns 36.805 steps/s 2023-02-16 02:06:32,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47200 4720 40.388 -39401 4426.5 -43828 -43828 -0.06008 0.096986 0.034978 22971 2023-02-16 02:06:34,971 INFO [main.py:643]
{rank 0/100} MD step = 47300 step time: 00:00:00.020391 Performance: 318.005 ns/day 0.075 hours/ns 36.806 steps/s 2023-02-16 02:06:35,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47300 4730 39.858 -39439 4368.5 -43807 -43807 -0.061675 0.09572 0.034364 23023 2023-02-16 02:06:37,640 INFO [main.py:643]
{rank 0/100} MD step = 47400 step time: 00:00:00.020478 Performance: 318.017 ns/day 0.075 hours/ns 36.807 steps/s 2023-02-16 02:06:38,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47400 4740 39.789 -39421 4360.9 -43782 -43782 -0.060822 0.096358 0.034554 23073 2023-02-16 02:06:40,300 INFO [main.py:643]
{rank 0/100} MD step = 47500 step time: 00:00:00.020364 Performance: 318.031 ns/day 0.075 hours/ns 36.809 steps/s 2023-02-16 02:06:40,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47500 4750 39.867 -39380 4369.5 -43750 -43750 -0.060656 0.096605 0.035354 23130 2023-02-16 02:06:42,993 INFO [main.py:643]
{rank 0/100} MD step = 47600 step time: 00:00:00.020607 Performance: 318.036 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:06:43,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47600 4760 39.397 -39555 4318 -43873 -43873 -0.061118 0.096582 0.036116 23170 2023-02-16 02:06:45,717 INFO [main.py:643]
{rank 0/100} MD step = 47700 step time: 00:00:00.020545 Performance: 318.035 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:06:46,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47700 4770 39.569 -39457 4336.8 -43793 -43793 -0.062346 0.097082 0.036859 23232 2023-02-16 02:06:48,460 INFO [main.py:643]
{rank 0/100} MD step = 47800 step time: 00:00:00.020567 Performance: 318.028 ns/day 0.075 hours/ns 36.809 steps/s 2023-02-16 02:06:49,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47800 4780 40.625 -39381 4452.6 -43833 -43833 -0.062661 0.096005 0.03644 23273 2023-02-16 02:06:51,088 INFO [main.py:643]
{rank 0/100} MD step = 47900 step time: 00:00:00.020543 Performance: 318.050 ns/day 0.075 hours/ns 36.811 steps/s 2023-02-16 02:06:51,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47900 4790 40.285 -39384 4415.3 -43799 -43799 -0.062708 0.095815 0.036273 23324 2023-02-16 02:06:53,775 INFO [main.py:643]
{rank 0/100} MD step = 48000 step time: 00:00:00.020450 Performance: 318.057 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:06:54,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48000 4800 39.896 -39448 4372.6 -43821 -43821 -0.063032 0.095777 0.03494 23386 2023-02-16 02:06:56,496 INFO [main.py:643]
{rank 0/100} MD step = 48100 step time: 00:00:00.020326 Performance: 318.056 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:06:57,104 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48100 4810 39.519 -39530 4331.4 -43861 -43861 -0.063308 0.095558 0.035392 23417 2023-02-16 02:06:59,147 INFO [main.py:643]
{rank 0/100} MD step = 48200 step time: 00:00:00.020445 Performance: 318.072 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:06:59,758 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48200 4820 39.684 -39499 4349.4 -43848 -43848 -0.062794 0.09591 0.036345 23482 2023-02-16 02:07:01,831 INFO [main.py:643]
{rank 0/100} MD step = 48300 step time: 00:00:00.020548 Performance: 318.080 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:07:02,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48300 4830 40.209 -39499 4406.9 -43906 -43906 -0.06447 0.096739 0.035985 23519 2023-02-16 02:07:04,500 INFO [main.py:643]
{rank 0/100} MD step = 48400 step time: 00:00:00.020504 Performance: 318.091 ns/day 0.075 hours/ns 36.816 steps/s 2023-02-16 02:07:05,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48400 4840 39.562 -39454 4336.1 -43790 -43790 -0.064508 0.096977 0.03524 23584 2023-02-16 02:07:07,681 INFO [main.py:643]
{rank 0/100} MD step = 48500 step time: 00:00:00.021856 Performance: 317.979 ns/day 0.075 hours/ns 36.803 steps/s 2023-02-16 02:07:08,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48500 4850 40.22 -39489 4408.1 -43897 -43897 -0.064556 0.097263 0.036107 23619 2023-02-16 02:07:10,387 INFO [main.py:643]
{rank 0/100} MD step = 48600 step time: 00:00:00.020449 Performance: 317.982 ns/day 0.075 hours/ns 36.803 steps/s 2023-02-16 02:07:10,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48600 4860 39.387 -39502 4316.9 -43818 -43818 -0.064385 0.097567 0.036002 23681 2023-02-16 02:07:13,061 INFO [main.py:643]
{rank 0/100} MD step = 48700 step time: 00:00:00.020516 Performance: 317.992 ns/day 0.075 hours/ns 36.805 steps/s 2023-02-16 02:07:13,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48700 4870 39.864 -39507 4369.1 -43876 -43876 -0.065699 0.098053 0.035535 23729 2023-02-16 02:07:15,742 INFO [main.py:643]
{rank 0/100} MD step = 48800 step time: 00:00:00.020525 Performance: 318.001 ns/day 0.075 hours/ns 36.806 steps/s 2023-02-16 02:07:16,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48800 4880 39.977 -39436 4381.6 -43817 -43817 -0.06687 0.098539 0.035821 23795 2023-02-16 02:07:18,467 INFO [main.py:643]
{rank 0/100} MD step = 48900 step time: 00:00:00.021270 Performance: 317.999 ns/day 0.075 hours/ns 36.805 steps/s 2023-02-16 02:07:18,894 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48900 4890 39.753 -39488 4357 -43845 -43845 -0.066089 0.098634 0.03585 23838 2023-02-16 02:07:21,086 INFO [main.py:643]
{rank 0/100} MD step = 49000 step time: 00:00:00.020849 Performance: 318.022 ns/day 0.075 hours/ns 36.808 steps/s 2023-02-16 02:07:21,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49000 4900 39.215 -39584 4298 -43882 -43882 -0.066832 0.098406 0.036307 23890 2023-02-16 02:07:23,780 INFO [main.py:643]
{rank 0/100} MD step = 49100 step time: 00:00:00.020282 Performance: 318.028 ns/day 0.075 hours/ns 36.809 steps/s 2023-02-16 02:07:24,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49100 4910 40.243 -39416 4410.7 -43827 -43827 -0.067242 0.099158 0.03575 23953 2023-02-16 02:07:26,428 INFO [main.py:643]
{rank 0/100} MD step = 49200 step time: 00:00:00.020483 Performance: 318.044 ns/day 0.075 hours/ns 36.811 steps/s 2023-02-16 02:07:27,098 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49200 4920 40.665 -39403 4457 -43860 -43860 -0.067561 0.099882 0.03585 23990 2023-02-16 02:07:29,141 INFO [main.py:643]
{rank 0/100} MD step = 49300 step time: 00:00:00.020377 Performance: 318.045 ns/day 0.075 hours/ns 36.811 steps/s 2023-02-16 02:07:29,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49300 4930 40.179 -39387 4403.7 -43791 -43791 -0.067699 0.10031 0.035259 24044 2023-02-16 02:07:31,804 INFO [main.py:643]
{rank 0/100} MD step = 49400 step time: 00:00:00.020388 Performance: 318.058 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:07:32,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49400 4940 40.061 -39531 4390.7 -43921 -43921 -0.066899 0.1013 0.034611 24084 2023-02-16 02:07:34,436 INFO [main.py:643]
{rank 0/100} MD step = 49500 step time: 00:00:00.020437 Performance: 318.078 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:07:35,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49500 4950 40.097 -39463 4394.7 -43858 -43858 -0.065756 0.10166 0.03383 24143 2023-02-16 02:07:37,248 INFO [main.py:643]
{rank 0/100} MD step = 49600 step time: 00:00:00.021111 Performance: 318.055 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:07:37,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49600 4960 39.613 -39512 4341.7 -43853 -43853 -0.066289 0.10332 0.033202 24181 2023-02-16 02:07:39,925 INFO [main.py:643]
{rank 0/100} MD step = 49700 step time: 00:00:00.020482 Performance: 318.064 ns/day 0.075 hours/ns 36.813 steps/s 2023-02-16 02:07:40,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49700 4970 39.729 -39520 4354.3 -43875 -43875 -0.066061 0.10288 0.033116 24236 2023-02-16 02:07:42,770 INFO [main.py:643]
{rank 0/100} MD step = 49800 step time: 00:00:00.020465 Performance: 318.034 ns/day 0.075 hours/ns 36.809 steps/s 2023-02-16 02:07:43,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49800 4980 40.334 -39457 4420.6 -43878 -43878 -0.067794 0.10362 0.032564 24267 2023-02-16 02:07:45,474 INFO [main.py:643]
{rank 0/100} MD step = 49900 step time: 00:00:00.022334 Performance: 318.037 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:07:46,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49900 4990 40.545 -39429 4443.8 -43873 -43873 -0.066232 0.10434 0.03264 24327 2023-02-16 02:07:48,175 INFO [main.py:643]
{rank 0/100} MD step = 50000 step time: 00:00:00.021334 Performance: 318.041 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:07:48,770 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50000 5000 40.093 -39486 4394.2 -43880 -43880 -0.066461 0.10502 0.032192 24387 2023-02-16 02:07:50,846 INFO [main.py:643]
{rank 0/100} MD step = 50100 step time: 00:00:00.020441 Performance: 318.051 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:07:51,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50100 5010 39.692 -39521 4350.2 -43872 -43872 -0.06688 0.10487 0.031559 24420 2023-02-16 02:07:53,650 INFO [main.py:643]
{rank 0/100} MD step = 50200 step time: 00:00:00.024985 Performance: 318.031 ns/day 0.075 hours/ns 36.809 steps/s 2023-02-16 02:07:54,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50200 5020 41.086 -39339 4503.1 -43842 -43842 -0.06607 0.10402 0.030897 24468 2023-02-16 02:07:56,354 INFO [main.py:643]
{rank 0/100} MD step = 50300 step time: 00:00:00.020466 Performance: 318.034 ns/day 0.075 hours/ns 36.809 steps/s 2023-02-16 02:07:56,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50300 5030 40.479 -39485 4436.6 -43922 -43922 -0.06687 0.10437 0.031135 24509 2023-02-16 02:07:59,042 INFO [main.py:643]
{rank 0/100} MD step = 50400 step time: 00:00:00.020425 Performance: 318.041 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:07:59,707 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50400 5040 40.239 -39512 4410.2 -43922 -43922 -0.065413 0.105 0.032554 24560 2023-02-16 02:08:01,745 INFO [main.py:643]
{rank 0/100} MD step = 50500 step time: 00:00:00.020634 Performance: 318.044 ns/day 0.075 hours/ns 36.811 steps/s 2023-02-16 02:08:02,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50500 5050 39.584 -39475 4338.4 -43813 -43813 -0.064251 0.10537 0.032773 24599 2023-02-16 02:08:04,428 INFO [main.py:643]
{rank 0/100} MD step = 50600 step time: 00:00:00.020562 Performance: 318.051 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:08:05,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50600 5060 40.705 -39412 4461.3 -43873 -43873 -0.063642 0.10499 0.032259 24637 2023-02-16 02:08:07,088 INFO [main.py:643]
{rank 0/100} MD step = 50700 step time: 00:00:00.020531 Performance: 318.065 ns/day 0.075 hours/ns 36.813 steps/s 2023-02-16 02:08:07,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50700 5070 40.128 -39417 4398.1 -43815 -43815 -0.062956 0.10521 0.033154 24714 2023-02-16 02:08:09,824 INFO [main.py:643]
{rank 0/100} MD step = 50800 step time: 00:00:00.020414 Performance: 318.060 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:08:10,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50800 5080 40.176 -39404 4403.4 -43807 -43807 -0.062665 0.10506 0.034402 24762 2023-02-16 02:08:12,494 INFO [main.py:643]
{rank 0/100} MD step = 50900 step time: 00:00:00.020461 Performance: 318.071 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:08:13,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50900 5090 39.866 -39498 4369.4 -43868 -43868 -0.062749 0.10552 0.034945 24813 2023-02-16 02:08:15,147 INFO [main.py:643]
{rank 0/100} MD step = 51000 step time: 00:00:00.020525 Performance: 318.085 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:08:15,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51000 5100 40.584 -39437 4448 -43885 -43885 -0.062604 0.10512 0.035011 24865 2023-02-16 02:08:17,983 INFO [main.py:643]
{rank 0/100} MD step = 51100 step time: 00:00:00.020381 Performance: 318.058 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:08:18,620 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51100 5110 39.649 -39470 4345.5 -43816 -43816 -0.061394 0.104 0.035412 24920 2023-02-16 02:08:20,659 INFO [main.py:643]
{rank 0/100} MD step = 51200 step time: 00:00:00.020517 Performance: 318.067 ns/day 0.075 hours/ns 36.813 steps/s 2023-02-16 02:08:21,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51200 5120 39.338 -39614 4311.5 -43925 -43925 -0.060727 0.10423 0.03529 24971 2023-02-16 02:08:23,307 INFO [main.py:643]
{rank 0/100} MD step = 51300 step time: 00:00:00.020312 Performance: 318.083 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:08:23,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51300 5130 40.386 -39422 4426.3 -43849 -43849 -0.059946 0.10448 0.034564 25020 2023-02-16 02:08:25,947 INFO [main.py:643]
{rank 0/100} MD step = 51400 step time: 00:00:00.020517 Performance: 318.100 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:08:26,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51400 5140 40.385 -39350 4426.2 -43777 -43777 -0.059599 0.10453 0.034211 25061 2023-02-16 02:08:28,625 INFO [main.py:643]
{rank 0/100} MD step = 51500 step time: 00:00:00.020503 Performance: 318.109 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:08:29,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51500 5150 40.396 -39374 4427.4 -43802 -43802 -0.060041 0.10445 0.033835 25112 2023-02-16 02:08:31,314 INFO [main.py:643]
{rank 0/100} MD step = 51600 step time: 00:00:00.020490 Performance: 318.115 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:08:31,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51600 5160 39.882 -39468 4371.1 -43839 -43839 -0.059775 0.10374 0.034078 25154 2023-02-16 02:08:33,998 INFO [main.py:643]
{rank 0/100} MD step = 51700 step time: 00:00:00.020527 Performance: 318.122 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:08:34,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51700 5170 39.835 -39452 4366 -43818 -43818 -0.058079 0.10345 0.033164 25208 2023-02-16 02:08:36,691 INFO [main.py:643]
{rank 0/100} MD step = 51800 step time: 00:00:00.020582 Performance: 318.127 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:08:37,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51800 5180 39.862 -39429 4368.9 -43798 -43798 -0.058099 0.10463 0.033173 25246 2023-02-16 02:08:39,404 INFO [main.py:643]
{rank 0/100} MD step = 51900 step time: 00:00:00.020495 Performance: 318.128 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:08:40,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51900 5190 39.276 -39454 4304.7 -43759 -43759 -0.057698 0.10543 0.033173 25308 2023-02-16 02:08:42,057 INFO [main.py:643]
{rank 0/100} MD step = 52000 step time: 00:00:00.020486 Performance: 318.142 ns/day 0.075 hours/ns 36.822 steps/s 2023-02-16 02:08:42,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52000 5200 39.801 -39473 4362.3 -43835 -43835 -0.057072 0.10619 0.032535 25341 2023-02-16 02:08:44,840 INFO [main.py:643]
{rank 0/100} MD step = 52100 step time: 00:00:00.020478 Performance: 318.127 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:08:45,367 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52100 5210 40.337 -39432 4421 -43853 -43853 -0.057489 0.10621 0.032449 25398 2023-02-16 02:08:47,559 INFO [main.py:643]
{rank 0/100} MD step = 52200 step time: 00:00:00.020554 Performance: 318.126 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:08:48,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52200 5220 40.335 -39402 4420.8 -43823 -43823 -0.056889 0.10591 0.033154 25444 2023-02-16 02:08:50,649 INFO [main.py:643]
{rank 0/100} MD step = 52300 step time: 00:00:00.020525 Performance: 318.043 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:08:51,252 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52300 5230 39.903 -39467 4373.4 -43841 -43841 -0.057298 0.10605 0.03345 25491 2023-02-16 02:08:53,304 INFO [main.py:643]
{rank 0/100} MD step = 52400 step time: 00:00:00.020465 Performance: 318.056 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:08:53,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52400 5240 39.535 -39483 4333 -43816 -43816 -0.057279 0.1074 0.033457 25544 2023-02-16 02:08:56,020 INFO [main.py:643]
{rank 0/100} MD step = 52500 step time: 00:00:00.021383 Performance: 318.057 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:08:56,653 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52500 5250 39.922 -39459 4375.5 -43834 -43834 -0.057451 0.10823 0.033316 25599 2023-02-16 02:08:58,700 INFO [main.py:643]
{rank 0/100} MD step = 52600 step time: 00:00:00.020501 Performance: 318.065 ns/day 0.075 hours/ns 36.813 steps/s 2023-02-16 02:08:59,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52600 5260 39.975 -39363 4381.3 -43744 -43744 -0.056308 0.10829 0.033945 25652 2023-02-16 02:09:01,428 INFO [main.py:643]
{rank 0/100} MD step = 52700 step time: 00:00:00.020481 Performance: 318.062 ns/day 0.075 hours/ns 36.813 steps/s 2023-02-16 02:09:02,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52700 5270 39.508 -39542 4330.1 -43872 -43872 -0.056632 0.10836 0.034954 25685 2023-02-16 02:09:04,111 INFO [main.py:643]
{rank 0/100} MD step = 52800 step time: 00:00:00.020392 Performance: 318.069 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:09:04,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52800 5280 39.964 -39427 4380.1 -43807 -43807 -0.056537 0.10878 0.035773 25731 2023-02-16 02:09:06,820 INFO [main.py:643]
{rank 0/100} MD step = 52900 step time: 00:00:00.020490 Performance: 318.071 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:09:07,427 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52900 5290 40.23 -39394 4409.3 -43803 -43803 -0.05566 0.10875 0.03484 25781 2023-02-16 02:09:09,485 INFO [main.py:643]
{rank 0/100} MD step = 53000 step time: 00:00:00.020240 Performance: 318.082 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:09:10,126 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53000 5300 39.683 -39464 4349.3 -43813 -43813 -0.05707 0.10951 0.03465 25824 2023-02-16 02:09:12,168 INFO [main.py:643]
{rank 0/100} MD step = 53100 step time: 00:00:00.020367 Performance: 318.090 ns/day 0.075 hours/ns 36.816 steps/s 2023-02-16 02:09:12,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53100 5310 40.337 -39428 4421 -43849 -43849 -0.057165 0.10978 0.035045 25877 2023-02-16 02:09:14,838 INFO [main.py:643]
{rank 0/100} MD step = 53200 step time: 00:00:00.020662 Performance: 318.100 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:09:15,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53200 5320 39.635 -39456 4344 -43800 -43800 -0.059851 0.11072 0.034316 25913 2023-02-16 02:09:17,611 INFO [main.py:643]
{rank 0/100} MD step = 53300 step time: 00:00:00.020338 Performance: 318.087 ns/day 0.075 hours/ns 36.816 steps/s 2023-02-16 02:09:18,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53300 5330 40.277 -39434 4414.4 -43848 -43848 -0.060441 0.11075 0.03333 25972 2023-02-16 02:09:20,368 INFO [main.py:643]
{rank 0/100} MD step = 53400 step time: 00:00:00.020441 Performance: 318.079 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:09:20,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53400 5340 40.105 -39402 4395.5 -43797 -43797 -0.060527 0.11199 0.033792 26027 2023-02-16 02:09:23,037 INFO [main.py:643]
{rank 0/100} MD step = 53500 step time: 00:00:00.020351 Performance: 318.089 ns/day 0.075 hours/ns 36.816 steps/s 2023-02-16 02:09:23,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53500 5350 39.317 -39493 4309.2 -43803 -43803 -0.059189 0.11211 0.032859 26083 2023-02-16 02:09:25,681 INFO [main.py:643]
{rank 0/100} MD step = 53600 step time: 00:00:00.020528 Performance: 318.105 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:09:26,328 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53600 5360 40.241 -39474 4410.5 -43884 -43884 -0.059946 0.11185 0.031907 26131 2023-02-16 02:09:28,380 INFO [main.py:643]
{rank 0/100} MD step = 53700 step time: 00:00:00.021845 Performance: 318.108 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:09:29,013 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53700 5370 39.608 -39488 4341.1 -43829 -43829 -0.06048 0.11159 0.031868 26181 2023-02-16 02:09:31,041 INFO [main.py:643]
{rank 0/100} MD step = 53800 step time: 00:00:00.020445 Performance: 318.120 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:09:31,605 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53800 5380 40.382 -39431 4426 -43857 -43857 -0.06108 0.11185 0.031554 26227 2023-02-16 02:09:33,703 INFO [main.py:643]
{rank 0/100} MD step = 53900 step time: 00:00:00.020622 Performance: 318.132 ns/day 0.075 hours/ns 36.821 steps/s 2023-02-16 02:09:34,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53900 5390 40.569 -39435 4446.4 -43882 -43882 -0.060956 0.11121 0.031307 26272 2023-02-16 02:09:36,368 INFO [main.py:643]
{rank 0/100} MD step = 54000 step time: 00:00:00.020445 Performance: 318.143 ns/day 0.075 hours/ns 36.822 steps/s 2023-02-16 02:09:36,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54000 5400 40.153 -39473 4400.8 -43874 -43874 -0.061632 0.10997 0.031687 26331 2023-02-16 02:09:39,055 INFO [main.py:643]
{rank 0/100} MD step = 54100 step time: 00:00:00.020563 Performance: 318.149 ns/day 0.075 hours/ns 36.823 steps/s 2023-02-16 02:09:39,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54100 5410 39.502 -39560 4329.4 -43889 -43889 -0.060994 0.11049 0.032192 26363 2023-02-16 02:09:41,697 INFO [main.py:643]
{rank 0/100} MD step = 54200 step time: 00:00:00.020453 Performance: 318.165 ns/day 0.075 hours/ns 36.825 steps/s 2023-02-16 02:09:42,147 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54200 5420 39.787 -39458 4360.7 -43819 -43819 -0.059315 0.11073 0.032421 26415 2023-02-16 02:09:44,345 INFO [main.py:643]
{rank 0/100} MD step = 54300 step time: 00:00:00.020327 Performance: 318.180 ns/day 0.075 hours/ns 36.826 steps/s 2023-02-16 02:09:44,970 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54300 5430 39.914 -39512 4374.6 -43887 -43887 -0.060927 0.11109 0.033059 26461 2023-02-16 02:09:47,000 INFO [main.py:643]
{rank 0/100} MD step = 54400 step time: 00:00:00.020585 Performance: 318.193 ns/day 0.075 hours/ns 36.828 steps/s 2023-02-16 02:09:47,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54400 5440 40.13 -39466 4398.3 -43864 -43864 -0.061194 0.11111 0.032802 26512 2023-02-16 02:09:49,718 INFO [main.py:643]
{rank 0/100} MD step = 54500 step time: 00:00:00.020532 Performance: 318.192 ns/day 0.075 hours/ns 36.828 steps/s 2023-02-16 02:09:50,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54500 5450 39.508 -39434 4330.1 -43764 -43764 -0.060994 0.11109 0.032192 26553 2023-02-16 02:09:52,399 INFO [main.py:643]
{rank 0/100} MD step = 54600 step time: 00:00:00.020490 Performance: 318.200 ns/day 0.075 hours/ns 36.829 steps/s 2023-02-16 02:09:52,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54600 5460 39.404 -39576 4318.7 -43895 -43895 -0.060832 0.11223 0.032616 26609 2023-02-16 02:09:55,043 INFO [main.py:643]
{rank 0/100} MD step = 54700 step time: 00:00:00.020730 Performance: 318.215 ns/day 0.075 hours/ns 36.830 steps/s 2023-02-16 02:09:55,581 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54700 5470 40.228 -39482 4409 -43891 -43891 -0.062842 0.11191 0.032383 26650 2023-02-16 02:09:57,730 INFO [main.py:643]
{rank 0/100} MD step = 54800 step time: 00:00:00.020510 Performance: 318.221 ns/day 0.075 hours/ns 36.831 steps/s 2023-02-16 02:09:58,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54800 5480 39.257 -39556 4302.6 -43859 -43859 -0.063651 0.11279 0.033035 26689 2023-02-16 02:10:00,426 INFO [main.py:643]
{rank 0/100} MD step = 54900 step time: 00:00:00.020435 Performance: 318.225 ns/day 0.075 hours/ns 36.832 steps/s 2023-02-16 02:10:00,921 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54900 5490 40.031 -39456 4387.5 -43843 -43843 -0.063718 0.11244 0.033907 26760 2023-02-16 02:10:03,116 INFO [main.py:643]
{rank 0/100} MD step = 55000 step time: 00:00:00.020414 Performance: 318.230 ns/day 0.075 hours/ns 36.832 steps/s 2023-02-16 02:10:04,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55000 5500 39.441 -39541 4322.8 -43864 -43864 -0.064251 0.11294 0.033811 26809 2023-02-16 02:10:06,400 INFO [main.py:643]
{rank 0/100} MD step = 55100 step time: 00:00:00.020364 Performance: 318.109 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:10:06,769 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55100 5510 39.975 -39451 4381.3 -43833 -43833 -0.063204 0.11298 0.033478 26848 2023-02-16 02:10:09,068 INFO [main.py:643]
{rank 0/100} MD step = 55200 step time: 00:00:00.020662 Performance: 318.120 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:10:09,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55200 5520 40.332 -39423 4420.5 -43844 -43844 -0.063342 0.1131 0.031468 26898 2023-02-16 02:10:11,781 INFO [main.py:643]
{rank 0/100} MD step = 55300 step time: 00:00:00.020646 Performance: 318.120 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:10:12,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55300 5530 40.217 -39418 4407.8 -43826 -43826 -0.061894 0.11355 0.030559 26939 2023-02-16 02:10:14,528 INFO [main.py:643]
{rank 0/100} MD step = 55400 step time: 00:00:00.020401 Performance: 318.114 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:10:15,006 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55400 5540 40.358 -39425 4423.2 -43849 -43849 -0.063008 0.11407 0.031907 26971 2023-02-16 02:10:17,190 INFO [main.py:643]
{rank 0/100} MD step = 55500 step time: 00:00:00.020467 Performance: 318.125 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:10:17,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55500 5550 40.444 -39412 4432.7 -43844 -43844 -0.063832 0.11382 0.031421 27016 2023-02-16 02:10:20,016 INFO [main.py:643]
{rank 0/100} MD step = 55600 step time: 00:00:00.020497 Performance: 318.102 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:10:20,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55600 5560 39.884 -39521 4371.3 -43893 -43893 -0.065108 0.11397 0.03204 27046 2023-02-16 02:10:22,822 INFO [main.py:643]
{rank 0/100} MD step = 55700 step time: 00:00:00.020493 Performance: 318.083 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:10:23,225 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55700 5570 40.27 -39380 4413.7 -43794 -43794 -0.065447 0.11396 0.032726 27100 2023-02-16 02:10:25,529 INFO [main.py:643]
{rank 0/100} MD step = 55800 step time: 00:00:00.020559 Performance: 318.085 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:10:26,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55800 5580 39.405 -39505 4318.8 -43824 -43824 -0.065061 0.11441 0.033249 27140 2023-02-16 02:10:28,257 INFO [main.py:643]
{rank 0/100} MD step = 55900 step time: 00:00:00.021803 Performance: 318.083 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:10:28,847 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55900 5590 40.534 -39424 4442.6 -43866 -43866 -0.063394 0.11484 0.033526 27200 2023-02-16 02:10:30,918 INFO [main.py:643]
{rank 0/100} MD step = 56000 step time: 00:00:00.020451 Performance: 318.094 ns/day 0.075 hours/ns 36.816 steps/s 2023-02-16 02:10:31,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56000 5600 39.692 -39498 4350.3 -43848 -43848 -0.063565 0.11545 0.033697 27237 2023-02-16 02:10:33,592 INFO [main.py:643]
{rank 0/100} MD step = 56100 step time: 00:00:00.020374 Performance: 318.103 ns/day 0.075 hours/ns 36.817 steps/s 2023-02-16 02:10:33,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56100 5610 40.291 -39428 4416 -43844 -43844 -0.063604 0.11519 0.033221 27284 2023-02-16 02:10:36,276 INFO [main.py:643]
{rank 0/100} MD step = 56200 step time: 00:00:00.020439 Performance: 318.109 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:10:36,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56200 5620 40.144 -39412 4399.9 -43812 -43812 -0.063746 0.11475 0.034388 27331 2023-02-16 02:10:38,955 INFO [main.py:643]
{rank 0/100} MD step = 56300 step time: 00:00:00.020564 Performance: 318.117 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:10:39,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56300 5630 40.407 -39391 4428.6 -43820 -43820 -0.063794 0.11465 0.034345 27394 2023-02-16 02:10:41,617 INFO [main.py:643]
{rank 0/100} MD step = 56400 step time: 00:00:00.020438 Performance: 318.129 ns/day 0.075 hours/ns 36.820 steps/s 2023-02-16 02:10:42,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56400 5640 39.928 -39475 4376.2 -43851 -43851 -0.063837 0.11425 0.035126 27439 2023-02-16 02:10:44,262 INFO [main.py:643]
{rank 0/100} MD step = 56500 step time: 00:00:00.020446 Performance: 318.143 ns/day 0.075 hours/ns 36.822 steps/s 2023-02-16 02:10:44,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56500 5650 40.428 -39381 4431 -43812 -43812 -0.062632 0.11496 0.035657 27487 2023-02-16 02:10:46,924 INFO [main.py:643]
{rank 0/100} MD step = 56600 step time: 00:00:00.020492 Performance: 318.154 ns/day 0.075 hours/ns 36.823 steps/s 2023-02-16 02:10:47,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56600 5660 40.13 -39462 4398.3 -43860 -43860 -0.063451 0.11521 0.035773 27525 2023-02-16 02:10:49,621 INFO [main.py:643]
{rank 0/100} MD step = 56700 step time: 00:00:00.020365 Performance: 318.158 ns/day 0.075 hours/ns 36.824 steps/s 2023-02-16 02:10:50,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56700 5670 40.3 -39409 4417 -43826 -43826 -0.064042 0.11401 0.035831 27574 2023-02-16 02:10:52,688 INFO [main.py:643]
{rank 0/100} MD step = 56800 step time: 00:00:00.020497 Performance: 318.086 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:10:53,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56800 5680 40.188 -39439 4404.7 -43844 -43844 -0.064685 0.11286 0.037102 27628 2023-02-16 02:10:55,407 INFO [main.py:643]
{rank 0/100} MD step = 56900 step time: 00:00:00.020622 Performance: 318.085 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:10:56,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56900 5690 40.488 -39369 4437.5 -43806 -43806 -0.065185 0.11311 0.037338 27675 2023-02-16 02:10:58,090 INFO [main.py:643]
{rank 0/100} MD step = 57000 step time: 00:00:00.020508 Performance: 318.092 ns/day 0.075 hours/ns 36.816 steps/s 2023-02-16 02:10:58,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57000 5700 40.139 -39495 4399.3 -43895 -43895 -0.065185 0.11382 0.036364 27721 2023-02-16 02:11:00,716 INFO [main.py:643]
{rank 0/100} MD step = 57100 step time: 00:00:00.020475 Performance: 318.110 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:11:01,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57100 5710 39.57 -39449 4336.9 -43786 -43786 -0.065404 0.11406 0.035993 27778 2023-02-16 02:11:03,454 INFO [main.py:643]
{rank 0/100} MD step = 57200 step time: 00:00:00.024081 Performance: 318.106 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:11:04,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57200 5720 40.213 -39475 4407.3 -43882 -43882 -0.064923 0.11425 0.036173 27803 2023-02-16 02:11:07,390 INFO [main.py:643]
{rank 0/100} MD step = 57300 step time: 00:00:00.020449 Performance: 317.857 ns/day 0.076 hours/ns 36.789 steps/s 2023-02-16 02:11:08,092 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57300 5730 39.779 -39506 4359.8 -43866 -43866 -0.064689 0.11453 0.036421 27874 2023-02-16 02:11:10,271 INFO [main.py:643]
{rank 0/100} MD step = 57400 step time: 00:00:00.020438 Performance: 317.824 ns/day 0.076 hours/ns 36.785 steps/s 2023-02-16 02:11:10,770 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57400 5740 40.307 -39437 4417.7 -43855 -43855 -0.063794 0.11488 0.037126 27916 2023-02-16 02:11:12,938 INFO [main.py:643]
{rank 0/100} MD step = 57500 step time: 00:00:00.020453 Performance: 317.834 ns/day 0.076 hours/ns 36.786 steps/s 2023-02-16 02:11:13,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57500 5750 39.656 -39476 4346.4 -43822 -43822 -0.063256 0.11563 0.038374 27957 2023-02-16 02:11:15,513 INFO [main.py:643]
{rank 0/100} MD step = 57600 step time: 00:00:00.020582 Performance: 317.863 ns/day 0.076 hours/ns 36.790 steps/s 2023-02-16 02:11:16,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57600 5760 40.128 -39362 4398.1 -43760 -43760 -0.064289 0.11631 0.038507 28014 2023-02-16 02:11:18,161 INFO [main.py:643]
{rank 0/100} MD step = 57700 step time: 00:00:00.020623 Performance: 317.877 ns/day 0.076 hours/ns 36.791 steps/s 2023-02-16 02:11:18,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57700 5770 40.129 -39499 4398.2 -43897 -43897 -0.064608 0.11543 0.039012 28052 2023-02-16 02:11:20,877 INFO [main.py:643]
{rank 0/100} MD step = 57800 step time: 00:00:00.020421 Performance: 317.878 ns/day 0.076 hours/ns 36.791 steps/s 2023-02-16 02:11:21,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57800 5780 39.812 -39510 4363.5 -43874 -43874 -0.064566 0.11667 0.03925 28100 2023-02-16 02:11:23,514 INFO [main.py:643]
{rank 0/100} MD step = 57900 step time: 00:00:00.020377 Performance: 317.894 ns/day 0.075 hours/ns 36.793 steps/s 2023-02-16 02:11:24,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57900 5790 40.017 -39414 4385.9 -43800 -43800 -0.065575 0.11777 0.038707 28151 2023-02-16 02:11:26,189 INFO [main.py:643]
{rank 0/100} MD step = 58000 step time: 00:00:00.020519 Performance: 317.903 ns/day 0.075 hours/ns 36.794 steps/s 2023-02-16 02:11:26,846 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58000 5800 39.885 -39563 4371.4 -43934 -43934 -0.066718 0.11774 0.03985 28209 2023-02-16 02:11:28,895 INFO [main.py:643]
{rank 0/100} MD step = 58100 step time: 00:00:00.020559 Performance: 317.905 ns/day 0.075 hours/ns 36.795 steps/s 2023-02-16 02:11:29,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58100 5810 39.908 -39514 4374 -43888 -43888 -0.067223 0.11776 0.039678 28254 2023-02-16 02:11:31,597 INFO [main.py:643]
{rank 0/100} MD step = 58200 step time: 00:00:00.020566 Performance: 317.908 ns/day 0.075 hours/ns 36.795 steps/s 2023-02-16 02:11:32,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58200 5820 40.377 -39360 4425.4 -43785 -43785 -0.067518 0.11859 0.039678 28298 2023-02-16 02:11:34,247 INFO [main.py:643]
{rank 0/100} MD step = 58300 step time: 00:00:00.020511 Performance: 317.922 ns/day 0.075 hours/ns 36.797 steps/s 2023-02-16 02:11:34,835 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58300 5830 40.376 -39356 4425.2 -43781 -43781 -0.068642 0.11911 0.040345 28353 2023-02-16 02:11:36,896 INFO [main.py:643]
{rank 0/100} MD step = 58400 step time: 00:00:00.020401 Performance: 317.936 ns/day 0.075 hours/ns 36.798 steps/s 2023-02-16 02:11:37,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58400 5840 40.277 -39479 4414.4 -43893 -43893 -0.069661 0.11939 0.041031 28394 2023-02-16 02:11:39,614 INFO [main.py:643]
{rank 0/100} MD step = 58500 step time: 00:00:00.020410 Performance: 317.936 ns/day 0.075 hours/ns 36.798 steps/s 2023-02-16 02:11:40,130 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58500 5850 39.883 -39413 4371.2 -43785 -43785 -0.070385 0.1194 0.04225 28457 2023-02-16 02:11:42,271 INFO [main.py:643]
{rank 0/100} MD step = 58600 step time: 00:00:00.020431 Performance: 317.948 ns/day 0.075 hours/ns 36.799 steps/s 2023-02-16 02:11:42,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58600 5860 39.401 -39544 4318.4 -43862 -43862 -0.069775 0.11957 0.042031 28508 2023-02-16 02:11:44,939 INFO [main.py:643]
{rank 0/100} MD step = 58700 step time: 00:00:00.020350 Performance: 317.958 ns/day 0.075 hours/ns 36.801 steps/s 2023-02-16 02:11:45,303 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58700 5870 41.25 -39327 4521 -43848 -43848 -0.071042 0.11971 0.041883 28553 2023-02-16 02:11:47,580 INFO [main.py:643]
{rank 0/100} MD step = 58800 step time: 00:00:00.020381 Performance: 317.973 ns/day 0.075 hours/ns 36.802 steps/s 2023-02-16 02:11:48,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58800 5880 39.524 -39496 4331.9 -43828 -43828 -0.071452 0.12054 0.041774 28600 2023-02-16 02:11:50,260 INFO [main.py:643]
{rank 0/100} MD step = 58900 step time: 00:00:00.020502 Performance: 317.980 ns/day 0.075 hours/ns 36.803 steps/s 2023-02-16 02:11:50,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58900 5890 40.551 -39340 4444.5 -43785 -43785 -0.071961 0.1205 0.042221 28649 2023-02-16 02:11:52,908 INFO [main.py:643]
{rank 0/100} MD step = 59000 step time: 00:00:00.020476 Performance: 317.994 ns/day 0.075 hours/ns 36.805 steps/s 2023-02-16 02:11:53,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59000 5900 40.229 -39399 4409.2 -43808 -43808 -0.070347 0.12112 0.042393 28685 2023-02-16 02:11:55,570 INFO [main.py:643]
{rank 0/100} MD step = 59100 step time: 00:00:00.020512 Performance: 318.005 ns/day 0.075 hours/ns 36.806 steps/s 2023-02-16 02:11:56,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59100 5910 39.637 -39482 4344.2 -43826 -43826 -0.07089 0.1213 0.042145 28730 2023-02-16 02:11:58,308 INFO [main.py:643]
{rank 0/100} MD step = 59200 step time: 00:00:00.021816 Performance: 318.001 ns/day 0.075 hours/ns 36.806 steps/s 2023-02-16 02:11:58,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59200 5920 39.555 -39522 4335.3 -43857 -43857 -0.071661 0.1214 0.04206 28785 2023-02-16 02:12:01,028 INFO [main.py:643]
{rank 0/100} MD step = 59300 step time: 00:00:00.020361 Performance: 318.000 ns/day 0.075 hours/ns 36.806 steps/s 2023-02-16 02:12:01,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59300 5930 39.845 -39496 4367 -43863 -43863 -0.072385 0.12273 0.042117 28838 2023-02-16 02:12:03,704 INFO [main.py:643]
{rank 0/100} MD step = 59400 step time: 00:00:00.020405 Performance: 318.008 ns/day 0.075 hours/ns 36.806 steps/s 2023-02-16 02:12:04,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59400 5940 40.233 -39415 4409.6 -43825 -43825 -0.071128 0.12235 0.042155 28867 2023-02-16 02:12:06,380 INFO [main.py:643]
{rank 0/100} MD step = 59500 step time: 00:00:00.020629 Performance: 318.016 ns/day 0.075 hours/ns 36.807 steps/s 2023-02-16 02:12:06,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59500 5950 40.124 -39469 4397.6 -43866 -43866 -0.070628 0.12262 0.041783 28924 2023-02-16 02:12:09,062 INFO [main.py:643]
{rank 0/100} MD step = 59600 step time: 00:00:00.020292 Performance: 318.023 ns/day 0.075 hours/ns 36.808 steps/s 2023-02-16 02:12:09,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59600 5960 39.813 -39554 4363.5 -43918 -43918 -0.071261 0.12382 0.041526 28973 2023-02-16 02:12:11,791 INFO [main.py:643]
{rank 0/100} MD step = 59700 step time: 00:00:00.020428 Performance: 318.021 ns/day 0.075 hours/ns 36.808 steps/s 2023-02-16 02:12:12,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59700 5970 39.845 -39512 4367.1 -43879 -43879 -0.071609 0.12387 0.041345 29030 2023-02-16 02:12:14,431 INFO [main.py:643]
{rank 0/100} MD step = 59800 step time: 00:00:00.020487 Performance: 318.036 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:12:15,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59800 5980 39.989 -39447 4382.9 -43830 -43830 -0.072614 0.12317 0.040759 29072 2023-02-16 02:12:17,104 INFO [main.py:643]
{rank 0/100} MD step = 59900 step time: 00:00:00.020632 Performance: 318.044 ns/day 0.075 hours/ns 36.811 steps/s 2023-02-16 02:12:17,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59900 5990 40.222 -39451 4408.4 -43860 -43860 -0.07319 0.12265 0.041279 29119 2023-02-16 02:12:19,837 INFO [main.py:643]
{rank 0/100} MD step = 60000 step time: 00:00:00.020519 Performance: 318.041 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:12:20,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60000 6000 39.982 -39515 4382.1 -43897 -43897 -0.073299 0.12338 0.041731 29171 2023-02-16 02:12:22,629 INFO [main.py:643]
{rank 0/100} MD step = 60100 step time: 00:00:00.020324 Performance: 318.026 ns/day 0.075 hours/ns 36.809 steps/s 2023-02-16 02:12:23,240 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60100 6010 39.884 -39421 4371.3 -43792 -43792 -0.074366 0.12311 0.042445 29207 2023-02-16 02:12:25,278 INFO [main.py:643]
{rank 0/100} MD step = 60200 step time: 00:00:00.020852 Performance: 318.039 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:12:25,951 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60200 6020 40.005 -39458 4384.6 -43843 -43843 -0.074252 0.12321 0.04224 29273 2023-02-16 02:12:27,981 INFO [main.py:643]
{rank 0/100} MD step = 60300 step time: 00:00:00.020589 Performance: 318.042 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:12:28,507 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60300 6030 39.888 -39491 4371.8 -43863 -43863 -0.072937 0.12352 0.042145 29292 2023-02-16 02:12:30,627 INFO [main.py:643]
{rank 0/100} MD step = 60400 step time: 00:00:00.020375 Performance: 318.056 ns/day 0.075 hours/ns 36.812 steps/s 2023-02-16 02:12:31,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60400 6040 39.995 -39443 4383.5 -43827 -43827 -0.073071 0.12499 0.042574 29368 2023-02-16 02:12:33,310 INFO [main.py:643]
{rank 0/100} MD step = 60500 step time: 00:00:00.020376 Performance: 318.062 ns/day 0.075 hours/ns 36.813 steps/s 2023-02-16 02:12:33,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60500 6050 40.168 -39455 4402.4 -43858 -43858 -0.073709 0.12574 0.043079 29390 2023-02-16 02:12:35,993 INFO [main.py:643]
{rank 0/100} MD step = 60600 step time: 00:00:00.020527 Performance: 318.069 ns/day 0.075 hours/ns 36.814 steps/s 2023-02-16 02:12:36,609 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60600 6060 40.424 -39393 4430.5 -43823 -43823 -0.073709 0.12603 0.043202 29452 2023-02-16 02:12:38,655 INFO [main.py:643]
{rank 0/100} MD step = 60700 step time: 00:00:00.020454 Performance: 318.079 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:12:39,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60700 6070 39.642 -39488 4344.9 -43833 -43833 -0.07289 0.12477 0.043336 29473 2023-02-16 02:12:41,347 INFO [main.py:643]
{rank 0/100} MD step = 60800 step time: 00:00:00.020499 Performance: 318.084 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:12:41,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60800 6080 39.921 -39426 4375.4 -43801 -43801 -0.073499 0.12435 0.043793 29513 2023-02-16 02:12:43,960 INFO [main.py:643]
{rank 0/100} MD step = 60900 step time: 00:00:00.020368 Performance: 318.104 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:12:44,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60900 6090 40.291 -39409 4415.9 -43825 -43825 -0.074195 0.12436 0.042669 29567 2023-02-16 02:12:46,652 INFO [main.py:643]
{rank 0/100} MD step = 61000 step time: 00:00:00.020507 Performance: 318.108 ns/day 0.075 hours/ns 36.818 steps/s 2023-02-16 02:12:47,285 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61000 6100 39.974 -39445 4381.2 -43827 -43827 -0.074899 0.12404 0.04244 29608 2023-02-16 02:12:49,331 INFO [main.py:643]
{rank 0/100} MD step = 61100 step time: 00:00:00.020373 Performance: 318.115 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:12:50,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61100 6110 39.886 -39404 4371.5 -43775 -43775 -0.074909 0.1241 0.042583 29641 2023-02-16 02:12:52,040 INFO [main.py:643]
{rank 0/100} MD step = 61200 step time: 00:00:00.020489 Performance: 318.117 ns/day 0.075 hours/ns 36.819 steps/s 2023-02-16 02:12:52,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61200 6120 39.766 -39450 4358.4 -43808 -43808 -0.074919 0.12414 0.041812 29710 2023-02-16 02:12:54,686 INFO [main.py:643]
{rank 0/100} MD step = 61300 step time: 00:00:00.020422 Performance: 318.130 ns/day 0.075 hours/ns 36.821 steps/s 2023-02-16 02:12:55,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61300 6130 40.447 -39444 4433.1 -43877 -43877 -0.074804 0.12456 0.042467 29751 2023-02-16 02:12:57,376 INFO [main.py:643]
{rank 0/100} MD step = 61400 step time: 00:00:00.020388 Performance: 318.135 ns/day 0.075 hours/ns 36.821 steps/s 2023-02-16 02:12:57,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61400 6140 39.778 -39490 4359.7 -43850 -43850 -0.076509 0.12437 0.042555 29784 2023-02-16 02:13:00,095 INFO [main.py:643]
{rank 0/100} MD step = 61500 step time: 00:00:00.020506 Performance: 318.135 ns/day 0.075 hours/ns 36.821 steps/s 2023-02-16 02:13:00,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61500 6150 39.437 -39546 4322.4 -43869 -43869 -0.076376 0.12433 0.042831 29842 2023-02-16 02:13:02,773 INFO [main.py:643]
{rank 0/100} MD step = 61600 step time: 00:00:00.020632 Performance: 318.142 ns/day 0.075 hours/ns 36.822 steps/s 2023-02-16 02:13:03,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61600 6160 39.998 -39438 4383.8 -43822 -43822 -0.074957 0.12552 0.043079 29904 2023-02-16 02:13:05,457 INFO [main.py:643]
{rank 0/100} MD step = 61700 step time: 00:00:00.020511 Performance: 318.148 ns/day 0.075 hours/ns 36.823 steps/s 2023-02-16 02:13:05,903 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61700 6170 39.949 -39499 4378.5 -43878 -43878 -0.076595 0.12534 0.042593 29960 2023-02-16 02:13:08,100 INFO [main.py:643]
{rank 0/100} MD step = 61800 step time: 00:00:00.020410 Performance: 318.162 ns/day 0.075 hours/ns 36.824 steps/s 2023-02-16 02:13:08,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61800 6180 39.6 -39600 4340.2 -43940 -43940 -0.077081 0.12608 0.04244 29993 2023-02-16 02:13:10,791 INFO [main.py:643]
{rank 0/100} MD step = 61900 step time: 00:00:00.020450 Performance: 318.166 ns/day 0.075 hours/ns 36.825 steps/s 2023-02-16 02:13:11,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61900 6190 40.023 -39462 4386.5 -43848 -43848 -0.07749 0.12664 0.042721 30053 2023-02-16 02:13:13,444 INFO [main.py:643]
{rank 0/100} MD step = 62000 step time: 00:00:00.020364 Performance: 318.178 ns/day 0.075 hours/ns 36.826 steps/s 2023-02-16 02:13:14,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62000 6200 40.565 -39394 4446 -43840 -43840 -0.079224 0.12683 0.042679 30083 2023-02-16 02:13:16,154 INFO [main.py:643]
{rank 0/100} MD step = 62100 step time: 00:00:00.020406 Performance: 318.179 ns/day 0.075 hours/ns 36.826 steps/s 2023-02-16 02:13:16,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62100 6210 40.165 -39476 4402.1 -43878 -43878 -0.0781 0.12667 0.042555 30124 2023-02-16 02:13:18,812 INFO [main.py:643]
{rank 0/100} MD step = 62200 step time: 00:00:00.020827 Performance: 318.190 ns/day 0.075 hours/ns 36.828 steps/s 2023-02-16 02:13:19,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62200 6220 39.686 -39518 4349.6 -43868 -43868 -0.078119 0.12721 0.042145 30182 2023-02-16 02:13:21,496 INFO [main.py:643]
{rank 0/100} MD step = 62300 step time: 00:00:00.020458 Performance: 318.196 ns/day 0.075 hours/ns 36.828 steps/s 2023-02-16 02:13:22,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62300 6230 39.845 -39406 4367.1 -43773 -43773 -0.078125 0.12768 0.042121 30245 2023-02-16 02:13:24,189 INFO [main.py:643]
{rank 0/100} MD step = 62400 step time: 00:00:00.020548 Performance: 318.200 ns/day 0.075 hours/ns 36.829 steps/s 2023-02-16 02:13:24,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62400 6240 40.403 -39413 4428.2 -43842 -43842 -0.077452 0.12864 0.041555 30264 2023-02-16 02:13:26,865 INFO [main.py:643]
{rank 0/100} MD step = 62500 step time: 00:00:00.020290 Performance: 318.207 ns/day 0.075 hours/ns 36.830 steps/s 2023-02-16 02:13:28,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62500 6250 39.862 -39519 4369 -43888 -43888 -0.079221 0.12776 0.040974 30323 2023-02-16 02:13:30,207 INFO [main.py:643]
{rank 0/100} MD step = 62600 step time: 00:00:00.020419 Performance: 318.090 ns/day 0.075 hours/ns 36.816 steps/s 2023-02-16 02:13:30,919 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62600 6260 39.842 -39431 4366.8 -43798 -43798 -0.077833 0.12863 0.041583 30375 2023-02-16 02:13:32,949 INFO [main.py:643]
{rank 0/100} MD step = 62700 step time: 00:00:00.020454 Performance: 318.085 ns/day 0.075 hours/ns 36.815 steps/s 2023-02-16 02:13:33,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62700 6270 39.801 -39445 4362.2 -43807 -43807 -0.078823 0.12721 0.041259 30415 2023-02-16 02:13:35,933 INFO [main.py:643]
{rank 0/100} MD step = 62800 step time: 00:00:00.020438 Performance: 318.035 ns/day 0.075 hours/ns 36.810 steps/s 2023-02-16 02:13:37,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62800 6280 40.559 -39462 4445.3 -43908 -43908 -0.081843 0.12806 0.041736 30466 2023-02-16 02:13:39,516 INFO [main.py:643]
{rank 0/100} MD step = 62900 step time: 00:00:00.020396 Performance: 317.874 ns/day 0.076 hours/ns 36.791 steps/s 2023-02-16 02:13:41,092 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62900 6290 39.936 -39503 4377 -43880 -43880 -0.081757 0.1283 0.042555 30510 2023-02-16 02:13:43,122 INFO [main.py:643]
{rank 0/100} MD step = 63000 step time: 00:00:00.020593 Performance: 317.709 ns/day 0.076 hours/ns 36.772 steps/s 2023-02-16 02:13:43,486 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63000 6300 39.586 -39484 4338.7 -43823 -43823 -0.080026 0.12813 0.044212 30576 2023-02-16 02:13:45,773 INFO [main.py:643]
{rank 0/100} MD step = 63100 step time: 00:00:00.020479 Performance: 317.722 ns/day 0.076 hours/ns 36.773 steps/s 2023-02-16 02:13:46,434 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63100 6310 40.306 -39375 4417.5 -43793 -43793 -0.080271 0.12852 0.042921 30612 2023-02-16 02:13:48,486 INFO [main.py:643]
{rank 0/100} MD step = 63200 step time: 00:00:00.020741 Performance: 317.723 ns/day 0.076 hours/ns 36.774 steps/s 2023-02-16 02:13:49,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63200 6320 40.274 -39410 4414.1 -43825 -43825 -0.079785 0.12764 0.043698 30657 2023-02-16 02:13:51,187 INFO [main.py:643]
{rank 0/100} MD step = 63300 step time: 00:00:00.020550 Performance: 317.727 ns/day 0.076 hours/ns 36.774 steps/s 2023-02-16 02:13:51,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63300 6330 39.267 -39525 4303.7 -43828 -43828 -0.081709 0.12839 0.043888 30696 2023-02-16 02:13:53,843 INFO [main.py:643]
{rank 0/100} MD step = 63400 step time: 00:00:00.020521 Performance: 317.738 ns/day 0.076 hours/ns 36.775 steps/s 2023-02-16 02:13:54,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63400 6340 40.271 -39485 4413.8 -43899 -43899 -0.083633 0.12747 0.044041 30746 2023-02-16 02:13:56,516 INFO [main.py:643]
{rank 0/100} MD step = 63500 step time: 00:00:00.020309 Performance: 317.747 ns/day 0.076 hours/ns 36.776 steps/s 2023-02-16 02:13:56,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63500 6350 39.337 -39482 4311.4 -43793 -43793 -0.084843 0.12782 0.044603 30790 2023-02-16 02:13:59,193 INFO [main.py:643]
{rank 0/100} MD step = 63600 step time: 00:00:00.020565 Performance: 317.755 ns/day 0.076 hours/ns 36.777 steps/s 2023-02-16 02:13:59,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63600 6360 39.78 -39432 4359.9 -43792 -43792 -0.084543 0.1276 0.044887 30844 2023-02-16 02:14:01,913 INFO [main.py:643]
{rank 0/100} MD step = 63700 step time: 00:00:00.020471 Performance: 317.754 ns/day 0.076 hours/ns 36.777 steps/s 2023-02-16 02:14:02,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63700 6370 39.637 -39472 4344.2 -43817 -43817 -0.084138 0.12732 0.044883 30875 2023-02-16 02:14:04,596 INFO [main.py:643]
{rank 0/100} MD step = 63800 step time: 00:00:00.020393 Performance: 317.761 ns/day 0.076 hours/ns 36.778 steps/s 2023-02-16 02:14:05,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63800 6380 39.743 -39431 4355.9 -43787 -43787 -0.085291 0.12797 0.04446 30933 2023-02-16 02:14:07,279 INFO [main.py:643]
{rank 0/100} MD step = 63900 step time: 00:00:00.020335 Performance: 317.768 ns/day 0.076 hours/ns 36.779 steps/s 2023-02-16 02:14:08,026 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63900 6390 40.204 -39472 4406.4 -43878 -43878 -0.085862 0.1281 0.043855 30971 2023-02-16 02:14:10,072 INFO [main.py:643]
{rank 0/100} MD step = 64000 step time: 00:00:00.020339 Performance: 317.754 ns/day 0.076 hours/ns 36.777 steps/s 2023-02-16 02:14:10,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64000 6400 40.481 -39493 4436.8 -43930 -43930 -0.087519 0.12855 0.043641 31014 2023-02-16 02:14:12,781 INFO [main.py:643]
{rank 0/100} MD step = 64100 step time: 00:00:00.020398 Performance: 317.756 ns/day 0.076 hours/ns 36.777 steps/s 2023-02-16 02:14:13,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64100 6410 39.352 -39493 4313.1 -43806 -43806 -0.087814 0.12892 0.043955 31063 2023-02-16 02:14:15,409 INFO [main.py:643]
{rank 0/100} MD step = 64200 step time: 00:00:00.020442 Performance: 317.772 ns/day 0.076 hours/ns 36.779 steps/s 2023-02-16 02:14:16,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64200 6420 39.787 -39553 4360.7 -43914 -43914 -0.087091 0.12882 0.043412 31118 2023-02-16 02:14:18,084 INFO [main.py:643]
{rank 0/100} MD step = 64300 step time: 00:00:00.020420 Performance: 317.781 ns/day 0.076 hours/ns 36.780 steps/s 2023-02-16 02:14:18,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64300 6430 40.244 -39336 4410.8 -43747 -43747 -0.089396 0.13029 0.04265 31175 2023-02-16 02:14:20,751 INFO [main.py:643]
{rank 0/100} MD step = 64400 step time: 00:00:00.020432 Performance: 317.790 ns/day 0.076 hours/ns 36.781 steps/s 2023-02-16 02:14:21,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64400 6440 40.294 -39466 4416.3 -43882 -43882 -0.088729 0.13128 0.042631 31208 2023-02-16 02:14:23,386 INFO [main.py:643]
{rank 0/100} MD step = 64500 step time: 00:00:00.020367 Performance: 317.805 ns/day 0.076 hours/ns 36.783 steps/s 2023-02-16 02:14:24,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64500 6450 39.885 -39613 4371.5 -43984 -43984 -0.087886 0.13213 0.043264 31248 2023-02-16 02:14:26,146 INFO [main.py:643]
{rank 0/100} MD step = 64600 step time: 00:00:00.020508 Performance: 317.798 ns/day 0.076 hours/ns 36.782 steps/s 2023-02-16 02:14:26,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64600 6460 40.259 -39357 4412.4 -43769 -43769 -0.087634 0.13203 0.043774 31316 2023-02-16 02:14:28,799 INFO [main.py:643]
{rank 0/100} MD step = 64700 step time: 00:00:00.020483 Performance: 317.809 ns/day 0.076 hours/ns 36.784 steps/s 2023-02-16 02:14:29,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64700 6470 40.026 -39476 4386.9 -43863 -43863 -0.088638 0.13341 0.043879 31355 2023-02-16 02:14:31,467 INFO [main.py:643]
{rank 0/100} MD step = 64800 step time: 00:00:00.020479 Performance: 317.819 ns/day 0.076 hours/ns 36.785 steps/s 2023-02-16 02:14:32,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64800 6480 39.671 -39368 4348 -43716 -43716 -0.088991 0.13376 0.043517 31401 2023-02-16 02:14:34,137 INFO [main.py:643]
{rank 0/100} MD step = 64900 step time: 00:00:00.020523 Performance: 317.827 ns/day 0.076 hours/ns 36.786 steps/s 2023-02-16 02:14:34,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64900 6490 40.354 -39424 4422.9 -43847 -43847 -0.0901 0.13382 0.043595 31450 2023-02-16 02:14:36,817 INFO [main.py:643]
{rank 0/100} MD step = 65000 step time: 00:00:00.022717 Performance: 317.834 ns/day 0.076 hours/ns 36.786 steps/s 2023-02-16 02:14:37,492 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65000 6500 39.69 -39454 4350.1 -43804 -43804 -0.089772 0.13451 0.044669 31487 2023-02-16 02:14:39,535 INFO [main.py:643]
{rank 0/100} MD step = 65100 step time: 00:00:00.020350 Performance: 317.834 ns/day 0.076 hours/ns 36.786 steps/s 2023-02-16 02:14:39,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65100 6510 39.779 -39514 4359.8 -43873 -43873 -0.089605 0.13463 0.044393 31553 2023-02-16 02:14:42,192 INFO [main.py:643]
{rank 0/100} MD step = 65200 step time: 00:00:00.020370 Performance: 317.845 ns/day 0.076 hours/ns 36.788 steps/s 2023-02-16 02:14:42,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65200 6520 40.467 -39410 4435.3 -43845 -43845 -0.089748 0.13523 0.044155 31615 2023-02-16 02:14:44,887 INFO [main.py:643]
{rank 0/100} MD step = 65300 step time: 00:00:00.020433 Performance: 317.850 ns/day 0.076 hours/ns 36.788 steps/s 2023-02-16 02:14:45,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65300 6530 40.295 -39445 4416.3 -43862 -43862 -0.088786 0.13445 0.044498 31658 2023-02-16 02:14:47,599 INFO [main.py:643]
{rank 0/100} MD step = 65400 step time: 00:00:00.020506 Performance: 317.851 ns/day 0.076 hours/ns 36.788 steps/s 2023-02-16 02:14:48,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65400 6540 40.445 -39388 4432.8 -43821 -43821 -0.089472 0.13456 0.044707 31707 2023-02-16 02:14:50,335 INFO [main.py:643]
{rank 0/100} MD step = 65500 step time: 00:00:00.020692 Performance: 317.847 ns/day 0.076 hours/ns 36.788 steps/s 2023-02-16 02:14:50,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65500 6550 39.857 -39530 4368.3 -43898 -43898 -0.090005 0.1346 0.044712 31755 2023-02-16 02:14:52,983 INFO [main.py:643]
{rank 0/100} MD step = 65600 step time: 00:00:00.020262 Performance: 317.860 ns/day 0.076 hours/ns 36.789 steps/s 2023-02-16 02:14:54,118 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65600 6560 39.377 -39496 4315.8 -43812 -43812 -0.089248 0.13452 0.045145 31813 2023-02-16 02:14:56,341 INFO [main.py:643]
{rank 0/100} MD step = 65700 step time: 00:00:00.020372 Performance: 317.746 ns/day 0.076 hours/ns 36.776 steps/s 2023-02-16 02:14:56,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65700 6570 40.176 -39400 4403.3 -43803 -43803 -0.090177 0.135 0.045403 31851 2023-02-16 02:14:59,011 INFO [main.py:643]
{rank 0/100} MD step = 65800 step time: 00:00:00.020316 Performance: 317.755 ns/day 0.076 hours/ns 36.777 steps/s 2023-02-16 02:14:59,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65800 6580 41.118 -39322 4506.5 -43829 -43829 -0.091491 0.13599 0.044622 31905 2023-02-16 02:15:01,719 INFO [main.py:643]
{rank 0/100} MD step = 65900 step time: 00:00:00.020455 Performance: 317.757 ns/day 0.076 hours/ns 36.777 steps/s 2023-02-16 02:15:02,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65900 6590 40.786 -39389 4470.2 -43859 -43859 -0.091986 0.13626 0.044117 31953 2023-02-16 02:15:04,376 INFO [main.py:643]
{rank 0/100} MD step = 66000 step time: 00:00:00.020428 Performance: 317.768 ns/day 0.076 hours/ns 36.779 steps/s 2023-02-16 02:15:05,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66000 6600 40.283 -39439 4415.1 -43854 -43854 -0.091934 0.13664 0.044783 32011 2023-02-16 02:15:07,238 INFO [main.py:643]
{rank 0/100} MD step = 66100 step time: 00:00:00.020364 Performance: 317.743 ns/day 0.076 hours/ns 36.776 steps/s 2023-02-16 02:15:08,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66100 6610 40.056 -39491 4390.2 -43881 -43881 -0.093567 0.13694 0.044803 32048 2023-02-16 02:15:10,173 INFO [main.py:643]
{rank 0/100} MD step = 66200 step time: 00:00:00.020890 Performance: 317.704 ns/day 0.076 hours/ns 36.771 steps/s 2023-02-16 02:15:10,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66200 6620 39.799 -39377 4362 -43739 -43739 -0.094101 0.13692 0.044631 32117 2023-02-16 02:15:12,812 INFO [main.py:643]
{rank 0/100} MD step = 66300 step time: 00:00:00.020538 Performance: 317.719 ns/day 0.076 hours/ns 36.773 steps/s 2023-02-16 02:15:13,325 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66300 6630 39.892 -39453 4372.2 -43825 -43825 -0.094334 0.13759 0.04596 32156 2023-02-16 02:15:15,463 INFO [main.py:643]
{rank 0/100} MD step = 66400 step time: 00:00:00.020451 Performance: 317.731 ns/day 0.076 hours/ns 36.774 steps/s 2023-02-16 02:15:16,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66400 6640 39.882 -39392 4371.1 -43763 -43763 -0.095062 0.13757 0.045193 32214 2023-02-16 02:15:18,240 INFO [main.py:643]
{rank 0/100} MD step = 66500 step time: 00:00:00.021954 Performance: 317.721 ns/day 0.076 hours/ns 36.773 steps/s 2023-02-16 02:15:18,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66500 6650 40.052 -39492 4389.8 -43882 -43882 -0.094615 0.13896 0.045317 32246 2023-02-16 02:15:20,907 INFO [main.py:643]
{rank 0/100} MD step = 66600 step time: 00:00:00.020409 Performance: 317.730 ns/day 0.076 hours/ns 36.774 steps/s 2023-02-16 02:15:21,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66600 6660 40.321 -39453 4419.2 -43872 -43872 -0.096424 0.13913 0.044631 32291 2023-02-16 02:15:23,683 INFO [main.py:643]
{rank 0/100} MD step = 66700 step time: 00:00:00.020463 Performance: 317.720 ns/day 0.076 hours/ns 36.773 steps/s 2023-02-16 02:15:24,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66700 6670 40.108 -39373 4395.9 -43769 -43769 -0.09711 0.1388 0.04455 32350 2023-02-16 02:15:26,384 INFO [main.py:643]
{rank 0/100} MD step = 66800 step time: 00:00:00.020566 Performance: 317.723 ns/day 0.076 hours/ns 36.774 steps/s 2023-02-16 02:15:27,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66800 6680 40.025 -39410 4386.8 -43797 -43797 -0.097605 0.13883 0.044041 32401 2023-02-16 02:15:29,117 INFO [main.py:643]
{rank 0/100} MD step = 66900 step time: 00:00:00.020474 Performance: 317.721 ns/day 0.076 hours/ns 36.773 steps/s 2023-02-16 02:15:29,482 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66900 6690 40.614 -39358 4451.3 -43810 -43810 -0.097377 0.1389 0.043521 32451 2023-02-16 02:15:31,765 INFO [main.py:643]
{rank 0/100} MD step = 67000 step time: 00:00:00.020539 Performance: 317.733 ns/day 0.076 hours/ns 36.775 steps/s 2023-02-16 02:15:32,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67000 6700 40.227 -39480 4409 -43889 -43889 -0.096539 0.13871 0.042783 32498 2023-02-16 02:15:34,422 INFO [main.py:643]
{rank 0/100} MD step = 67100 step time: 00:00:00.020425 Performance: 317.744 ns/day 0.076 hours/ns 36.776 steps/s 2023-02-16 02:15:35,091 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67100 6710 39.393 -39534 4317.5 -43852 -43852 -0.097663 0.1397 0.042012 32549 2023-02-16 02:15:37,180 INFO [main.py:643]
{rank 0/100} MD step = 67200 step time: 00:00:00.020357 Performance: 317.737 ns/day 0.076 hours/ns 36.775 steps/s 2023-02-16 02:15:39,003 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67200 6720 39.855 -39398 4368.2 -43767 -43767 -0.098491 0.13963 0.041393 32595 2023-02-16 02:15:41,035 INFO [main.py:643]
{rank 0/100} MD step = 67300 step time: 00:00:00.020466 Performance: 317.540 ns/day 0.076 hours/ns 36.752 steps/s 2023-02-16 02:15:41,470 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67300 6730 40.064 -39458 4391 -43849 -43849 -0.098329 0.14035 0.040821 32635 2023-02-16 02:15:43,744 INFO [main.py:643]
{rank 0/100} MD step = 67400 step time: 00:00:00.020573 Performance: 317.542 ns/day 0.076 hours/ns 36.753 steps/s 2023-02-16 02:15:47,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67400 6740 39.902 -39494 4373.3 -43867 -43867 -0.099282 0.14108 0.039588 32683 2023-02-16 02:15:49,157 INFO [main.py:643]
{rank 0/100} MD step = 67500 step time: 00:00:00.020493 Performance: 317.077 ns/day 0.076 hours/ns 36.699 steps/s 2023-02-16 02:15:49,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67500 6750 39.764 -39442 4358.2 -43800 -43800 -0.10134 0.14112 0.039426 32750 2023-02-16 02:15:51,833 INFO [main.py:643]
{rank 0/100} MD step = 67600 step time: 00:00:00.020637 Performance: 317.086 ns/day 0.076 hours/ns 36.700 steps/s 2023-02-16 02:15:52,606 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67600 6760 40.397 -39433 4427.6 -43861 -43861 -0.098958 0.14151 0.04004 32800 2023-02-16 02:15:54,631 INFO [main.py:643]
{rank 0/100} MD step = 67700 step time: 00:00:00.020392 Performance: 317.073 ns/day 0.076 hours/ns 36.698 steps/s 2023-02-16 02:15:55,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67700 6770 40.359 -39415 4423.4 -43839 -43839 -0.098367 0.14197 0.039859 32842 2023-02-16 02:15:57,315 INFO [main.py:643]
{rank 0/100} MD step = 67800 step time: 00:00:00.020372 Performance: 317.080 ns/day 0.076 hours/ns 36.699 steps/s 2023-02-16 02:15:58,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67800 6780 39.974 -39445 4381.2 -43827 -43827 -0.098996 0.1424 0.04025 32901 2023-02-16 02:16:00,161 INFO [main.py:643]
{rank 0/100} MD step = 67900 step time: 00:00:00.020559 Performance: 317.059 ns/day 0.076 hours/ns 36.697 steps/s 2023-02-16 02:16:00,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67900 6790 39.829 -39583 4365.3 -43948 -43948 -0.099853 0.14255 0.041776 32924 2023-02-16 02:16:02,847 INFO [main.py:643]
{rank 0/100} MD step = 68000 step time: 00:00:00.020379 Performance: 317.066 ns/day 0.076 hours/ns 36.697 steps/s 2023-02-16 02:16:03,404 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68000 6800 40.202 -39480 4406.1 -43886 -43886 -0.098748 0.14341 0.040793 32985 2023-02-16 02:16:05,555 INFO [main.py:643]
{rank 0/100} MD step = 68100 step time: 00:00:00.020517 Performance: 317.069 ns/day 0.076 hours/ns 36.698 steps/s 2023-02-16 02:16:05,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68100 6810 40.163 -39427 4401.9 -43829 -43829 -0.09931 0.14383 0.040112 33026 2023-02-16 02:16:08,297 INFO [main.py:643]
{rank 0/100} MD step = 68200 step time: 00:00:00.021812 Performance: 317.066 ns/day 0.076 hours/ns 36.697 steps/s 2023-02-16 02:16:08,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68200 6820 39.947 -39394 4378.3 -43773 -43773 -0.099725 0.14439 0.039831 33066 2023-02-16 02:16:10,993 INFO [main.py:643]
{rank 0/100} MD step = 68300 step time: 00:00:00.020483 Performance: 317.071 ns/day 0.076 hours/ns 36.698 steps/s 2023-02-16 02:16:11,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68300 6830 39.786 -39447 4360.6 -43808 -43808 -0.099134 0.14415 0.03925 33102 2023-02-16 02:16:13,677 INFO [main.py:643]
{rank 0/100} MD step = 68400 step time: 00:00:00.020328 Performance: 317.078 ns/day 0.076 hours/ns 36.699 steps/s 2023-02-16 02:16:14,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68400 6840 40.024 -39380 4386.6 -43766 -43766 -0.099339 0.14488 0.039459 33181 2023-02-16 02:16:16,360 INFO [main.py:643]
{rank 0/100} MD step = 68500 step time: 00:00:00.020374 Performance: 317.085 ns/day 0.076 hours/ns 36.700 steps/s 2023-02-16 02:16:17,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68500 6850 38.726 -39579 4244.4 -43824 -43824 -0.10048 0.14547 0.039583 33195 2023-02-16 02:16:19,067 INFO [main.py:643]
{rank 0/100} MD step = 68600 step time: 00:00:00.020364 Performance: 317.088 ns/day 0.076 hours/ns 36.700 steps/s 2023-02-16 02:16:19,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68600 6860 40.073 -39458 4392 -43850 -43850 -0.10102 0.14521 0.040931 33250 2023-02-16 02:16:21,725 INFO [main.py:643]
{rank 0/100} MD step = 68700 step time: 00:00:00.020399 Performance: 317.100 ns/day 0.076 hours/ns 36.701 steps/s 2023-02-16 02:16:23,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68700 6870 40.141 -39369 4399.5 -43769 -43769 -0.10055 0.1462 0.04115 33302 2023-02-16 02:16:25,955 INFO [main.py:643]
{rank 0/100} MD step = 68800 step time: 00:00:00.020365 Performance: 316.845 ns/day 0.076 hours/ns 36.672 steps/s 2023-02-16 02:16:27,073 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68800 6880 39.883 -39449 4371.3 -43821 -43821 -0.099568 0.14587 0.04164 33340 2023-02-16 02:16:29,136 INFO [main.py:643]
{rank 0/100} MD step = 68900 step time: 00:00:00.020433 Performance: 316.769 ns/day 0.076 hours/ns 36.663 steps/s 2023-02-16 02:16:29,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68900 6890 40.025 -39492 4386.8 -43879 -43879 -0.098396 0.14559 0.042155 33401 2023-02-16 02:16:31,800 INFO [main.py:643]
{rank 0/100} MD step = 69000 step time: 00:00:00.020322 Performance: 316.779 ns/day 0.076 hours/ns 36.664 steps/s 2023-02-16 02:16:32,416 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69000 6900 40.445 -39510 4432.8 -43943 -43943 -0.098144 0.14603 0.042364 33441 2023-02-16 02:16:34,517 INFO [main.py:643]
{rank 0/100} MD step = 69100 step time: 00:00:00.020447 Performance: 316.781 ns/day 0.076 hours/ns 36.664 steps/s 2023-02-16 02:16:36,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69100 6910 39.323 -39563 4309.9 -43872 -43872 -0.099079 0.14651 0.042383 33493 2023-02-16 02:16:38,894 INFO [main.py:643]
{rank 0/100} MD step = 69200 step time: 00:00:00.020376 Performance: 316.504 ns/day 0.076 hours/ns 36.632 steps/s 2023-02-16 02:16:39,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69200 6920 40.319 -39392 4419 -43811 -43811 -0.099358 0.14727 0.041712 33535 2023-02-16 02:16:41,765 INFO [main.py:643]
{rank 0/100} MD step = 69300 step time: 00:00:00.020338 Performance: 316.481 ns/day 0.076 hours/ns 36.630 steps/s 2023-02-16 02:16:42,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69300 6930 39.571 -39505 4337 -43842 -43842 -0.09951 0.14808 0.041983 33574 2023-02-16 02:16:44,534 INFO [main.py:643]
{rank 0/100} MD step = 69400 step time: 00:00:00.020358 Performance: 316.474 ns/day 0.076 hours/ns 36.629 steps/s 2023-02-16 02:16:45,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69400 6940 39.625 -39503 4343 -43846 -43846 -0.099863 0.14877 0.04206 33634 2023-02-16 02:16:47,256 INFO [main.py:643]
{rank 0/100} MD step = 69500 step time: 00:00:00.020519 Performance: 316.476 ns/day 0.076 hours/ns 36.629 steps/s 2023-02-16 02:16:47,806 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69500 6950 40.121 -39474 4397.4 -43872 -43872 -0.09877 0.14927 0.042593 33683 2023-02-16 02:16:50,038 INFO [main.py:643]
{rank 0/100} MD step = 69600 step time: 00:00:00.020591 Performance: 316.467 ns/day 0.076 hours/ns 36.628 steps/s 2023-02-16 02:16:50,530 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69600 6960 39.532 -39491 4332.7 -43823 -43823 -0.097205 0.14943 0.04244 33738 2023-02-16 02:16:52,745 INFO [main.py:643]
{rank 0/100} MD step = 69700 step time: 00:00:00.020485 Performance: 316.471 ns/day 0.076 hours/ns 36.629 steps/s 2023-02-16 02:16:53,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69700 6970 39.598 -39455 4340 -43795 -43795 -0.095548 0.15013 0.041774 33792 2023-02-16 02:16:55,398 INFO [main.py:643]
{rank 0/100} MD step = 69800 step time: 00:00:00.020393 Performance: 316.484 ns/day 0.076 hours/ns 36.630 steps/s 2023-02-16 02:16:55,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69800 6980 40.229 -39486 4409.1 -43895 -43895 -0.096424 0.14977 0.040819 33826 2023-02-16 02:16:58,082 INFO [main.py:643]
{rank 0/100} MD step = 69900 step time: 00:00:00.020632 Performance: 316.491 ns/day 0.076 hours/ns 36.631 steps/s 2023-02-16 02:16:58,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69900 6990 39.99 -39541 4383 -43924 -43924 -0.095129 0.14959 0.040248 33891 2023-02-16 02:17:00,761 INFO [main.py:643]
{rank 0/100} MD step = 70000 step time: 00:00:00.020257 Performance: 316.500 ns/day 0.076 hours/ns 36.632 steps/s 2023-02-16 02:17:01,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70000 7000 40.045 -39493 4389 -43882 -43882 -0.095186 0.14928 0.040507 33932 2023-02-16 02:17:03,449 INFO [main.py:643]
{rank 0/100} MD step = 70100 step time: 00:00:00.020479 Performance: 316.507 ns/day 0.076 hours/ns 36.633 steps/s 2023-02-16 02:17:04,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70100 7010 40.225 -39412 4408.7 -43821 -43821 -0.095643 0.14951 0.041574 33993 2023-02-16 02:17:06,458 INFO [main.py:643]
{rank 0/100} MD step = 70200 step time: 00:00:00.020495 Performance: 316.460 ns/day 0.076 hours/ns 36.627 steps/s 2023-02-16 02:17:07,090 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70200 7020 39.704 -39471 4351.6 -43823 -43823 -0.095005 0.15032 0.042074 34040 2023-02-16 02:17:09,182 INFO [main.py:643]
{rank 0/100} MD step = 70300 step time: 00:00:00.020370 Performance: 316.461 ns/day 0.076 hours/ns 36.627 steps/s 2023-02-16 02:17:09,549 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70300 7030 40.31 -39434 4418 -43852 -43852 -0.094986 0.15113 0.042126 34085 2023-02-16 02:17:11,836 INFO [main.py:643]
{rank 0/100} MD step = 70400 step time: 00:00:00.020602 Performance: 316.474 ns/day 0.076 hours/ns 36.629 steps/s 2023-02-16 02:17:12,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70400 7040 40.084 -39431 4393.3 -43825 -43825 -0.093358 0.15237 0.042879 34147 2023-02-16 02:17:14,501 INFO [main.py:643]
{rank 0/100} MD step = 70500 step time: 00:00:00.020474 Performance: 316.485 ns/day 0.076 hours/ns 36.630 steps/s 2023-02-16 02:17:14,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70500 7050 39.868 -39520 4369.6 -43890 -43890 -0.092386 0.15239 0.04164 34186 2023-02-16 02:17:17,234 INFO [main.py:643]
{rank 0/100} MD step = 70600 step time: 00:00:00.020437 Performance: 316.484 ns/day 0.076 hours/ns 36.630 steps/s 2023-02-16 02:17:17,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70600 7060 39.55 -39492 4334.7 -43826 -43826 -0.092024 0.15214 0.042369 34250 2023-02-16 02:17:19,899 INFO [main.py:643]
{rank 0/100} MD step = 70700 step time: 00:00:00.020541 Performance: 316.495 ns/day 0.076 hours/ns 36.631 steps/s 2023-02-16 02:17:20,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70700 7070 39.795 -39429 4361.6 -43791 -43791 -0.091548 0.15215 0.042564 34292 2023-02-16 02:17:22,543 INFO [main.py:643]
{rank 0/100} MD step = 70800 step time: 00:00:00.020406 Performance: 316.509 ns/day 0.076 hours/ns 36.633 steps/s 2023-02-16 02:17:23,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70800 7080 40.279 -39416 4414.6 -43830 -43830 -0.089815 0.15287 0.04235 34333 2023-02-16 02:17:25,196 INFO [main.py:643]
{rank 0/100} MD step = 70900 step time: 00:00:00.020470 Performance: 316.522 ns/day 0.076 hours/ns 36.634 steps/s 2023-02-16 02:17:25,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70900 7090 39.494 -39453 4328.6 -43782 -43782 -0.090915 0.1533 0.043279 34381 2023-02-16 02:17:27,915 INFO [main.py:643]
{rank 0/100} MD step = 71000 step time: 00:00:00.020391 Performance: 316.523 ns/day 0.076 hours/ns 36.635 steps/s 2023-02-16 02:17:28,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71000 7100 40.464 -39466 4435 -43901 -43901 -0.090977 0.1534 0.042536 34440 2023-02-16 02:17:30,629 INFO [main.py:643]
{rank 0/100} MD step = 71100 step time: 00:00:00.020448 Performance: 316.526 ns/day 0.076 hours/ns 36.635 steps/s 2023-02-16 02:17:31,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71100 7110 39.926 -39463 4375.9 -43839 -43839 -0.091948 0.15374 0.042383 34497 2023-02-16 02:17:33,320 INFO [main.py:643]
{rank 0/100} MD step = 71200 step time: 00:00:00.020457 Performance: 316.532 ns/day 0.076 hours/ns 36.636 steps/s 2023-02-16 02:17:33,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71200 7120 39.848 -39436 4367.3 -43803 -43803 -0.092486 0.15465 0.042574 34555 2023-02-16 02:17:35,971 INFO [main.py:643]
{rank 0/100} MD step = 71300 step time: 00:00:00.020342 Performance: 316.545 ns/day 0.076 hours/ns 36.637 steps/s 2023-02-16 02:17:36,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71300 7130 40.053 -39437 4389.9 -43827 -43827 -0.090796 0.1548 0.04245 34594 2023-02-16 02:17:38,662 INFO [main.py:643]
{rank 0/100} MD step = 71400 step time: 00:00:00.020409 Performance: 316.551 ns/day 0.076 hours/ns 36.638 steps/s 2023-02-16 02:17:39,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71400 7140 40.036 -39421 4388 -43809 -43809 -0.091738 0.15479 0.042155 34639 2023-02-16 02:17:41,333 INFO [main.py:643]
{rank 0/100} MD step = 71500 step time: 00:00:00.020510 Performance: 316.561 ns/day 0.076 hours/ns 36.639 steps/s 2023-02-16 02:17:41,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71500 7150 39.937 -39477 4377.2 -43855 -43855 -0.091377 0.15413 0.04206 34677 2023-02-16 02:17:43,997 INFO [main.py:643]
{rank 0/100} MD step = 71600 step time: 00:00:00.020531 Performance: 316.571 ns/day 0.076 hours/ns 36.640 steps/s 2023-02-16 02:17:44,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71600 7160 40.334 -39382 4420.7 -43802 -43802 -0.090377 0.15339 0.041698 34732 2023-02-16 02:17:46,664 INFO [main.py:643]
{rank 0/100} MD step = 71700 step time: 00:00:00.020261 Performance: 316.581 ns/day 0.076 hours/ns 36.641 steps/s 2023-02-16 02:17:47,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71700 7170 39.923 -39421 4375.6 -43796 -43796 -0.089757 0.1541 0.04145 34779 2023-02-16 02:17:49,343 INFO [main.py:643]
{rank 0/100} MD step = 71800 step time: 00:00:00.020445 Performance: 316.589 ns/day 0.076 hours/ns 36.642 steps/s 2023-02-16 02:17:49,951 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71800 7180 40.008 -39446 4385 -43831 -43831 -0.089148 0.15343 0.042374 34836 2023-02-16 02:17:51,998 INFO [main.py:643]
{rank 0/100} MD step = 71900 step time: 00:00:00.020467 Performance: 316.601 ns/day 0.076 hours/ns 36.644 steps/s 2023-02-16 02:17:52,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71900 7190 40.238 -39307 4410.1 -43717 -43717 -0.089572 0.15214 0.042002 34895 2023-02-16 02:17:54,732 INFO [main.py:643]
{rank 0/100} MD step = 72000 step time: 00:00:00.020464 Performance: 316.600 ns/day 0.076 hours/ns 36.644 steps/s 2023-02-16 02:17:55,232 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72000 7200 40.448 -39473 4433.2 -43906 -43906 -0.089386 0.15243 0.041445 34941 2023-02-16 02:17:57,427 INFO [main.py:643]
{rank 0/100} MD step = 72100 step time: 00:00:00.020528 Performance: 316.606 ns/day 0.076 hours/ns 36.644 steps/s 2023-02-16 02:17:57,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72100 7210 40.352 -39337 4422.6 -43760 -43760 -0.089953 0.15197 0.041688 35009 2023-02-16 02:18:00,045 INFO [main.py:643]
{rank 0/100} MD step = 72200 step time: 00:00:00.020351 Performance: 316.624 ns/day 0.076 hours/ns 36.646 steps/s 2023-02-16 02:18:00,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72200 7220 40.242 -39437 4410.5 -43847 -43847 -0.091386 0.15282 0.042026 35050 2023-02-16 02:18:02,752 INFO [main.py:643]
{rank 0/100} MD step = 72300 step time: 00:00:00.020547 Performance: 316.627 ns/day 0.076 hours/ns 36.647 steps/s 2023-02-16 02:18:03,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72300 7230 40.151 -39461 4400.6 -43862 -43862 -0.08991 0.15342 0.042212 35113 2023-02-16 02:18:05,406 INFO [main.py:643]
{rank 0/100} MD step = 72400 step time: 00:00:00.020409 Performance: 316.639 ns/day 0.076 hours/ns 36.648 steps/s 2023-02-16 02:18:06,041 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72400 7240 39.808 -39485 4363.1 -43848 -43848 -0.089129 0.15328 0.042841 35153 2023-02-16 02:18:08,080 INFO [main.py:643]
{rank 0/100} MD step = 72500 step time: 00:00:00.020302 Performance: 316.648 ns/day 0.076 hours/ns 36.649 steps/s 2023-02-16 02:18:08,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72500 7250 40.158 -39420 4401.4 -43822 -43822 -0.090081 0.15343 0.042802 35208 2023-02-16 02:18:10,743 INFO [main.py:643]
{rank 0/100} MD step = 72600 step time: 00:00:00.020375 Performance: 316.659 ns/day 0.076 hours/ns 36.650 steps/s 2023-02-16 02:18:11,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72600 7260 40.219 -39460 4408 -43868 -43868 -0.092143 0.15333 0.042821 35266 2023-02-16 02:18:13,447 INFO [main.py:643]
{rank 0/100} MD step = 72700 step time: 00:00:00.020475 Performance: 316.662 ns/day 0.076 hours/ns 36.651 steps/s 2023-02-16 02:18:14,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72700 7270 40.311 -39451 4418.2 -43870 -43870 -0.091367 0.15237 0.042593 35310 2023-02-16 02:18:16,138 INFO [main.py:643]
{rank 0/100} MD step = 72800 step time: 00:00:00.020468 Performance: 316.668 ns/day 0.076 hours/ns 36.651 steps/s 2023-02-16 02:18:16,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72800 7280 40.933 -39398 4486.3 -43884 -43884 -0.0913 0.15319 0.042631 35361 2023-02-16 02:18:18,891 INFO [main.py:643]
{rank 0/100} MD step = 72900 step time: 00:00:00.020377 Performance: 316.664 ns/day 0.076 hours/ns 36.651 steps/s 2023-02-16 02:18:19,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72900 7290 39.779 -39520 4359.9 -43880 -43880 -0.091491 0.15385 0.042621 35416 2023-02-16 02:18:21,611 INFO [main.py:643]
{rank 0/100} MD step = 73000 step time: 00:00:00.020451 Performance: 316.666 ns/day 0.076 hours/ns 36.651 steps/s 2023-02-16 02:18:22,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73000 7300 39.735 -39501 4355 -43856 -43856 -0.090843 0.15442 0.04305 35477 2023-02-16 02:18:24,280 INFO [main.py:643]
{rank 0/100} MD step = 73100 step time: 00:00:00.020550 Performance: 316.675 ns/day 0.076 hours/ns 36.652 steps/s 2023-02-16 02:18:24,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73100 7310 39.791 -39519 4361.1 -43880 -43880 -0.090672 0.15467 0.041983 35529 2023-02-16 02:18:27,001 INFO [main.py:643]
{rank 0/100} MD step = 73200 step time: 00:00:00.020455 Performance: 316.676 ns/day 0.076 hours/ns 36.652 steps/s 2023-02-16 02:18:27,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73200 7320 39.531 -39478 4332.7 -43811 -43811 -0.091167 0.15488 0.042917 35581 2023-02-16 02:18:29,807 INFO [main.py:643]
{rank 0/100} MD step = 73300 step time: 00:00:00.020531 Performance: 316.664 ns/day 0.076 hours/ns 36.651 steps/s 2023-02-16 02:18:30,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73300 7330 40.074 -39434 4392.2 -43826 -43826 -0.091015 0.15499 0.042674 35631 2023-02-16 02:18:32,476 INFO [main.py:643]
{rank 0/100} MD step = 73400 step time: 00:00:00.020432 Performance: 316.673 ns/day 0.076 hours/ns 36.652 steps/s 2023-02-16 02:18:33,124 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73400 7340 40.194 -39496 4405.3 -43901 -43901 -0.092043 0.15472 0.043098 35674 2023-02-16 02:18:35,178 INFO [main.py:643]
{rank 0/100} MD step = 73500 step time: 00:00:00.020618 Performance: 316.678 ns/day 0.076 hours/ns 36.653 steps/s 2023-02-16 02:18:35,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73500 7350 40.16 -39369 4401.6 -43770 -43770 -0.091529 0.15441 0.043202 35720 2023-02-16 02:18:37,881 INFO [main.py:643]
{rank 0/100} MD step = 73600 step time: 00:00:00.020464 Performance: 316.682 ns/day 0.076 hours/ns 36.653 steps/s 2023-02-16 02:18:38,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73600 7360 40.269 -39341 4413.6 -43754 -43754 -0.091586 0.15403 0.043155 35763 2023-02-16 02:18:40,642 INFO [main.py:643]
{rank 0/100} MD step = 73700 step time: 00:00:00.020329 Performance: 316.677 ns/day 0.076 hours/ns 36.652 steps/s 2023-02-16 02:18:41,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73700 7370 39.871 -39473 4369.9 -43843 -43843 -0.090748 0.15456 0.043145 35821 2023-02-16 02:18:43,338 INFO [main.py:643]
{rank 0/100} MD step = 73800 step time: 00:00:00.020440 Performance: 316.682 ns/day 0.076 hours/ns 36.653 steps/s 2023-02-16 02:18:43,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73800 7380 39.858 -39463 4368.4 -43832 -43832 -0.090615 0.15608 0.043031 35868 2023-02-16 02:18:46,069 INFO [main.py:643]
{rank 0/100} MD step = 73900 step time: 00:00:00.020514 Performance: 316.681 ns/day 0.076 hours/ns 36.653 steps/s 2023-02-16 02:18:46,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73900 7390 39.785 -39519 4360.5 -43879 -43879 -0.092043 0.15707 0.042307 35911 2023-02-16 02:18:48,726 INFO [main.py:643]
{rank 0/100} MD step = 74000 step time: 00:00:00.020439 Performance: 316.692 ns/day 0.076 hours/ns 36.654 steps/s 2023-02-16 02:18:49,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74000 7400 40.437 -39388 4432 -43820 -43820 -0.093067 0.15696 0.040588 35967 2023-02-16 02:18:51,383 INFO [main.py:643]
{rank 0/100} MD step = 74100 step time: 00:00:00.020311 Performance: 316.703 ns/day 0.076 hours/ns 36.655 steps/s 2023-02-16 02:18:51,903 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74100 7410 40.383 -39441 4426.1 -43867 -43867 -0.093253 0.15667 0.040862 35989 2023-02-16 02:18:54,082 INFO [main.py:643]
{rank 0/100} MD step = 74200 step time: 00:00:00.020442 Performance: 316.708 ns/day 0.076 hours/ns 36.656 steps/s 2023-02-16 02:18:54,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74200 7420 40.027 -39489 4387 -43876 -43876 -0.094482 0.15631 0.040669 36042 2023-02-16 02:18:56,741 INFO [main.py:643]
{rank 0/100} MD step = 74300 step time: 00:00:00.020590 Performance: 316.719 ns/day 0.076 hours/ns 36.657 steps/s 2023-02-16 02:18:57,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74300 7430 40.173 -39467 4403 -43870 -43870 -0.095024 0.15733 0.039355 36075 2023-02-16 02:18:59,429 INFO [main.py:643]
{rank 0/100} MD step = 74400 step time: 00:00:00.020210 Performance: 316.725 ns/day 0.076 hours/ns 36.658 steps/s 2023-02-16 02:19:00,118 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74400 7440 40.208 -39403 4406.8 -43810 -43810 -0.095415 0.15688 0.03884 36140 2023-02-16 02:19:02,141 INFO [main.py:643]
{rank 0/100} MD step = 74500 step time: 00:00:00.020424 Performance: 316.728 ns/day 0.076 hours/ns 36.658 steps/s 2023-02-16 02:19:02,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74500 7450 40.446 -39322 4433 -43755 -43755 -0.09511 0.15731 0.039545 36193 2023-02-16 02:19:04,815 INFO [main.py:643]
{rank 0/100} MD step = 74600 step time: 00:00:00.020469 Performance: 316.736 ns/day 0.076 hours/ns 36.659 steps/s 2023-02-16 02:19:05,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74600 7460 40.521 -39429 4441.1 -43870 -43870 -0.09411 0.15746 0.04004 36239 2023-02-16 02:19:07,564 INFO [main.py:643]
{rank 0/100} MD step = 74700 step time: 00:00:00.020384 Performance: 316.733 ns/day 0.076 hours/ns 36.659 steps/s 2023-02-16 02:19:08,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74700 7470 40.358 -39310 4423.3 -43734 -43734 -0.092681 0.15836 0.039221 36298 2023-02-16 02:19:10,207 INFO [main.py:643]
{rank 0/100} MD step = 74800 step time: 00:00:00.020408 Performance: 316.746 ns/day 0.076 hours/ns 36.660 steps/s 2023-02-16 02:19:10,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74800 7480 40.172 -39518 4402.9 -43920 -43920 -0.094282 0.15755 0.039183 36334 2023-02-16 02:19:12,939 INFO [main.py:643]
{rank 0/100} MD step = 74900 step time: 00:00:00.020273 Performance: 316.745 ns/day 0.076 hours/ns 36.660 steps/s 2023-02-16 02:19:13,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74900 7490 40.206 -39511 4406.7 -43918 -43918 -0.09551 0.1565 0.038859 36388 2023-02-16 02:19:15,612 INFO [main.py:643]
{rank 0/100} MD step = 75000 step time: 00:00:00.020439 Performance: 316.754 ns/day 0.076 hours/ns 36.661 steps/s 2023-02-16 02:19:16,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75000 7500 39.673 -39460 4348.3 -43808 -43808 -0.096405 0.15591 0.039659 36438 2023-02-16 02:19:18,300 INFO [main.py:643]
{rank 0/100} MD step = 75100 step time: 00:00:00.021795 Performance: 316.760 ns/day 0.076 hours/ns 36.662 steps/s 2023-02-16 02:19:18,882 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75100 7510 40.094 -39540 4394.4 -43934 -43934 -0.094596 0.15624 0.03905 36483 2023-02-16 02:19:20,936 INFO [main.py:643]
{rank 0/100} MD step = 75200 step time: 00:00:00.020487 Performance: 316.774 ns/day 0.076 hours/ns 36.664 steps/s 2023-02-16 02:19:21,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75200 7520 39.421 -39524 4320.6 -43845 -43845 -0.095282 0.15628 0.040383 36528 2023-02-16 02:19:23,655 INFO [main.py:643]
{rank 0/100} MD step = 75300 step time: 00:00:00.020768 Performance: 316.775 ns/day 0.076 hours/ns 36.664 steps/s 2023-02-16 02:19:24,281 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75300 7530 39.757 -39564 4357.4 -43921 -43921 -0.095205 0.15647 0.03984 36556 2023-02-16 02:19:26,317 INFO [main.py:643]
{rank 0/100} MD step = 75400 step time: 00:00:00.020304 Performance: 316.785 ns/day 0.076 hours/ns 36.665 steps/s 2023-02-16 02:19:26,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75400 7540 40.154 -39488 4401 -43889 -43889 -0.093662 0.15649 0.040178 36623 2023-02-16 02:19:29,021 INFO [main.py:643]
{rank 0/100} MD step = 75500 step time: 00:00:00.020352 Performance: 316.789 ns/day 0.076 hours/ns 36.665 steps/s 2023-02-16 02:19:29,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75500 7550 40.51 -39428 4440 -43868 -43868 -0.0923 0.15583 0.039426 36679 2023-02-16 02:19:31,689 INFO [main.py:643]
{rank 0/100} MD step = 75600 step time: 00:00:00.020288 Performance: 316.798 ns/day 0.076 hours/ns 36.666 steps/s 2023-02-16 02:19:32,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75600 7560 39.96 -39499 4379.6 -43879 -43879 -0.091815 0.15631 0.039839 36713 2023-02-16 02:19:34,431 INFO [main.py:643]
{rank 0/100} MD step = 75700 step time: 00:00:00.020425 Performance: 316.796 ns/day 0.076 hours/ns 36.666 steps/s 2023-02-16 02:19:34,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75700 7570 40.047 -39413 4389.2 -43802 -43802 -0.091548 0.15662 0.040736 36769 2023-02-16 02:19:37,109 INFO [main.py:643]
{rank 0/100} MD step = 75800 step time: 00:00:00.020492 Performance: 316.803 ns/day 0.076 hours/ns 36.667 steps/s 2023-02-16 02:19:37,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75800 7580 39.739 -39521 4355.5 -43876 -43876 -0.091675 0.15671 0.040231 36830 2023-02-16 02:19:39,759 INFO [main.py:643]
{rank 0/100} MD step = 75900 step time: 00:00:00.020685 Performance: 316.815 ns/day 0.076 hours/ns 36.668 steps/s 2023-02-16 02:19:40,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75900 7590 40.201 -39490 4406.1 -43896 -43896 -0.091615 0.15681 0.040193 36866 2023-02-16 02:19:42,427 INFO [main.py:643]
{rank 0/100} MD step = 76000 step time: 00:00:00.020346 Performance: 316.824 ns/day 0.076 hours/ns 36.669 steps/s 2023-02-16 02:19:42,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76000 7600 40.643 -39392 4454.5 -43847 -43847 -0.092634 0.15804 0.039855 36915 2023-02-16 02:19:45,329 INFO [main.py:643]
{rank 0/100} MD step = 76100 step time: 00:00:00.020406 Performance: 316.797 ns/day 0.076 hours/ns 36.666 steps/s 2023-02-16 02:19:45,953 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76100 7610 40.191 -39484 4405 -43889 -43889 -0.092024 0.15772 0.039717 36973 2023-02-16 02:19:47,976 INFO [main.py:643]
{rank 0/100} MD step = 76200 step time: 00:00:00.020371 Performance: 316.810 ns/day 0.076 hours/ns 36.668 steps/s 2023-02-16 02:19:48,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76200 7620 39.607 -39499 4341 -43840 -43840 -0.092519 0.15893 0.039978 37040 2023-02-16 02:19:50,625 INFO [main.py:643]
{rank 0/100} MD step = 76300 step time: 00:00:00.020287 Performance: 316.822 ns/day 0.076 hours/ns 36.669 steps/s 2023-02-16 02:19:51,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76300 7630 39.542 -39533 4333.9 -43867 -43867 -0.093739 0.15909 0.04004 37064 2023-02-16 02:19:53,301 INFO [main.py:643]
{rank 0/100} MD step = 76400 step time: 00:00:00.020564 Performance: 316.829 ns/day 0.076 hours/ns 36.670 steps/s 2023-02-16 02:19:53,866 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76400 7640 39.958 -39494 4379.5 -43874 -43874 -0.093343 0.16035 0.039617 37112 2023-02-16 02:19:56,002 INFO [main.py:643]
{rank 0/100} MD step = 76500 step time: 00:00:00.020532 Performance: 316.833 ns/day 0.076 hours/ns 36.671 steps/s 2023-02-16 02:19:56,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76500 7650 40.067 -39552 4391.4 -43943 -43943 -0.094596 0.16109 0.039297 37173 2023-02-16 02:19:58,700 INFO [main.py:643]
{rank 0/100} MD step = 76600 step time: 00:00:00.020448 Performance: 316.838 ns/day 0.076 hours/ns 36.671 steps/s 2023-02-16 02:19:59,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76600 7660 39.558 -39511 4335.6 -43846 -43846 -0.094501 0.16132 0.03985 37217 2023-02-16 02:20:01,350 INFO [main.py:643]
{rank 0/100} MD step = 76700 step time: 00:00:00.020443 Performance: 316.849 ns/day 0.076 hours/ns 36.672 steps/s 2023-02-16 02:20:01,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76700 7670 39.766 -39472 4358.4 -43830 -43830 -0.093596 0.16218 0.039336 37273 2023-02-16 02:20:04,046 INFO [main.py:643]
{rank 0/100} MD step = 76800 step time: 00:00:00.020563 Performance: 316.854 ns/day 0.076 hours/ns 36.673 steps/s 2023-02-16 02:20:04,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76800 7680 40.082 -39508 4393 -43901 -43901 -0.092234 0.16317 0.040136 37317 2023-02-16 02:20:06,710 INFO [main.py:643]
{rank 0/100} MD step = 76900 step time: 00:00:00.020446 Performance: 316.864 ns/day 0.076 hours/ns 36.674 steps/s 2023-02-16 02:20:07,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76900 7690 40.568 -39455 4446.4 -43901 -43901 -0.091815 0.16327 0.040193 37370 2023-02-16 02:20:09,389 INFO [main.py:643]
{rank 0/100} MD step = 77000 step time: 00:00:00.020419 Performance: 316.871 ns/day 0.076 hours/ns 36.675 steps/s 2023-02-16 02:20:10,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77000 7700 39.925 -39467 4375.8 -43843 -43843 -0.092291 0.16229 0.040212 37440 2023-02-16 02:20:12,098 INFO [main.py:643]
{rank 0/100} MD step = 77100 step time: 00:00:00.020519 Performance: 316.873 ns/day 0.076 hours/ns 36.675 steps/s 2023-02-16 02:20:12,555 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77100 7710 39.959 -39419 4379.6 -43798 -43798 -0.092034 0.16246 0.040459 37500 2023-02-16 02:20:14,784 INFO [main.py:643]
{rank 0/100} MD step = 77200 step time: 00:00:00.020369 Performance: 316.880 ns/day 0.076 hours/ns 36.676 steps/s 2023-02-16 02:20:15,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77200 7720 39.708 -39526 4352 -43878 -43878 -0.092119 0.16351 0.040355 37537 2023-02-16 02:20:17,474 INFO [main.py:643]
{rank 0/100} MD step = 77300 step time: 00:00:00.020448 Performance: 316.885 ns/day 0.076 hours/ns 36.677 steps/s 2023-02-16 02:20:18,147 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77300 7730 39.799 -39444 4362 -43806 -43806 -0.092205 0.16325 0.039478 37597 2023-02-16 02:20:20,187 INFO [main.py:643]
{rank 0/100} MD step = 77400 step time: 00:00:00.020378 Performance: 316.887 ns/day 0.076 hours/ns 36.677 steps/s 2023-02-16 02:20:20,858 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77400 7740 39.371 -39491 4315.1 -43806 -43806 -0.094139 0.16233 0.039507 37642 2023-02-16 02:20:22,887 INFO [main.py:643]
{rank 0/100} MD step = 77500 step time: 00:00:00.020441 Performance: 316.891 ns/day 0.076 hours/ns 36.677 steps/s 2023-02-16 02:20:23,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77500 7750 40.14 -39437 4399.4 -43836 -43836 -0.094177 0.1636 0.039364 37706 2023-02-16 02:20:25,565 INFO [main.py:643]
{rank 0/100} MD step = 77600 step time: 00:00:00.020355 Performance: 316.898 ns/day 0.076 hours/ns 36.678 steps/s 2023-02-16 02:20:26,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77600 7760 39.934 -39442 4376.8 -43819 -43819 -0.095415 0.16349 0.039721 37762 2023-02-16 02:20:28,305 INFO [main.py:643]
{rank 0/100} MD step = 77700 step time: 00:00:00.021778 Performance: 316.896 ns/day 0.076 hours/ns 36.678 steps/s 2023-02-16 02:20:28,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77700 7770 39.418 -39518 4320.2 -43839 -43839 -0.095882 0.16464 0.04004 37819 2023-02-16 02:20:30,976 INFO [main.py:643]
{rank 0/100} MD step = 77800 step time: 00:00:00.020304 Performance: 316.905 ns/day 0.076 hours/ns 36.679 steps/s 2023-02-16 02:20:31,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77800 7780 39.98 -39563 4381.9 -43944 -43944 -0.09471 0.16534 0.03959 37840 2023-02-16 02:20:33,673 INFO [main.py:643]
{rank 0/100} MD step = 77900 step time: 00:00:00.020497 Performance: 316.909 ns/day 0.076 hours/ns 36.679 steps/s 2023-02-16 02:20:34,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77900 7790 39.932 -39472 4376.6 -43848 -43848 -0.094215 0.16626 0.04025 37879 2023-02-16 02:20:36,339 INFO [main.py:643]
{rank 0/100} MD step = 78000 step time: 00:00:00.020442 Performance: 316.918 ns/day 0.076 hours/ns 36.680 steps/s 2023-02-16 02:20:36,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78000 7800 39.86 -39531 4368.7 -43899 -43899 -0.094462 0.16608 0.040469 37942 2023-02-16 02:20:39,040 INFO [main.py:643]
{rank 0/100} MD step = 78100 step time: 00:00:00.020552 Performance: 316.922 ns/day 0.076 hours/ns 36.681 steps/s 2023-02-16 02:20:39,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78100 7810 39.817 -39422 4364 -43786 -43786 -0.094462 0.16643 0.041183 37992 2023-02-16 02:20:41,731 INFO [main.py:643]
{rank 0/100} MD step = 78200 step time: 00:00:00.020434 Performance: 316.927 ns/day 0.076 hours/ns 36.681 steps/s 2023-02-16 02:20:42,318 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78200 7820 40.502 -39356 4439 -43795 -43795 -0.094758 0.16693 0.041883 38019 2023-02-16 02:20:44,414 INFO [main.py:643]
{rank 0/100} MD step = 78300 step time: 00:00:00.020485 Performance: 316.933 ns/day 0.076 hours/ns 36.682 steps/s 2023-02-16 02:20:46,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78300 7830 39.38 -39523 4316 -43839 -43839 -0.094291 0.16662 0.041421 38067 2023-02-16 02:20:48,363 INFO [main.py:643]
{rank 0/100} MD step = 78400 step time: 00:00:00.021657 Performance: 316.752 ns/day 0.076 hours/ns 36.661 steps/s 2023-02-16 02:20:48,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78400 7840 40.934 -39378 4486.4 -43865 -43865 -0.093948 0.16676 0.041993 38121 2023-02-16 02:20:51,019 INFO [main.py:643]
{rank 0/100} MD step = 78500 step time: 00:00:00.020349 Performance: 316.763 ns/day 0.076 hours/ns 36.662 steps/s 2023-02-16 02:20:51,605 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78500 7850 39.339 -39523 4311.6 -43834 -43834 -0.094486 0.16673 0.04215 38171 2023-02-16 02:20:53,684 INFO [main.py:643]
{rank 0/100} MD step = 78600 step time: 00:00:00.020347 Performance: 316.772 ns/day 0.076 hours/ns 36.663 steps/s 2023-02-16 02:20:54,155 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78600 7860 39.578 -39517 4337.8 -43854 -43854 -0.094482 0.16631 0.042393 38233 2023-02-16 02:20:56,322 INFO [main.py:643]
{rank 0/100} MD step = 78700 step time: 00:00:00.020378 Performance: 316.785 ns/day 0.076 hours/ns 36.665 steps/s 2023-02-16 02:20:56,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78700 7870 39.793 -39452 4361.4 -43813 -43813 -0.095624 0.16608 0.041331 38279 2023-02-16 02:20:59,004 INFO [main.py:643]
{rank 0/100} MD step = 78800 step time: 00:00:00.020325 Performance: 316.792 ns/day 0.076 hours/ns 36.666 steps/s 2023-02-16 02:21:00,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78800 7880 40.162 -39398 4401.8 -43800 -43800 -0.095891 0.16562 0.040481 38322 2023-02-16 02:21:02,252 INFO [main.py:643]
{rank 0/100} MD step = 78900 step time: 00:00:00.020333 Performance: 316.715 ns/day 0.076 hours/ns 36.657 steps/s 2023-02-16 02:21:02,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78900 7890 39.783 -39382 4360.3 -43742 -43742 -0.096491 0.16546 0.04004 38366 2023-02-16 02:21:04,933 INFO [main.py:643]
{rank 0/100} MD step = 79000 step time: 00:00:00.020414 Performance: 316.722 ns/day 0.076 hours/ns 36.658 steps/s 2023-02-16 02:21:08,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79000 7900 39.484 -39573 4327.5 -43901 -43901 -0.09631 0.16557 0.040774 38397 2023-02-16 02:21:10,272 INFO [main.py:643]
{rank 0/100} MD step = 79100 step time: 00:00:00.020381 Performance: 316.339 ns/day 0.076 hours/ns 36.613 steps/s 2023-02-16 02:21:10,773 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79100 7910 40.094 -39413 4394.4 -43807 -43807 -0.097601 0.16533 0.04104 38465 2023-02-16 02:21:13,264 INFO [main.py:643]
{rank 0/100} MD step = 79200 step time: 00:00:00.020470 Performance: 316.301 ns/day 0.076 hours/ns 36.609 steps/s 2023-02-16 02:21:13,945 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79200 7920 40.589 -39351 4448.6 -43800 -43800 -0.099282 0.16494 0.040507 38511 2023-02-16 02:21:15,972 INFO [main.py:643]
{rank 0/100} MD step = 79300 step time: 00:00:00.020460 Performance: 316.305 ns/day 0.076 hours/ns 36.609 steps/s 2023-02-16 02:21:17,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79300 7930 39.867 -39483 4369.5 -43853 -43853 -0.098834 0.16505 0.041183 38549 2023-02-16 02:21:19,602 INFO [main.py:643]
{rank 0/100} MD step = 79400 step time: 00:00:00.020441 Performance: 316.174 ns/day 0.076 hours/ns 36.594 steps/s 2023-02-16 02:21:20,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79400 7940 40.078 -39389 4392.6 -43782 -43782 -0.098425 0.16465 0.041831 38612 2023-02-16 02:21:22,310 INFO [main.py:643]
{rank 0/100} MD step = 79500 step time: 00:00:00.020452 Performance: 316.177 ns/day 0.076 hours/ns 36.595 steps/s 2023-02-16 02:21:22,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79500 7950 39.443 -39489 4323 -43812 -43812 -0.097148 0.1655 0.042145 38666 2023-02-16 02:21:25,064 INFO [main.py:643]
{rank 0/100} MD step = 79600 step time: 00:00:00.020614 Performance: 316.174 ns/day 0.076 hours/ns 36.594 steps/s 2023-02-16 02:21:27,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79600 7960 39.789 -39488 4360.9 -43849 -43849 -0.098101 0.16574 0.041621 38686 2023-02-16 02:21:29,565 INFO [main.py:643]
{rank 0/100} MD step = 79700 step time: 00:00:00.020527 Performance: 315.918 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:21:30,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79700 7970 40.149 -39310 4400.4 -43711 -43711 -0.098996 0.16708 0.04065 38757 2023-02-16 02:21:32,228 INFO [main.py:643]
{rank 0/100} MD step = 79800 step time: 00:00:00.020488 Performance: 315.928 ns/day 0.076 hours/ns 36.566 steps/s 2023-02-16 02:21:32,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79800 7980 40.171 -39493 4402.8 -43896 -43896 -0.097834 0.16656 0.040345 38800 2023-02-16 02:21:34,955 INFO [main.py:643]
{rank 0/100} MD step = 79900 step time: 00:00:00.020594 Performance: 315.929 ns/day 0.076 hours/ns 36.566 steps/s 2023-02-16 02:21:35,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79900 7990 39.543 -39485 4334 -43819 -43819 -0.098872 0.16692 0.040136 38835 2023-02-16 02:21:37,920 INFO [main.py:643]
{rank 0/100} MD step = 80000 step time: 00:00:00.020381 Performance: 315.896 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:21:38,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80000 8000 40.064 -39583 4391.1 -43974 -43974 -0.097196 0.16706 0.041098 38881 2023-02-16 02:21:40,683 INFO [main.py:643]
{rank 0/100} MD step = 80100 step time: 00:00:00.020437 Performance: 315.892 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:21:41,625 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80100 8010 39.593 -39484 4339.4 -43823 -43823 -0.095834 0.16612 0.041769 38930 2023-02-16 02:21:43,670 INFO [main.py:643]
{rank 0/100} MD step = 80200 step time: 00:00:00.021203 Performance: 315.856 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:21:44,253 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80200 8020 39.604 -39445 4340.7 -43786 -43786 -0.094577 0.16523 0.04226 38988 2023-02-16 02:21:46,311 INFO [main.py:643]
{rank 0/100} MD step = 80300 step time: 00:00:00.020561 Performance: 315.869 ns/day 0.076 hours/ns 36.559 steps/s 2023-02-16 02:21:46,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80300 8030 40.334 -39369 4420.6 -43789 -43789 -0.09372 0.16613 0.042193 39043 2023-02-16 02:21:48,994 INFO [main.py:643]
{rank 0/100} MD step = 80400 step time: 00:00:00.020466 Performance: 315.877 ns/day 0.076 hours/ns 36.560 steps/s 2023-02-16 02:21:49,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80400 8040 39.609 -39535 4341.2 -43876 -43876 -0.09451 0.16664 0.04246 39088 2023-02-16 02:21:51,633 INFO [main.py:643]
{rank 0/100} MD step = 80500 step time: 00:00:00.021355 Performance: 315.891 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:21:52,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80500 8050 40.029 -39459 4387.2 -43846 -43846 -0.094948 0.16689 0.04244 39122 2023-02-16 02:21:54,312 INFO [main.py:643]
{rank 0/100} MD step = 80600 step time: 00:00:00.020393 Performance: 315.899 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:21:54,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80600 8060 39.484 -39549 4327.5 -43877 -43877 -0.095977 0.1668 0.042507 39180 2023-02-16 02:21:56,977 INFO [main.py:643]
{rank 0/100} MD step = 80700 step time: 00:00:00.020398 Performance: 315.909 ns/day 0.076 hours/ns 36.564 steps/s 2023-02-16 02:21:57,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80700 8070 39.861 -39460 4368.8 -43828 -43828 -0.096665 0.166 0.042674 39227 2023-02-16 02:21:59,650 INFO [main.py:643]
{rank 0/100} MD step = 80800 step time: 00:00:00.020488 Performance: 315.918 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:22:00,309 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80800 8080 39.567 -39496 4336.6 -43832 -43832 -0.097872 0.16643 0.042336 39285 2023-02-16 02:22:02,357 INFO [main.py:643]
{rank 0/100} MD step = 80900 step time: 00:00:00.020263 Performance: 315.922 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:22:02,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80900 8090 40.031 -39492 4387.4 -43879 -43879 -0.097158 0.16608 0.042555 39325 2023-02-16 02:22:05,016 INFO [main.py:643]
{rank 0/100} MD step = 81000 step time: 00:00:00.020432 Performance: 315.932 ns/day 0.076 hours/ns 36.566 steps/s 2023-02-16 02:22:05,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81000 8100 39.89 -39450 4372 -43822 -43822 -0.096863 0.16702 0.041755 39367 2023-02-16 02:22:07,661 INFO [main.py:643]
{rank 0/100} MD step = 81100 step time: 00:00:00.020374 Performance: 315.945 ns/day 0.076 hours/ns 36.568 steps/s 2023-02-16 02:22:08,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81100 8110 40.099 -39461 4394.9 -43856 -43856 -0.097453 0.16698 0.04185 39414 2023-02-16 02:22:10,403 INFO [main.py:643]
{rank 0/100} MD step = 81200 step time: 00:00:00.020417 Performance: 315.944 ns/day 0.076 hours/ns 36.568 steps/s 2023-02-16 02:22:11,130 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81200 8120 39.954 -39459 4379 -43838 -43838 -0.09542 0.16806 0.042212 39466 2023-02-16 02:22:13,169 INFO [main.py:643]
{rank 0/100} MD step = 81300 step time: 00:00:00.020446 Performance: 315.940 ns/day 0.076 hours/ns 36.567 steps/s 2023-02-16 02:22:13,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81300 8130 39.848 -39530 4367.4 -43897 -43897 -0.094272 0.16757 0.042393 39490 2023-02-16 02:22:15,822 INFO [main.py:643]
{rank 0/100} MD step = 81400 step time: 00:00:00.020440 Performance: 315.951 ns/day 0.076 hours/ns 36.568 steps/s 2023-02-16 02:22:16,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81400 8140 39.979 -39484 4381.8 -43866 -43866 -0.095263 0.1674 0.042136 39552 2023-02-16 02:22:18,479 INFO [main.py:643]
{rank 0/100} MD step = 81500 step time: 00:00:00.020381 Performance: 315.962 ns/day 0.076 hours/ns 36.570 steps/s 2023-02-16 02:22:18,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81500 8150 39.803 -39409 4362.4 -43771 -43771 -0.096424 0.16706 0.041269 39617 2023-02-16 02:22:21,149 INFO [main.py:643]
{rank 0/100} MD step = 81600 step time: 00:00:00.020476 Performance: 315.971 ns/day 0.076 hours/ns 36.571 steps/s 2023-02-16 02:22:21,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81600 8160 39.871 -39437 4369.9 -43807 -43807 -0.095663 0.16816 0.041179 39669 2023-02-16 02:22:23,840 INFO [main.py:643]
{rank 0/100} MD step = 81700 step time: 00:00:00.020508 Performance: 315.977 ns/day 0.076 hours/ns 36.571 steps/s 2023-02-16 02:22:24,365 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81700 8170 40.354 -39452 4422.9 -43875 -43875 -0.095796 0.16797 0.041374 39707 2023-02-16 02:22:26,498 INFO [main.py:643]
{rank 0/100} MD step = 81800 step time: 00:00:00.020529 Performance: 315.988 ns/day 0.076 hours/ns 36.573 steps/s 2023-02-16 02:22:27,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81800 8180 39.732 -39505 4354.6 -43860 -43860 -0.098348 0.16822 0.041374 39750 2023-02-16 02:22:29,168 INFO [main.py:643]
{rank 0/100} MD step = 81900 step time: 00:00:00.020516 Performance: 315.997 ns/day 0.076 hours/ns 36.574 steps/s 2023-02-16 02:22:29,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81900 8190 39.958 -39436 4379.5 -43816 -43816 -0.099201 0.1685 0.040669 39813 2023-02-16 02:22:31,807 INFO [main.py:643]
{rank 0/100} MD step = 82000 step time: 00:00:00.020416 Performance: 316.011 ns/day 0.076 hours/ns 36.575 steps/s 2023-02-16 02:22:32,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82000 8200 40.432 -39413 4431.4 -43844 -43844 -0.098006 0.1686 0.04055 39856 2023-02-16 02:22:34,634 INFO [main.py:643]
{rank 0/100} MD step = 82100 step time: 00:00:00.020381 Performance: 315.998 ns/day 0.076 hours/ns 36.574 steps/s 2023-02-16 02:22:35,253 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82100 8210 39.747 -39438 4356.3 -43794 -43794 -0.097729 0.16822 0.040764 39899 2023-02-16 02:22:37,280 INFO [main.py:643]
{rank 0/100} MD step = 82200 step time: 00:00:00.020478 Performance: 316.010 ns/day 0.076 hours/ns 36.575 steps/s 2023-02-16 02:22:37,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82200 8220 39.504 -39568 4329.7 -43898 -43898 -0.097739 0.1682 0.041317 39937 2023-02-16 02:22:39,975 INFO [main.py:643]
{rank 0/100} MD step = 82300 step time: 00:00:00.020572 Performance: 316.016 ns/day 0.076 hours/ns 36.576 steps/s 2023-02-16 02:22:40,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82300 8230 40.069 -39362 4391.6 -43754 -43754 -0.097263 0.16934 0.040993 39996 2023-02-16 02:22:42,659 INFO [main.py:643]
{rank 0/100} MD step = 82400 step time: 00:00:00.020430 Performance: 316.023 ns/day 0.076 hours/ns 36.577 steps/s 2023-02-16 02:22:43,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82400 8240 39.545 -39538 4334.2 -43873 -43873 -0.097891 0.16938 0.040821 40057 2023-02-16 02:22:45,584 INFO [main.py:643]
{rank 0/100} MD step = 82500 step time: 00:00:00.020436 Performance: 315.996 ns/day 0.076 hours/ns 36.574 steps/s 2023-02-16 02:22:46,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82500 8250 39.503 -39477 4329.5 -43806 -43806 -0.097458 0.17002 0.040402 40110 2023-02-16 02:22:48,270 INFO [main.py:643]
{rank 0/100} MD step = 82600 step time: 00:00:00.021953 Performance: 316.003 ns/day 0.076 hours/ns 36.574 steps/s 2023-02-16 02:22:48,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82600 8260 39.945 -39397 4378 -43775 -43775 -0.095705 0.17047 0.040421 40166 2023-02-16 02:22:50,949 INFO [main.py:643]
{rank 0/100} MD step = 82700 step time: 00:00:00.020352 Performance: 316.010 ns/day 0.076 hours/ns 36.575 steps/s 2023-02-16 02:22:51,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82700 8270 40.655 -39424 4455.8 -43879 -43879 -0.093629 0.17052 0.040898 40213 2023-02-16 02:22:53,625 INFO [main.py:643]
{rank 0/100} MD step = 82800 step time: 00:00:00.020354 Performance: 316.018 ns/day 0.076 hours/ns 36.576 steps/s 2023-02-16 02:22:54,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82800 8280 40.318 -39396 4418.8 -43815 -43815 -0.095072 0.17116 0.041088 40275 2023-02-16 02:22:56,409 INFO [main.py:643]
{rank 0/100} MD step = 82900 step time: 00:00:00.020467 Performance: 316.011 ns/day 0.076 hours/ns 36.575 steps/s 2023-02-16 02:22:57,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82900 8290 39.666 -39535 4347.4 -43882 -43882 -0.095148 0.17132 0.041174 40311 2023-02-16 02:22:59,184 INFO [main.py:643]
{rank 0/100} MD step = 83000 step time: 00:00:00.021062 Performance: 316.006 ns/day 0.076 hours/ns 36.575 steps/s 2023-02-16 02:22:59,986 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83000 8300 39.674 -39536 4348.3 -43885 -43885 -0.09531 0.17213 0.041393 40372 2023-02-16 02:23:02,020 INFO [main.py:643]
{rank 0/100} MD step = 83100 step time: 00:00:00.020349 Performance: 315.992 ns/day 0.076 hours/ns 36.573 steps/s 2023-02-16 02:23:02,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83100 8310 40.14 -39477 4399.4 -43876 -43876 -0.096101 0.1735 0.041883 40402 2023-02-16 02:23:04,871 INFO [main.py:643]
{rank 0/100} MD step = 83200 step time: 00:00:00.020438 Performance: 315.975 ns/day 0.076 hours/ns 36.571 steps/s 2023-02-16 02:23:05,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83200 8320 40.646 -39416 4454.9 -43871 -43871 -0.096234 0.17358 0.04266 40443 2023-02-16 02:23:07,499 INFO [main.py:643]
{rank 0/100} MD step = 83300 step time: 00:00:00.020371 Performance: 315.990 ns/day 0.076 hours/ns 36.573 steps/s 2023-02-16 02:23:08,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83300 8330 39.78 -39395 4360 -43755 -43755 -0.096234 0.17384 0.042974 40484 2023-02-16 02:23:10,155 INFO [main.py:643]
{rank 0/100} MD step = 83400 step time: 00:00:00.020280 Performance: 316.001 ns/day 0.076 hours/ns 36.574 steps/s 2023-02-16 02:23:10,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83400 8340 39.915 -39413 4374.7 -43787 -43787 -0.095348 0.17329 0.043564 40527 2023-02-16 02:23:12,850 INFO [main.py:643]
{rank 0/100} MD step = 83500 step time: 00:00:00.020356 Performance: 316.006 ns/day 0.076 hours/ns 36.575 steps/s 2023-02-16 02:23:13,394 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83500 8350 39.368 -39469 4314.7 -43783 -43783 -0.096044 0.17344 0.043241 40573 2023-02-16 02:23:15,429 INFO [main.py:643]
{rank 0/100} MD step = 83600 step time: 00:00:00.020439 Performance: 316.028 ns/day 0.076 hours/ns 36.577 steps/s 2023-02-16 02:23:16,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83600 8360 39.617 -39555 4342.1 -43897 -43897 -0.096224 0.17264 0.043917 40612 2023-02-16 02:23:18,118 INFO [main.py:643]
{rank 0/100} MD step = 83700 step time: 00:00:00.020255 Performance: 316.034 ns/day 0.076 hours/ns 36.578 steps/s 2023-02-16 02:23:18,474 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83700 8370 39.991 -39450 4383 -43833 -43833 -0.097377 0.173 0.044107 40665 2023-02-16 02:23:20,738 INFO [main.py:643]
{rank 0/100} MD step = 83800 step time: 00:00:00.020648 Performance: 316.050 ns/day 0.076 hours/ns 36.580 steps/s 2023-02-16 02:23:21,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83800 8380 39.884 -39523 4371.3 -43894 -43894 -0.095858 0.17226 0.044364 40700 2023-02-16 02:23:23,451 INFO [main.py:643]
{rank 0/100} MD step = 83900 step time: 00:00:00.020442 Performance: 316.053 ns/day 0.076 hours/ns 36.580 steps/s 2023-02-16 02:23:23,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83900 8390 40.106 -39410 4395.7 -43806 -43806 -0.094224 0.17266 0.044936 40749 2023-02-16 02:23:26,087 INFO [main.py:643]
{rank 0/100} MD step = 84000 step time: 00:00:00.020485 Performance: 316.066 ns/day 0.076 hours/ns 36.582 steps/s 2023-02-16 02:23:26,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84000 8400 40.039 -39488 4388.3 -43877 -43877 -0.095072 0.17235 0.044688 40790 2023-02-16 02:23:29,008 INFO [main.py:643]
{rank 0/100} MD step = 84100 step time: 00:00:00.020450 Performance: 316.040 ns/day 0.076 hours/ns 36.579 steps/s 2023-02-16 02:23:29,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84100 8410 39.917 -39432 4375 -43807 -43807 -0.095443 0.17275 0.044279 40857 2023-02-16 02:23:31,791 INFO [main.py:643]
{rank 0/100} MD step = 84200 step time: 00:00:00.020436 Performance: 316.034 ns/day 0.076 hours/ns 36.578 steps/s 2023-02-16 02:23:32,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84200 8420 39.683 -39351 4349.3 -43700 -43700 -0.095634 0.17374 0.04485 40904 2023-02-16 02:23:34,492 INFO [main.py:643]
{rank 0/100} MD step = 84300 step time: 00:00:00.022940 Performance: 316.038 ns/day 0.076 hours/ns 36.578 steps/s 2023-02-16 02:23:35,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84300 8430 40.494 -39430 4438.2 -43868 -43868 -0.09532 0.17363 0.044531 40957 2023-02-16 02:23:37,128 INFO [main.py:643]
{rank 0/100} MD step = 84400 step time: 00:00:00.020420 Performance: 316.052 ns/day 0.076 hours/ns 36.580 steps/s 2023-02-16 02:23:37,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84400 8440 39.508 -39366 4330.2 -43696 -43696 -0.097515 0.17318 0.044717 41013 2023-02-16 02:23:39,826 INFO [main.py:643]
{rank 0/100} MD step = 84500 step time: 00:00:00.020303 Performance: 316.056 ns/day 0.076 hours/ns 36.581 steps/s 2023-02-16 02:23:40,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84500 8450 39.541 -39472 4333.7 -43806 -43806 -0.096463 0.17351 0.045964 41050 2023-02-16 02:23:42,471 INFO [main.py:643]
{rank 0/100} MD step = 84600 step time: 00:00:00.020562 Performance: 316.068 ns/day 0.076 hours/ns 36.582 steps/s 2023-02-16 02:23:43,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84600 8460 40.698 -39420 4460.6 -43881 -43881 -0.096158 0.17363 0.04625 41103 2023-02-16 02:23:45,200 INFO [main.py:643]
{rank 0/100} MD step = 84700 step time: 00:00:00.020268 Performance: 316.069 ns/day 0.076 hours/ns 36.582 steps/s 2023-02-16 02:23:45,811 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84700 8470 40.095 -39421 4394.4 -43815 -43815 -0.095215 0.17346 0.046403 41155 2023-02-16 02:23:47,878 INFO [main.py:643]
{rank 0/100} MD step = 84800 step time: 00:00:00.020483 Performance: 316.077 ns/day 0.076 hours/ns 36.583 steps/s 2023-02-16 02:23:48,423 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84800 8480 39.92 -39529 4375.3 -43905 -43905 -0.094682 0.17447 0.046155 41212 2023-02-16 02:23:50,561 INFO [main.py:643]
{rank 0/100} MD step = 84900 step time: 00:00:00.020408 Performance: 316.084 ns/day 0.076 hours/ns 36.584 steps/s 2023-02-16 02:23:51,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84900 8490 40.221 -39415 4408.2 -43823 -43823 -0.094739 0.17421 0.046174 41258 2023-02-16 02:23:53,206 INFO [main.py:643]
{rank 0/100} MD step = 85000 step time: 00:00:00.020313 Performance: 316.096 ns/day 0.076 hours/ns 36.585 steps/s 2023-02-16 02:23:53,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85000 8500 39.751 -39494 4356.8 -43851 -43851 -0.093558 0.17456 0.046803 41310 2023-02-16 02:23:55,896 INFO [main.py:643]
{rank 0/100} MD step = 85100 step time: 00:00:00.020308 Performance: 316.102 ns/day 0.076 hours/ns 36.586 steps/s 2023-02-16 02:23:56,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85100 8510 40.59 -39365 4448.7 -43813 -43813 -0.092658 0.17618 0.046479 41364 2023-02-16 02:23:58,589 INFO [main.py:643]
{rank 0/100} MD step = 85200 step time: 00:00:00.020496 Performance: 316.107 ns/day 0.076 hours/ns 36.586 steps/s 2023-02-16 02:23:59,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85200 8520 39.974 -39457 4381.2 -43838 -43838 -0.092729 0.17609 0.046517 41430 2023-02-16 02:24:01,235 INFO [main.py:643]
{rank 0/100} MD step = 85300 step time: 00:00:00.020420 Performance: 316.119 ns/day 0.076 hours/ns 36.588 steps/s 2023-02-16 02:24:01,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85300 8530 40.034 -39486 4387.8 -43874 -43874 -0.092672 0.17616 0.047155 41466 2023-02-16 02:24:03,916 INFO [main.py:643]
{rank 0/100} MD step = 85400 step time: 00:00:00.020406 Performance: 316.126 ns/day 0.076 hours/ns 36.589 steps/s 2023-02-16 02:24:04,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85400 8540 39.612 -39490 4341.5 -43831 -43831 -0.092548 0.17617 0.046974 41523 2023-02-16 02:24:06,585 INFO [main.py:643]
{rank 0/100} MD step = 85500 step time: 00:00:00.020379 Performance: 316.135 ns/day 0.076 hours/ns 36.590 steps/s 2023-02-16 02:24:07,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85500 8550 39.5 -39562 4329.2 -43891 -43891 -0.093801 0.17617 0.04795 41561 2023-02-16 02:24:09,326 INFO [main.py:643]
{rank 0/100} MD step = 85600 step time: 00:00:00.020389 Performance: 316.133 ns/day 0.076 hours/ns 36.590 steps/s 2023-02-16 02:24:10,005 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85600 8560 40.757 -39343 4467 -43810 -43810 -0.093586 0.17677 0.04816 41623 2023-02-16 02:24:12,029 INFO [main.py:643]
{rank 0/100} MD step = 85700 step time: 00:00:00.020325 Performance: 316.138 ns/day 0.076 hours/ns 36.590 steps/s 2023-02-16 02:24:12,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85700 8570 40.056 -39459 4390.2 -43849 -43849 -0.092786 0.17725 0.048288 41664 2023-02-16 02:24:14,729 INFO [main.py:643]
{rank 0/100} MD step = 85800 step time: 00:00:00.020450 Performance: 316.142 ns/day 0.076 hours/ns 36.591 steps/s 2023-02-16 02:24:15,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85800 8580 39.757 -39499 4357.4 -43857 -43857 -0.091767 0.17757 0.048879 41694 2023-02-16 02:24:17,486 INFO [main.py:643]
{rank 0/100} MD step = 85900 step time: 00:00:00.020480 Performance: 316.139 ns/day 0.076 hours/ns 36.590 steps/s 2023-02-16 02:24:18,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85900 8590 39.841 -39352 4366.6 -43719 -43719 -0.092158 0.17771 0.048431 41760 2023-02-16 02:24:20,237 INFO [main.py:643]
{rank 0/100} MD step = 86000 step time: 00:00:00.020453 Performance: 316.136 ns/day 0.076 hours/ns 36.590 steps/s 2023-02-16 02:24:20,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86000 8600 39.98 -39457 4381.9 -43839 -43839 -0.091262 0.17666 0.048893 41810 2023-02-16 02:24:22,948 INFO [main.py:643]
{rank 0/100} MD step = 86100 step time: 00:00:00.020382 Performance: 316.139 ns/day 0.076 hours/ns 36.590 steps/s 2023-02-16 02:24:23,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86100 8610 39.641 -39446 4344.7 -43791 -43791 -0.091665 0.1758 0.048888 41864 2023-02-16 02:24:25,591 INFO [main.py:643]
{rank 0/100} MD step = 86200 step time: 00:00:00.020639 Performance: 316.151 ns/day 0.076 hours/ns 36.592 steps/s 2023-02-16 02:24:26,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86200 8620 39.561 -39502 4336 -43838 -43838 -0.092062 0.17522 0.049479 41913 2023-02-16 02:24:28,248 INFO [main.py:643]
{rank 0/100} MD step = 86300 step time: 00:00:00.021943 Performance: 316.161 ns/day 0.076 hours/ns 36.593 steps/s 2023-02-16 02:24:28,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86300 8630 39.822 -39462 4364.5 -43826 -43826 -0.092005 0.17523 0.050269 41955 2023-02-16 02:24:30,904 INFO [main.py:643]
{rank 0/100} MD step = 86400 step time: 00:00:00.020396 Performance: 316.172 ns/day 0.076 hours/ns 36.594 steps/s 2023-02-16 02:24:31,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86400 8640 39.887 -39465 4371.7 -43837 -43837 -0.093377 0.17532 0.050522 41999 2023-02-16 02:24:33,586 INFO [main.py:643]
{rank 0/100} MD step = 86500 step time: 00:00:00.020618 Performance: 316.179 ns/day 0.076 hours/ns 36.595 steps/s 2023-02-16 02:24:34,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86500 8650 40.131 -39424 4398.5 -43822 -43822 -0.094191 0.17516 0.050793 42055 2023-02-16 02:24:36,217 INFO [main.py:643]
{rank 0/100} MD step = 86600 step time: 00:00:00.020386 Performance: 316.192 ns/day 0.076 hours/ns 36.596 steps/s 2023-02-16 02:24:36,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86600 8660 39.841 -39450 4366.7 -43816 -43816 -0.094805 0.1739 0.050355 42090 2023-02-16 02:24:38,913 INFO [main.py:643]
{rank 0/100} MD step = 86700 step time: 00:00:00.020387 Performance: 316.197 ns/day 0.076 hours/ns 36.597 steps/s 2023-02-16 02:24:39,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86700 8670 39.658 -39448 4346.6 -43795 -43795 -0.092786 0.17385 0.050708 42140 2023-02-16 02:24:41,576 INFO [main.py:643]
{rank 0/100} MD step = 86800 step time: 00:00:00.020334 Performance: 316.206 ns/day 0.076 hours/ns 36.598 steps/s 2023-02-16 02:24:42,225 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86800 8680 40.662 -39395 4456.6 -43851 -43851 -0.09332 0.1738 0.050155 42177 2023-02-16 02:24:44,252 INFO [main.py:643]
{rank 0/100} MD step = 86900 step time: 00:00:00.020297 Performance: 316.214 ns/day 0.076 hours/ns 36.599 steps/s 2023-02-16 02:24:44,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86900 8690 40.75 -39333 4466.3 -43799 -43799 -0.094596 0.17283 0.05045 42233 2023-02-16 02:24:46,945 INFO [main.py:643]
{rank 0/100} MD step = 87000 step time: 00:00:00.020334 Performance: 316.219 ns/day 0.076 hours/ns 36.599 steps/s 2023-02-16 02:24:47,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87000 8700 39.655 -39552 4346.2 -43898 -43898 -0.097291 0.17388 0.050612 42288 2023-02-16 02:24:49,654 INFO [main.py:643]
{rank 0/100} MD step = 87100 step time: 00:00:00.020499 Performance: 316.222 ns/day 0.076 hours/ns 36.600 steps/s 2023-02-16 02:24:50,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87100 8710 39.697 -39474 4350.8 -43824 -43824 -0.097663 0.17371 0.050784 42346 2023-02-16 02:24:52,325 INFO [main.py:643]
{rank 0/100} MD step = 87200 step time: 00:00:00.020261 Performance: 316.230 ns/day 0.076 hours/ns 36.601 steps/s 2023-02-16 02:24:52,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87200 8720 40.639 -39465 4454 -43919 -43919 -0.096805 0.1748 0.051508 42393 2023-02-16 02:24:55,013 INFO [main.py:643]
{rank 0/100} MD step = 87300 step time: 00:00:00.020564 Performance: 316.236 ns/day 0.076 hours/ns 36.601 steps/s 2023-02-16 02:24:55,649 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87300 8730 40.417 -39344 4429.8 -43774 -43774 -0.097234 0.17467 0.051889 42444 2023-02-16 02:24:57,689 INFO [main.py:643]
{rank 0/100} MD step = 87400 step time: 00:00:00.020681 Performance: 316.244 ns/day 0.076 hours/ns 36.602 steps/s 2023-02-16 02:24:58,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87400 8740 40.149 -39440 4400.3 -43840 -43840 -0.096434 0.17511 0.051451 42499 2023-02-16 02:25:00,425 INFO [main.py:643]
{rank 0/100} MD step = 87500 step time: 00:00:00.020580 Performance: 316.243 ns/day 0.076 hours/ns 36.602 steps/s 2023-02-16 02:25:00,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87500 8750 39.853 -39435 4367.9 -43803 -43803 -0.096939 0.17504 0.051622 42547 2023-02-16 02:25:03,078 INFO [main.py:643]
{rank 0/100} MD step = 87600 step time: 00:00:00.020550 Performance: 316.253 ns/day 0.076 hours/ns 36.603 steps/s 2023-02-16 02:25:03,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87600 8760 39.632 -39499 4343.7 -43843 -43843 -0.097148 0.17572 0.051651 42599 2023-02-16 02:25:05,850 INFO [main.py:643]
{rank 0/100} MD step = 87700 step time: 00:00:00.020503 Performance: 316.248 ns/day 0.076 hours/ns 36.603 steps/s 2023-02-16 02:25:06,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87700 8770 39.285 -39622 4305.7 -43928 -43928 -0.096386 0.17622 0.052132 42632 2023-02-16 02:25:08,528 INFO [main.py:643]
{rank 0/100} MD step = 87800 step time: 00:00:00.020425 Performance: 316.255 ns/day 0.076 hours/ns 36.604 steps/s 2023-02-16 02:25:09,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87800 8780 40.229 -39346 4409.1 -43755 -43755 -0.096958 0.17639 0.051879 42697 2023-02-16 02:25:11,220 INFO [main.py:643]
{rank 0/100} MD step = 87900 step time: 00:00:00.020381 Performance: 316.261 ns/day 0.076 hours/ns 36.604 steps/s 2023-02-16 02:25:11,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87900 8790 40.736 -39308 4464.8 -43773 -43773 -0.098091 0.17668 0.052117 42757 2023-02-16 02:25:14,618 INFO [main.py:643]
{rank 0/100} MD step = 88000 step time: 00:00:00.020882 Performance: 316.173 ns/day 0.076 hours/ns 36.594 steps/s 2023-02-16 02:25:15,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88000 8800 39.667 -39519 4347.6 -43867 -43867 -0.1002 0.17697 0.052232 42799 2023-02-16 02:25:17,395 INFO [main.py:643]
{rank 0/100} MD step = 88100 step time: 00:00:00.020577 Performance: 316.167 ns/day 0.076 hours/ns 36.593 steps/s 2023-02-16 02:25:17,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88100 8810 40.486 -39413 4437.3 -43851 -43851 -0.098767 0.17647 0.052784 42850 2023-02-16 02:25:20,045 INFO [main.py:643]
{rank 0/100} MD step = 88200 step time: 00:00:00.020419 Performance: 316.178 ns/day 0.076 hours/ns 36.595 steps/s 2023-02-16 02:25:20,625 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88200 8820 40.142 -39405 4399.6 -43805 -43805 -0.099153 0.17636 0.053255 42893 2023-02-16 02:25:22,804 INFO [main.py:643]
{rank 0/100} MD step = 88300 step time: 00:00:00.020662 Performance: 316.175 ns/day 0.076 hours/ns 36.594 steps/s 2023-02-16 02:25:23,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88300 8830 40.089 -39455 4393.8 -43849 -43849 -0.099663 0.17704 0.052841 42942 2023-02-16 02:25:25,656 INFO [main.py:643]
{rank 0/100} MD step = 88400 step time: 00:00:00.020529 Performance: 316.159 ns/day 0.076 hours/ns 36.592 steps/s 2023-02-16 02:25:26,287 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88400 8840 39.676 -39415 4348.5 -43763 -43763 -0.099948 0.17731 0.053136 42997 2023-02-16 02:25:28,353 INFO [main.py:643]
{rank 0/100} MD step = 88500 step time: 00:00:00.024661 Performance: 316.164 ns/day 0.076 hours/ns 36.593 steps/s 2023-02-16 02:25:28,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88500 8850 39.688 -39473 4349.9 -43823 -43823 -0.10054 0.17676 0.051765 43053 2023-02-16 02:25:30,991 INFO [main.py:643]
{rank 0/100} MD step = 88600 step time: 00:00:00.020423 Performance: 316.176 ns/day 0.076 hours/ns 36.594 steps/s 2023-02-16 02:25:31,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88600 8860 39.655 -39502 4346.3 -43848 -43848 -0.10033 0.1764 0.051908 43110 2023-02-16 02:25:33,739 INFO [main.py:643]
{rank 0/100} MD step = 88700 step time: 00:00:00.020284 Performance: 316.174 ns/day 0.076 hours/ns 36.594 steps/s 2023-02-16 02:25:34,332 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88700 8870 39.997 -39476 4383.7 -43860 -43860 -0.10008 0.17655 0.052136 43174 2023-02-16 02:25:36,421 INFO [main.py:643]
{rank 0/100} MD step = 88800 step time: 00:00:00.020603 Performance: 316.181 ns/day 0.076 hours/ns 36.595 steps/s 2023-02-16 02:25:37,013 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88800 8880 39.529 -39573 4332.5 -43905 -43905 -0.098501 0.17704 0.05307 43216 2023-02-16 02:25:39,060 INFO [main.py:643]
{rank 0/100} MD step = 88900 step time: 00:00:00.020424 Performance: 316.193 ns/day 0.076 hours/ns 36.596 steps/s 2023-02-16 02:25:39,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88900 8890 40.245 -39400 4410.9 -43811 -43811 -0.097867 0.17683 0.052936 43257 2023-02-16 02:25:41,708 INFO [main.py:643]
{rank 0/100} MD step = 89000 step time: 00:00:00.020393 Performance: 316.204 ns/day 0.076 hours/ns 36.598 steps/s 2023-02-16 02:25:42,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89000 8900 40.203 -39403 4406.3 -43810 -43810 -0.099739 0.17738 0.052879 43328 2023-02-16 02:25:44,880 INFO [main.py:643]
{rank 0/100} MD step = 89100 step time: 00:00:00.020389 Performance: 316.147 ns/day 0.076 hours/ns 36.591 steps/s 2023-02-16 02:25:45,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89100 8910 39.945 -39400 4378 -43778 -43778 -0.09892 0.17691 0.05277 43379 2023-02-16 02:25:47,570 INFO [main.py:643]
{rank 0/100} MD step = 89200 step time: 00:00:00.020378 Performance: 316.152 ns/day 0.076 hours/ns 36.592 steps/s 2023-02-16 02:25:48,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89200 8920 40.263 -39459 4412.9 -43872 -43872 -0.098501 0.17744 0.052803 43428 2023-02-16 02:25:50,246 INFO [main.py:643]
{rank 0/100} MD step = 89300 step time: 00:00:00.020466 Performance: 316.160 ns/day 0.076 hours/ns 36.593 steps/s 2023-02-16 02:25:50,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89300 8930 39.802 -39409 4362.3 -43771 -43771 -0.097253 0.17711 0.051408 43475 2023-02-16 02:25:52,953 INFO [main.py:643]
{rank 0/100} MD step = 89400 step time: 00:00:00.020705 Performance: 316.163 ns/day 0.076 hours/ns 36.593 steps/s 2023-02-16 02:25:54,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89400 8940 39.645 -39506 4345.1 -43852 -43852 -0.098882 0.17741 0.05246 43528 2023-02-16 02:25:57,019 INFO [main.py:643]
{rank 0/100} MD step = 89500 step time: 00:00:00.020409 Performance: 315.991 ns/day 0.076 hours/ns 36.573 steps/s 2023-02-16 02:25:57,563 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89500 8950 40.344 -39496 4421.8 -43918 -43918 -0.10005 0.17672 0.053374 43583 2023-02-16 02:25:59,680 INFO [main.py:643]
{rank 0/100} MD step = 89600 step time: 00:00:00.020506 Performance: 316.000 ns/day 0.076 hours/ns 36.574 steps/s 2023-02-16 02:26:02,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89600 8960 39.787 -39487 4360.7 -43848 -43848 -0.10147 0.17635 0.053241 43623 2023-02-16 02:26:05,369 INFO [main.py:643]
{rank 0/100} MD step = 89700 step time: 00:00:00.020420 Performance: 315.620 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:26:05,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89700 8970 39.695 -39485 4350.6 -43836 -43836 -0.10016 0.17631 0.053355 43689 2023-02-16 02:26:08,350 INFO [main.py:643]
{rank 0/100} MD step = 89800 step time: 00:00:00.021722 Performance: 315.589 ns/day 0.076 hours/ns 36.526 steps/s 2023-02-16 02:26:08,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89800 8980 39.603 -39562 4340.5 -43903 -43903 -0.10065 0.17634 0.053755 43745 2023-02-16 02:26:11,011 INFO [main.py:643]
{rank 0/100} MD step = 89900 step time: 00:00:00.020483 Performance: 315.598 ns/day 0.076 hours/ns 36.528 steps/s 2023-02-16 02:26:11,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89900 8990 40.156 -39460 4401.2 -43861 -43861 -0.10195 0.17616 0.05406 43791 2023-02-16 02:26:13,735 INFO [main.py:643]
{rank 0/100} MD step = 90000 step time: 00:00:00.020284 Performance: 315.600 ns/day 0.076 hours/ns 36.528 steps/s 2023-02-16 02:26:14,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90000 9000 40.499 -39387 4438.7 -43826 -43826 -0.10122 0.17599 0.053603 43854 2023-02-16 02:26:16,396 INFO [main.py:643]
{rank 0/100} MD step = 90100 step time: 00:00:00.020407 Performance: 315.610 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:26:17,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90100 9010 40.425 -39443 4430.6 -43874 -43874 -0.10218 0.17711 0.053917 43893 2023-02-16 02:26:19,106 INFO [main.py:643]
{rank 0/100} MD step = 90200 step time: 00:00:00.020433 Performance: 315.614 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:26:19,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90200 9020 40.356 -39490 4423 -43913 -43913 -0.10295 0.17738 0.054117 43943 2023-02-16 02:26:21,749 INFO [main.py:643]
{rank 0/100} MD step = 90300 step time: 00:00:00.020414 Performance: 315.626 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:26:22,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90300 9030 40.628 -39377 4452.9 -43830 -43830 -0.10042 0.17678 0.053565 43994 2023-02-16 02:26:24,411 INFO [main.py:643]
{rank 0/100} MD step = 90400 step time: 00:00:00.020419 Performance: 315.635 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:26:24,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90400 9040 40.057 -39419 4390.3 -43810 -43810 -0.1001 0.17582 0.054213 44028 2023-02-16 02:26:27,068 INFO [main.py:643]
{rank 0/100} MD step = 90500 step time: 00:00:00.020288 Performance: 315.646 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:26:27,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90500 9050 40.417 -39378 4429.8 -43808 -43808 -0.10001 0.17662 0.053108 44082 2023-02-16 02:26:29,732 INFO [main.py:643]
{rank 0/100} MD step = 90600 step time: 00:00:00.020328 Performance: 315.655 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:26:30,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90600 9060 40.835 -39379 4475.6 -43854 -43854 -0.10262 0.1768 0.05406 44126 2023-02-16 02:26:32,393 INFO [main.py:643]
{rank 0/100} MD step = 90700 step time: 00:00:00.020453 Performance: 315.665 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:26:33,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90700 9070 40.429 -39372 4431 -43803 -43803 -0.10204 0.1766 0.055175 44168 2023-02-16 02:26:35,059 INFO [main.py:643]
{rank 0/100} MD step = 90800 step time: 00:00:00.020513 Performance: 315.674 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:26:35,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90800 9080 40.192 -39380 4405.1 -43785 -43785 -0.10238 0.17725 0.055317 44219 2023-02-16 02:26:37,822 INFO [main.py:643]
{rank 0/100} MD step = 90900 step time: 00:00:00.020383 Performance: 315.670 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:26:38,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90900 9090 40.074 -39392 4392.2 -43784 -43784 -0.10365 0.17763 0.055822 44274 2023-02-16 02:26:40,507 INFO [main.py:643]
{rank 0/100} MD step = 91000 step time: 00:00:00.020379 Performance: 315.677 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:26:40,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91000 9100 39.895 -39491 4372.5 -43863 -43863 -0.10424 0.17761 0.056575 44306 2023-02-16 02:26:43,156 INFO [main.py:643]
{rank 0/100} MD step = 91100 step time: 00:00:00.020676 Performance: 315.688 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:26:43,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91100 9110 40.195 -39412 4405.4 -43817 -43817 -0.10277 0.17814 0.056732 44367 2023-02-16 02:26:45,858 INFO [main.py:643]
{rank 0/100} MD step = 91200 step time: 00:00:00.020509 Performance: 315.692 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:26:46,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91200 9120 39.324 -39528 4310 -43838 -43838 -0.10348 0.17887 0.055965 44408 2023-02-16 02:26:48,583 INFO [main.py:643]
{rank 0/100} MD step = 91300 step time: 00:00:00.020360 Performance: 315.694 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:26:49,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91300 9130 40.415 -39343 4429.6 -43773 -43773 -0.10418 0.17984 0.055898 44459 2023-02-16 02:26:51,405 INFO [main.py:643]
{rank 0/100} MD step = 91400 step time: 00:00:00.020525 Performance: 315.683 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:26:52,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91400 9140 40.161 -39410 4401.7 -43812 -43812 -0.1034 0.17986 0.055541 44509 2023-02-16 02:26:54,095 INFO [main.py:643]
{rank 0/100} MD step = 91500 step time: 00:00:00.020478 Performance: 315.689 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:26:54,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91500 9150 40.014 -39522 4385.5 -43908 -43908 -0.10434 0.17941 0.056136 44552 2023-02-16 02:26:56,861 INFO [main.py:643]
{rank 0/100} MD step = 91600 step time: 00:00:00.020365 Performance: 315.685 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:26:57,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91600 9160 39.835 -39423 4365.9 -43789 -43789 -0.10459 0.17955 0.056908 44615 2023-02-16 02:26:59,533 INFO [main.py:643]
{rank 0/100} MD step = 91700 step time: 00:00:00.020487 Performance: 315.694 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:27:00,149 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91700 9170 40.287 -39473 4415.5 -43888 -43888 -0.10524 0.17951 0.057775 44660 2023-02-16 02:27:02,195 INFO [main.py:643]
{rank 0/100} MD step = 91800 step time: 00:00:00.020639 Performance: 315.703 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:27:02,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91800 9180 40.176 -39416 4403.3 -43820 -43820 -0.10403 0.17984 0.057994 44704 2023-02-16 02:27:04,845 INFO [main.py:643]
{rank 0/100} MD step = 91900 step time: 00:00:00.020397 Performance: 315.714 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:27:05,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91900 9190 39.542 -39489 4333.9 -43822 -43822 -0.10482 0.18016 0.05847 44742 2023-02-16 02:27:07,475 INFO [main.py:643]
{rank 0/100} MD step = 92000 step time: 00:00:00.020530 Performance: 315.727 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:27:07,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92000 9200 40.271 -39439 4413.7 -43853 -43853 -0.10704 0.18062 0.058108 44804 2023-02-16 02:27:10,170 INFO [main.py:643]
{rank 0/100} MD step = 92100 step time: 00:00:00.020310 Performance: 315.732 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:27:11,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92100 9210 39.77 -39428 4358.8 -43787 -43787 -0.10445 0.1807 0.058737 44865 2023-02-16 02:27:13,122 INFO [main.py:643]
{rank 0/100} MD step = 92200 step time: 00:00:00.020485 Performance: 315.705 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:27:13,671 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92200 9220 40.12 -39438 4397.2 -43835 -43835 -0.10404 0.18096 0.05867 44920 2023-02-16 02:27:15,787 INFO [main.py:643]
{rank 0/100} MD step = 92300 step time: 00:00:00.033264 Performance: 315.714 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:27:16,388 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92300 9230 39.748 -39554 4356.4 -43910 -43910 -0.10218 0.18122 0.059032 44948 2023-02-16 02:27:18,426 INFO [main.py:643]
{rank 0/100} MD step = 92400 step time: 00:00:00.020445 Performance: 315.727 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:27:19,095 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92400 9240 40.218 -39333 4407.9 -43741 -43741 -0.10372 0.18188 0.060003 45004 2023-02-16 02:27:21,188 INFO [main.py:643]
{rank 0/100} MD step = 92500 step time: 00:00:00.020317 Performance: 315.723 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:27:21,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92500 9250 39.05 -39508 4279.9 -43788 -43788 -0.10166 0.1821 0.059775 45040 2023-02-16 02:27:23,952 INFO [main.py:643]
{rank 0/100} MD step = 92600 step time: 00:00:00.020595 Performance: 315.720 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:27:24,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92600 9260 39.773 -39432 4359.1 -43791 -43791 -0.10302 0.18308 0.059813 45081 2023-02-16 02:27:26,692 INFO [main.py:643]
{rank 0/100} MD step = 92700 step time: 00:00:00.020429 Performance: 315.720 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:27:29,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92700 9270 39.727 -39457 4354.2 -43811 -43811 -0.10357 0.18302 0.060189 45128 2023-02-16 02:27:31,421 INFO [main.py:643]
{rank 0/100} MD step = 92800 step time: 00:00:00.020559 Performance: 315.472 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:27:31,967 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92800 9280 39.721 -39504 4353.5 -43858 -43858 -0.10543 0.18393 0.059565 45172 2023-02-16 02:27:34,127 INFO [main.py:643]
{rank 0/100} MD step = 92900 step time: 00:00:00.020428 Performance: 315.476 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:27:34,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92900 9290 39.766 -39359 4358.4 -43718 -43718 -0.10471 0.18373 0.059184 45229 2023-02-16 02:27:36,922 INFO [main.py:643]
{rank 0/100} MD step = 93000 step time: 00:00:00.020446 Performance: 315.469 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:27:37,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93000 9300 40.334 -39415 4420.6 -43836 -43836 -0.10507 0.18433 0.059641 45282 2023-02-16 02:27:39,645 INFO [main.py:643]
{rank 0/100} MD step = 93100 step time: 00:00:00.020446 Performance: 315.471 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:27:40,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93100 9310 39.504 -39456 4329.7 -43786 -43786 -0.1054 0.18445 0.059813 45319 2023-02-16 02:27:42,318 INFO [main.py:643]
{rank 0/100} MD step = 93200 step time: 00:00:00.020478 Performance: 315.479 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:27:42,861 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93200 9320 39.999 -39438 4383.9 -43822 -43822 -0.105 0.18567 0.059422 45378 2023-02-16 02:27:45,050 INFO [main.py:643]
{rank 0/100} MD step = 93300 step time: 00:00:00.020442 Performance: 315.480 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:27:45,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93300 9330 39.824 -39446 4364.8 -43810 -43810 -0.10756 0.18624 0.058994 45438 2023-02-16 02:27:47,665 INFO [main.py:643]
{rank 0/100} MD step = 93400 step time: 00:00:00.020402 Performance: 315.495 ns/day 0.076 hours/ns 36.516 steps/s 2023-02-16 02:27:48,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93400 9340 40.391 -39360 4426.9 -43787 -43787 -0.10727 0.18635 0.058994 45493 2023-02-16 02:27:50,325 INFO [main.py:643]
{rank 0/100} MD step = 93500 step time: 00:00:00.020310 Performance: 315.505 ns/day 0.076 hours/ns 36.517 steps/s 2023-02-16 02:27:50,840 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93500 9350 40.295 -39394 4416.3 -43810 -43810 -0.10715 0.18619 0.058841 45535 2023-02-16 02:27:52,985 INFO [main.py:643]
{rank 0/100} MD step = 93600 step time: 00:00:00.021230 Performance: 315.515 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:27:53,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93600 9360 39.355 -39531 4313.4 -43844 -43844 -0.1076 0.18618 0.05886 45584 2023-02-16 02:27:55,668 INFO [main.py:643]
{rank 0/100} MD step = 93700 step time: 00:00:00.020298 Performance: 315.522 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:27:56,367 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93700 9370 40.081 -39444 4393 -43837 -43837 -0.10743 0.1866 0.059651 45634 2023-02-16 02:27:58,426 INFO [main.py:643]
{rank 0/100} MD step = 93800 step time: 00:00:00.020917 Performance: 315.519 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:27:59,004 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93800 9380 40.004 -39409 4384.5 -43794 -43794 -0.10665 0.18736 0.060003 45681 2023-02-16 02:28:01,132 INFO [main.py:643]
{rank 0/100} MD step = 93900 step time: 00:00:00.020481 Performance: 315.523 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:28:01,698 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93900 9390 40.157 -39466 4401.2 -43867 -43867 -0.10809 0.18715 0.059051 45712 2023-02-16 02:28:03,765 INFO [main.py:643]
{rank 0/100} MD step = 94000 step time: 00:00:00.020493 Performance: 315.536 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:28:04,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94000 9400 40.328 -39461 4420 -43881 -43881 -0.11041 0.18658 0.058737 45757 2023-02-16 02:28:06,449 INFO [main.py:643]
{rank 0/100} MD step = 94100 step time: 00:00:00.020418 Performance: 315.543 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:28:06,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94100 9410 40.082 -39419 4393 -43812 -43812 -0.11265 0.18633 0.058765 45818 2023-02-16 02:28:09,103 INFO [main.py:643]
{rank 0/100} MD step = 94200 step time: 00:00:00.020379 Performance: 315.553 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:28:09,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94200 9420 40.067 -39402 4391.4 -43794 -43794 -0.11337 0.18673 0.058203 45865 2023-02-16 02:28:11,872 INFO [main.py:643]
{rank 0/100} MD step = 94300 step time: 00:00:00.020978 Performance: 315.549 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:28:12,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94300 9430 39.81 -39455 4363.2 -43819 -43819 -0.11374 0.18736 0.057232 45899 2023-02-16 02:28:14,583 INFO [main.py:643]
{rank 0/100} MD step = 94400 step time: 00:00:00.020287 Performance: 315.552 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:28:15,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94400 9440 39.296 -39518 4306.9 -43825 -43825 -0.1141 0.18746 0.056575 45951 2023-02-16 02:28:17,270 INFO [main.py:643]
{rank 0/100} MD step = 94500 step time: 00:00:00.020563 Performance: 315.559 ns/day 0.076 hours/ns 36.523 steps/s 2023-02-16 02:28:17,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94500 9450 40.006 -39474 4384.7 -43859 -43859 -0.1147 0.18791 0.057051 45996 2023-02-16 02:28:20,166 INFO [main.py:643]
{rank 0/100} MD step = 94600 step time: 00:00:00.020550 Performance: 315.539 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:28:20,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94600 9460 40.188 -39399 4404.6 -43804 -43804 -0.11486 0.18726 0.056534 46064 2023-02-16 02:28:22,832 INFO [main.py:643]
{rank 0/100} MD step = 94700 step time: 00:00:00.020483 Performance: 315.548 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:28:23,261 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94700 9470 40.126 -39457 4397.9 -43855 -43855 -0.11459 0.18805 0.056232 46102 2023-02-16 02:28:25,526 INFO [main.py:643]
{rank 0/100} MD step = 94800 step time: 00:00:00.020439 Performance: 315.554 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:28:26,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94800 9480 40.192 -39423 4405 -43828 -43828 -0.11435 0.18812 0.05606 46148 2023-02-16 02:28:28,252 INFO [main.py:643]
{rank 0/100} MD step = 94900 step time: 00:00:00.021828 Performance: 315.555 ns/day 0.076 hours/ns 36.523 steps/s 2023-02-16 02:28:28,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94900 9490 40.045 -39540 4389 -43929 -43929 -0.11527 0.18778 0.055422 46190 2023-02-16 02:28:30,868 INFO [main.py:643]
{rank 0/100} MD step = 95000 step time: 00:00:00.020400 Performance: 315.570 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:28:31,353 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95000 9500 39.836 -39473 4366.1 -43839 -43839 -0.11339 0.18776 0.055494 46237 2023-02-16 02:28:33,598 INFO [main.py:643]
{rank 0/100} MD step = 95100 step time: 00:00:00.020307 Performance: 315.571 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:28:34,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95100 9510 39.433 -39452 4322 -43774 -43774 -0.11356 0.18812 0.055736 46300 2023-02-16 02:28:36,249 INFO [main.py:643]
{rank 0/100} MD step = 95200 step time: 00:00:00.020429 Performance: 315.581 ns/day 0.076 hours/ns 36.526 steps/s 2023-02-16 02:28:36,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95200 9520 39.97 -39577 4380.7 -43958 -43958 -0.11313 0.18811 0.056517 46353 2023-02-16 02:28:38,934 INFO [main.py:643]
{rank 0/100} MD step = 95300 step time: 00:00:00.020534 Performance: 315.588 ns/day 0.076 hours/ns 36.526 steps/s 2023-02-16 02:28:39,312 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95300 9530 40.259 -39462 4412.5 -43874 -43874 -0.11385 0.18704 0.055979 46391 2023-02-16 02:28:41,597 INFO [main.py:643]
{rank 0/100} MD step = 95400 step time: 00:00:00.020447 Performance: 315.597 ns/day 0.076 hours/ns 36.527 steps/s 2023-02-16 02:28:42,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95400 9540 39.704 -39500 4351.6 -43852 -43852 -0.11391 0.1872 0.056756 46444 2023-02-16 02:28:44,238 INFO [main.py:643]
{rank 0/100} MD step = 95500 step time: 00:00:00.020310 Performance: 315.608 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:28:44,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95500 9550 39.809 -39431 4363.1 -43794 -43794 -0.11397 0.18739 0.057565 46485 2023-02-16 02:28:46,885 INFO [main.py:643]
{rank 0/100} MD step = 95600 step time: 00:00:00.020354 Performance: 315.619 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:28:49,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95600 9560 40.174 -39410 4403.1 -43813 -43813 -0.11414 0.18762 0.057432 46538 2023-02-16 02:28:51,812 INFO [main.py:643]
{rank 0/100} MD step = 95700 step time: 00:00:00.020433 Performance: 315.356 ns/day 0.076 hours/ns 36.500 steps/s 2023-02-16 02:28:52,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95700 9570 39.809 -39525 4363.2 -43888 -43888 -0.1133 0.18797 0.056065 46593 2023-02-16 02:28:54,521 INFO [main.py:643]
{rank 0/100} MD step = 95800 step time: 00:00:00.020321 Performance: 315.359 ns/day 0.076 hours/ns 36.500 steps/s 2023-02-16 02:28:55,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95800 9580 39.911 -39466 4374.3 -43840 -43840 -0.11471 0.18807 0.057527 46640 2023-02-16 02:28:57,189 INFO [main.py:643]
{rank 0/100} MD step = 95900 step time: 00:00:00.021107 Performance: 315.368 ns/day 0.076 hours/ns 36.501 steps/s 2023-02-16 02:28:57,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95900 9590 40.052 -39427 4389.7 -43816 -43816 -0.11292 0.18851 0.057975 46680 2023-02-16 02:28:59,880 INFO [main.py:643]
{rank 0/100} MD step = 96000 step time: 00:00:00.020512 Performance: 315.374 ns/day 0.076 hours/ns 36.502 steps/s 2023-02-16 02:29:00,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96000 9600 39.95 -39458 4378.6 -43837 -43837 -0.11231 0.18917 0.058118 46723 2023-02-16 02:29:02,524 INFO [main.py:643]
{rank 0/100} MD step = 96100 step time: 00:00:00.020486 Performance: 315.385 ns/day 0.076 hours/ns 36.503 steps/s 2023-02-16 02:29:03,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96100 9610 39.903 -39448 4373.4 -43821 -43821 -0.11331 0.18941 0.05816 46776 2023-02-16 02:29:05,263 INFO [main.py:643]
{rank 0/100} MD step = 96200 step time: 00:00:00.020425 Performance: 315.385 ns/day 0.076 hours/ns 36.503 steps/s 2023-02-16 02:29:05,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96200 9620 40.163 -39515 4401.9 -43917 -43917 -0.11279 0.18934 0.05806 46818 2023-02-16 02:29:07,984 INFO [main.py:643]
{rank 0/100} MD step = 96300 step time: 00:00:00.020437 Performance: 315.388 ns/day 0.076 hours/ns 36.503 steps/s 2023-02-16 02:29:08,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96300 9630 40.627 -39372 4452.8 -43825 -43825 -0.11286 0.18931 0.057984 46872 2023-02-16 02:29:10,683 INFO [main.py:643]
{rank 0/100} MD step = 96400 step time: 00:00:00.020420 Performance: 315.392 ns/day 0.076 hours/ns 36.504 steps/s 2023-02-16 02:29:11,263 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96400 9640 39.934 -39467 4376.8 -43844 -43844 -0.11213 0.18941 0.058194 46924 2023-02-16 02:29:13,351 INFO [main.py:643]
{rank 0/100} MD step = 96500 step time: 00:00:00.020337 Performance: 315.401 ns/day 0.076 hours/ns 36.505 steps/s 2023-02-16 02:29:14,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96500 9650 40.032 -39521 4387.6 -43909 -43909 -0.11269 0.18999 0.05846 46962 2023-02-16 02:29:16,331 INFO [main.py:643]
{rank 0/100} MD step = 96600 step time: 00:00:00.020517 Performance: 315.372 ns/day 0.076 hours/ns 36.501 steps/s 2023-02-16 02:29:17,098 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96600 9660 40.162 -39438 4401.8 -43839 -43839 -0.11152 0.1895 0.058318 47011 2023-02-16 02:29:19,144 INFO [main.py:643]
{rank 0/100} MD step = 96700 step time: 00:00:00.020465 Performance: 315.363 ns/day 0.076 hours/ns 36.500 steps/s 2023-02-16 02:29:20,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96700 9670 39.935 -39459 4376.9 -43836 -43836 -0.11021 0.18961 0.058527 47089 2023-02-16 02:29:22,173 INFO [main.py:643]
{rank 0/100} MD step = 96800 step time: 00:00:00.020413 Performance: 315.329 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:29:22,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96800 9680 39.987 -39445 4382.6 -43827 -43827 -0.11044 0.18953 0.05826 47131 2023-02-16 02:29:24,992 INFO [main.py:643]
{rank 0/100} MD step = 96900 step time: 00:00:00.020808 Performance: 315.320 ns/day 0.076 hours/ns 36.495 steps/s 2023-02-16 02:29:25,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96900 9690 39.967 -39429 4380.5 -43810 -43810 -0.11033 0.19087 0.058175 47174 2023-02-16 02:29:27,695 INFO [main.py:643]
{rank 0/100} MD step = 97000 step time: 00:00:00.020402 Performance: 315.324 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:29:28,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97000 9700 39.33 -39506 4310.6 -43817 -43817 -0.10987 0.19064 0.057927 47214 2023-02-16 02:29:30,381 INFO [main.py:643]
{rank 0/100} MD step = 97100 step time: 00:00:00.020493 Performance: 315.331 ns/day 0.076 hours/ns 36.497 steps/s 2023-02-16 02:29:31,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97100 9710 40.297 -39405 4416.6 -43822 -43822 -0.1092 0.19079 0.058118 47274 2023-02-16 02:29:33,186 INFO [main.py:643]
{rank 0/100} MD step = 97200 step time: 00:00:00.020478 Performance: 315.323 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:29:33,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97200 9720 39.28 -39423 4305.1 -43728 -43728 -0.11099 0.19111 0.05886 47309 2023-02-16 02:29:35,895 INFO [main.py:643]
{rank 0/100} MD step = 97300 step time: 00:00:00.020627 Performance: 315.327 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:29:36,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97300 9730 39.461 -39505 4325 -43830 -43830 -0.11164 0.1918 0.059089 47362 2023-02-16 02:29:38,651 INFO [main.py:643]
{rank 0/100} MD step = 97400 step time: 00:00:00.020469 Performance: 315.325 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:29:39,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97400 9740 39.506 -39544 4329.9 -43874 -43874 -0.11215 0.19205 0.05857 47407 2023-02-16 02:29:41,303 INFO [main.py:643]
{rank 0/100} MD step = 97500 step time: 00:00:00.020351 Performance: 315.335 ns/day 0.076 hours/ns 36.497 steps/s 2023-02-16 02:29:41,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97500 9750 39.642 -39453 4344.9 -43798 -43798 -0.11314 0.19247 0.058727 47480 2023-02-16 02:29:43,959 INFO [main.py:643]
{rank 0/100} MD step = 97600 step time: 00:00:00.020420 Performance: 315.345 ns/day 0.076 hours/ns 36.498 steps/s 2023-02-16 02:29:44,872 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97600 9760 39.753 -39485 4356.9 -43842 -43842 -0.11311 0.19265 0.059327 47513 2023-02-16 02:29:46,965 INFO [main.py:643]
{rank 0/100} MD step = 97700 step time: 00:00:00.020372 Performance: 315.314 ns/day 0.076 hours/ns 36.495 steps/s 2023-02-16 02:29:47,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97700 9770 39.852 -39525 4367.8 -43892 -43892 -0.11212 0.19308 0.060265 47550 2023-02-16 02:29:49,652 INFO [main.py:643]
{rank 0/100} MD step = 97800 step time: 00:00:00.020466 Performance: 315.320 ns/day 0.076 hours/ns 36.495 steps/s 2023-02-16 02:29:50,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97800 9780 40.201 -39440 4406 -43846 -43846 -0.1114 0.1936 0.059718 47603 2023-02-16 02:29:52,351 INFO [main.py:643]
{rank 0/100} MD step = 97900 step time: 00:00:00.020489 Performance: 315.325 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:29:52,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97900 9790 39.851 -39468 4367.8 -43836 -43836 -0.11123 0.19235 0.058651 47637 2023-02-16 02:29:55,004 INFO [main.py:643]
{rank 0/100} MD step = 98000 step time: 00:00:00.020369 Performance: 315.335 ns/day 0.076 hours/ns 36.497 steps/s 2023-02-16 02:29:55,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98000 9800 40.016 -39468 4385.8 -43854 -43854 -0.11262 0.19308 0.058403 47680 2023-02-16 02:29:57,670 INFO [main.py:643]
{rank 0/100} MD step = 98100 step time: 00:00:00.020472 Performance: 315.343 ns/day 0.076 hours/ns 36.498 steps/s 2023-02-16 02:29:58,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98100 9810 40.438 -39443 4432.1 -43875 -43875 -0.11597 0.19275 0.058375 47729 2023-02-16 02:30:00,460 INFO [main.py:643]
{rank 0/100} MD step = 98200 step time: 00:00:00.020751 Performance: 315.338 ns/day 0.076 hours/ns 36.497 steps/s 2023-02-16 02:30:00,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98200 9820 40.457 -39393 4434.1 -43827 -43827 -0.11696 0.19279 0.059218 47783 2023-02-16 02:30:03,110 INFO [main.py:643]
{rank 0/100} MD step = 98300 step time: 00:00:00.020393 Performance: 315.348 ns/day 0.076 hours/ns 36.499 steps/s 2023-02-16 02:30:03,734 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98300 9830 40.159 -39422 4401.5 -43823 -43823 -0.11742 0.19319 0.059051 47829 2023-02-16 02:30:05,789 INFO [main.py:643]
{rank 0/100} MD step = 98400 step time: 00:00:00.020332 Performance: 315.355 ns/day 0.076 hours/ns 36.499 steps/s 2023-02-16 02:30:06,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98400 9840 40.049 -39440 4389.4 -43829 -43829 -0.12003 0.19226 0.058784 47876 2023-02-16 02:30:08,467 INFO [main.py:643]
{rank 0/100} MD step = 98500 step time: 00:00:00.020383 Performance: 315.363 ns/day 0.076 hours/ns 36.500 steps/s 2023-02-16 02:30:08,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98500 9850 39.942 -39423 4377.7 -43800 -43800 -0.12084 0.19245 0.058727 47937 2023-02-16 02:30:11,126 INFO [main.py:643]
{rank 0/100} MD step = 98600 step time: 00:00:00.020386 Performance: 315.372 ns/day 0.076 hours/ns 36.501 steps/s 2023-02-16 02:30:11,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98600 9860 39.978 -39458 4381.6 -43840 -43840 -0.12262 0.19241 0.059408 47975 2023-02-16 02:30:13,781 INFO [main.py:643]
{rank 0/100} MD step = 98700 step time: 00:00:00.020461 Performance: 315.382 ns/day 0.076 hours/ns 36.503 steps/s 2023-02-16 02:30:14,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98700 9870 40.207 -39373 4406.7 -43780 -43780 -0.12325 0.19304 0.059289 48026 2023-02-16 02:30:16,460 INFO [main.py:643]
{rank 0/100} MD step = 98800 step time: 00:00:00.020411 Performance: 315.389 ns/day 0.076 hours/ns 36.503 steps/s 2023-02-16 02:30:16,985 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98800 9880 40.224 -39445 4408.6 -43853 -43853 -0.12314 0.19317 0.059184 48075 2023-02-16 02:30:19,125 INFO [main.py:643]
{rank 0/100} MD step = 98900 step time: 00:00:00.020604 Performance: 315.398 ns/day 0.076 hours/ns 36.504 steps/s 2023-02-16 02:30:19,792 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98900 9890 39.775 -39491 4359.4 -43850 -43850 -0.1232 0.19313 0.059603 48114 2023-02-16 02:30:21,817 INFO [main.py:643]
{rank 0/100} MD step = 99000 step time: 00:00:00.020390 Performance: 315.403 ns/day 0.076 hours/ns 36.505 steps/s 2023-02-16 02:30:22,474 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99000 9900 39.757 -39439 4357.4 -43796 -43796 -0.12379 0.19366 0.060051 48159 2023-02-16 02:30:24,512 INFO [main.py:643]
{rank 0/100} MD step = 99100 step time: 00:00:00.020352 Performance: 315.408 ns/day 0.076 hours/ns 36.506 steps/s 2023-02-16 02:30:25,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99100 9910 39.557 -39503 4335.5 -43838 -43838 -0.12325 0.19393 0.060003 48206 2023-02-16 02:30:27,207 INFO [main.py:643]
{rank 0/100} MD step = 99200 step time: 00:00:00.020468 Performance: 315.413 ns/day 0.076 hours/ns 36.506 steps/s 2023-02-16 02:30:27,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99200 9920 40.301 -39442 4417 -43859 -43859 -0.12302 0.19539 0.060337 48275 2023-02-16 02:30:29,966 INFO [main.py:643]
{rank 0/100} MD step = 99300 step time: 00:00:00.020461 Performance: 315.411 ns/day 0.076 hours/ns 36.506 steps/s 2023-02-16 02:30:30,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99300 9930 40.033 -39491 4387.7 -43879 -43879 -0.12016 0.19673 0.060422 48317 2023-02-16 02:30:32,705 INFO [main.py:643]
{rank 0/100} MD step = 99400 step time: 00:00:00.020554 Performance: 315.411 ns/day 0.076 hours/ns 36.506 steps/s 2023-02-16 02:30:33,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99400 9940 40.265 -39467 4413.1 -43880 -43880 -0.11961 0.19694 0.060975 48363 2023-02-16 02:30:35,374 INFO [main.py:643]
{rank 0/100} MD step = 99500 step time: 00:00:00.020407 Performance: 315.419 ns/day 0.076 hours/ns 36.507 steps/s 2023-02-16 02:30:35,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99500 9950 40.021 -39483 4386.4 -43869 -43869 -0.11981 0.19694 0.061182 48406 2023-02-16 02:30:38,086 INFO [main.py:643]
{rank 0/100} MD step = 99600 step time: 00:00:00.020378 Performance: 315.422 ns/day 0.076 hours/ns 36.507 steps/s 2023-02-16 02:30:38,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99600 9960 40.324 -39421 4419.5 -43840 -43840 -0.12004 0.19796 0.061089 48450 2023-02-16 02:30:40,755 INFO [main.py:643]
{rank 0/100} MD step = 99700 step time: 00:00:00.020425 Performance: 315.430 ns/day 0.076 hours/ns 36.508 steps/s 2023-02-16 02:30:41,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99700 9970 39.75 -39488 4356.7 -43845 -43845 -0.12027 0.19696 0.060156 48488 2023-02-16 02:30:43,398 INFO [main.py:643]
{rank 0/100} MD step = 99800 step time: 00:00:00.020489 Performance: 315.442 ns/day 0.076 hours/ns 36.509 steps/s 2023-02-16 02:30:44,037 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99800 9980 39.893 -39531 4372.3 -43903 -43903 -0.12147 0.19664 0.060194 48535 2023-02-16 02:30:46,120 INFO [main.py:643]
{rank 0/100} MD step = 99900 step time: 00:00:00.020558 Performance: 315.444 ns/day 0.076 hours/ns 36.510 steps/s 2023-02-16 02:30:46,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99900 9990 40.403 -39554 4428.2 -43982 -43982 -0.12208 0.19698 0.060832 48601 2023-02-16 02:30:48,784 INFO [main.py:643]
{rank 0/100} MD step = 100000 step time: 00:00:00.020374 Performance: 315.452 ns/day 0.076 hours/ns 36.511 steps/s 2023-02-16 02:30:49,398 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100000 10000 40.008 -39506 4384.9 -43891 -43891 -0.12184 0.19671 0.061489 48654 2023-02-16 02:30:51,556 INFO [main.py:643]
{rank 0/100} MD step = 100100 step time: 00:00:00.020445 Performance: 315.448 ns/day 0.076 hours/ns 36.510 steps/s 2023-02-16 02:30:52,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100100 10010 40.227 -39474 4409 -43883 -43883 -0.12344 0.19658 0.061403 48694 2023-02-16 02:30:54,205 INFO [main.py:643]
{rank 0/100} MD step = 100200 step time: 00:00:00.020501 Performance: 315.459 ns/day 0.076 hours/ns 36.511 steps/s 2023-02-16 02:30:54,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100200 10020 40.532 -39474 4442.3 -43916 -43916 -0.12228 0.19664 0.061337 48749 2023-02-16 02:30:56,882 INFO [main.py:643]
{rank 0/100} MD step = 100300 step time: 00:00:00.020297 Performance: 315.466 ns/day 0.076 hours/ns 36.512 steps/s 2023-02-16 02:30:57,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100300 10030 40.162 -39465 4401.8 -43866 -43866 -0.12465 0.19662 0.06187 48822 2023-02-16 02:30:59,518 INFO [main.py:643]
{rank 0/100} MD step = 100400 step time: 00:00:00.020425 Performance: 315.478 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:31:00,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100400 10040 40.002 -39422 4384.3 -43806 -43806 -0.12661 0.19681 0.062113 48876 2023-02-16 02:31:02,259 INFO [main.py:643]
{rank 0/100} MD step = 100500 step time: 00:00:00.022818 Performance: 315.477 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:31:02,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100500 10050 39.912 -39480 4374.4 -43854 -43854 -0.12816 0.19646 0.062118 48935 2023-02-16 02:31:04,935 INFO [main.py:643]
{rank 0/100} MD step = 100600 step time: 00:00:00.020298 Performance: 315.484 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:31:05,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100600 10060 40.105 -39460 4395.5 -43855 -43855 -0.12982 0.19623 0.062689 48981 2023-02-16 02:31:07,718 INFO [main.py:643]
{rank 0/100} MD step = 100700 step time: 00:00:00.020364 Performance: 315.479 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:31:08,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100700 10070 40.274 -39465 4414.1 -43879 -43879 -0.13121 0.19604 0.062794 49033 2023-02-16 02:31:10,369 INFO [main.py:643]
{rank 0/100} MD step = 100800 step time: 00:00:00.020471 Performance: 315.490 ns/day 0.076 hours/ns 36.515 steps/s 2023-02-16 02:31:10,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100800 10080 40.633 -39390 4453.4 -43843 -43843 -0.13276 0.19533 0.062042 49106 2023-02-16 02:31:13,023 INFO [main.py:643]
{rank 0/100} MD step = 100900 step time: 00:00:00.020469 Performance: 315.499 ns/day 0.076 hours/ns 36.516 steps/s 2023-02-16 02:31:13,680 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100900 10090 39.873 -39501 4370.1 -43871 -43871 -0.13382 0.19675 0.062556 49131 2023-02-16 02:31:15,769 INFO [main.py:643]
{rank 0/100} MD step = 101000 step time: 00:00:00.020594 Performance: 315.498 ns/day 0.076 hours/ns 36.516 steps/s 2023-02-16 02:31:16,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101000 10100 40.605 -39421 4450.3 -43872 -43872 -0.13483 0.19647 0.062461 49197 2023-02-16 02:31:18,722 INFO [main.py:643]
{rank 0/100} MD step = 101100 step time: 00:00:00.020579 Performance: 315.474 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:31:19,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101100 10110 40.536 -39453 4442.8 -43896 -43896 -0.13396 0.19712 0.06268 49240 2023-02-16 02:31:21,485 INFO [main.py:643]
{rank 0/100} MD step = 101200 step time: 00:00:00.020410 Performance: 315.471 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:31:21,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101200 10120 39.601 -39512 4340.3 -43852 -43852 -0.1347 0.19689 0.062594 49283 2023-02-16 02:31:24,123 INFO [main.py:643]
{rank 0/100} MD step = 101300 step time: 00:00:00.020440 Performance: 315.482 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:31:24,653 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101300 10130 39.627 -39532 4343.1 -43875 -43875 -0.13475 0.19734 0.062165 49346 2023-02-16 02:31:26,803 INFO [main.py:643]
{rank 0/100} MD step = 101400 step time: 00:00:00.020583 Performance: 315.489 ns/day 0.076 hours/ns 36.515 steps/s 2023-02-16 02:31:27,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101400 10140 40.106 -39380 4395.6 -43776 -43776 -0.1341 0.19744 0.062661 49399 2023-02-16 02:31:29,467 INFO [main.py:643]
{rank 0/100} MD step = 101500 step time: 00:00:00.020372 Performance: 315.498 ns/day 0.076 hours/ns 36.516 steps/s 2023-02-16 02:31:29,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101500 10150 39.739 -39458 4355.4 -43813 -43813 -0.13331 0.19763 0.062384 49449 2023-02-16 02:31:32,174 INFO [main.py:643]
{rank 0/100} MD step = 101600 step time: 00:00:00.020444 Performance: 315.501 ns/day 0.076 hours/ns 36.516 steps/s 2023-02-16 02:31:32,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101600 10160 39.83 -39482 4365.4 -43847 -43847 -0.13386 0.19715 0.063165 49476 2023-02-16 02:31:34,823 INFO [main.py:643]
{rank 0/100} MD step = 101700 step time: 00:00:00.020328 Performance: 315.511 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:31:35,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101700 10170 39.602 -39579 4340.4 -43920 -43920 -0.13521 0.19777 0.06307 49515 2023-02-16 02:31:37,505 INFO [main.py:643]
{rank 0/100} MD step = 101800 step time: 00:00:00.020337 Performance: 315.518 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:31:38,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101800 10180 40.129 -39476 4398.2 -43874 -43874 -0.13479 0.19822 0.063485 49564 2023-02-16 02:31:40,253 INFO [main.py:643]
{rank 0/100} MD step = 101900 step time: 00:00:00.020395 Performance: 315.517 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:31:40,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101900 10190 39.915 -39449 4374.7 -43824 -43824 -0.13446 0.19839 0.063185 49619 2023-02-16 02:31:42,956 INFO [main.py:643]
{rank 0/100} MD step = 102000 step time: 00:00:00.020420 Performance: 315.521 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:31:43,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102000 10200 39.738 -39447 4355.4 -43802 -43802 -0.13324 0.19766 0.061851 49668 2023-02-16 02:31:45,605 INFO [main.py:643]
{rank 0/100} MD step = 102100 step time: 00:00:00.020628 Performance: 315.531 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:31:46,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102100 10210 40.302 -39463 4417.1 -43881 -43881 -0.13355 0.19758 0.062404 49715 2023-02-16 02:31:48,305 INFO [main.py:643]
{rank 0/100} MD step = 102200 step time: 00:00:00.021672 Performance: 315.535 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:31:48,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102200 10220 39.971 -39473 4380.9 -43854 -43854 -0.13331 0.19691 0.063051 49764 2023-02-16 02:31:50,998 INFO [main.py:643]
{rank 0/100} MD step = 102300 step time: 00:00:00.020477 Performance: 315.540 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:31:51,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102300 10230 40.248 -39423 4411.2 -43834 -43834 -0.1325 0.19643 0.063708 49800 2023-02-16 02:31:53,666 INFO [main.py:643]
{rank 0/100} MD step = 102400 step time: 00:00:00.020355 Performance: 315.548 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:31:54,302 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102400 10240 39.686 -39583 4349.7 -43932 -43932 -0.13312 0.19653 0.063118 49853 2023-02-16 02:31:56,354 INFO [main.py:643]
{rank 0/100} MD step = 102500 step time: 00:00:00.020668 Performance: 315.554 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:31:56,847 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102500 10250 39.878 -39323 4370.7 -43694 -43694 -0.13239 0.19655 0.064008 49911 2023-02-16 02:31:58,997 INFO [main.py:643]
{rank 0/100} MD step = 102600 step time: 00:00:00.020313 Performance: 315.564 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:31:59,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102600 10260 39.655 -39508 4346.2 -43854 -43854 -0.13264 0.19616 0.06428 49951 2023-02-16 02:32:01,735 INFO [main.py:643]
{rank 0/100} MD step = 102700 step time: 00:00:00.020581 Performance: 315.564 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:32:02,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102700 10270 39.863 -39535 4369.1 -43904 -43904 -0.13215 0.19667 0.06488 50003 2023-02-16 02:32:04,383 INFO [main.py:643]
{rank 0/100} MD step = 102800 step time: 00:00:00.020419 Performance: 315.574 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:32:05,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102800 10280 39.96 -39484 4379.7 -43864 -43864 -0.13178 0.19753 0.065089 50062 2023-02-16 02:32:07,118 INFO [main.py:643]
{rank 0/100} MD step = 102900 step time: 00:00:00.020530 Performance: 315.575 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:32:07,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102900 10290 39.531 -39543 4332.6 -43876 -43876 -0.13239 0.19715 0.065508 50103 2023-02-16 02:32:09,756 INFO [main.py:643]
{rank 0/100} MD step = 103000 step time: 00:00:00.020437 Performance: 315.586 ns/day 0.076 hours/ns 36.526 steps/s 2023-02-16 02:32:10,391 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103000 10300 40.577 -39399 4447.3 -43846 -43846 -0.13334 0.19691 0.066394 50140 2023-02-16 02:32:12,434 INFO [main.py:643]
{rank 0/100} MD step = 103100 step time: 00:00:00.020396 Performance: 315.593 ns/day 0.076 hours/ns 36.527 steps/s 2023-02-16 02:32:13,098 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103100 10310 40.125 -39414 4397.8 -43812 -43812 -0.1342 0.19744 0.066894 50208 2023-02-16 02:32:15,126 INFO [main.py:643]
{rank 0/100} MD step = 103200 step time: 00:00:00.020435 Performance: 315.598 ns/day 0.076 hours/ns 36.528 steps/s 2023-02-16 02:32:15,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103200 10320 39.359 -39622 4313.8 -43936 -43936 -0.13445 0.19795 0.067109 50249 2023-02-16 02:32:17,831 INFO [main.py:643]
{rank 0/100} MD step = 103300 step time: 00:00:00.020320 Performance: 315.601 ns/day 0.076 hours/ns 36.528 steps/s 2023-02-16 02:32:18,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103300 10330 39.625 -39468 4343 -43811 -43811 -0.13468 0.19851 0.067718 50304 2023-02-16 02:32:20,476 INFO [main.py:643]
{rank 0/100} MD step = 103400 step time: 00:00:00.020483 Performance: 315.612 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:32:20,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103400 10340 39.308 -39546 4308.2 -43855 -43855 -0.1335 0.19904 0.067832 50352 2023-02-16 02:32:23,143 INFO [main.py:643]
{rank 0/100} MD step = 103500 step time: 00:00:00.020483 Performance: 315.620 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:32:23,717 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103500 10350 40.277 -39493 4414.4 -43907 -43907 -0.1333 0.19906 0.068347 50402 2023-02-16 02:32:25,796 INFO [main.py:643]
{rank 0/100} MD step = 103600 step time: 00:00:00.020383 Performance: 315.629 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:32:26,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103600 10360 39.697 -39438 4350.8 -43789 -43789 -0.13339 0.19949 0.068804 50458 2023-02-16 02:32:28,482 INFO [main.py:643]
{rank 0/100} MD step = 103700 step time: 00:00:00.020302 Performance: 315.635 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:32:29,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103700 10370 39.801 -39452 4362.2 -43815 -43815 -0.13296 0.19953 0.068385 50504 2023-02-16 02:32:31,146 INFO [main.py:643]
{rank 0/100} MD step = 103800 step time: 00:00:00.020421 Performance: 315.643 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:32:31,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103800 10380 39.684 -39450 4349.4 -43800 -43800 -0.13395 0.19967 0.067956 50560 2023-02-16 02:32:33,803 INFO [main.py:643]
{rank 0/100} MD step = 103900 step time: 00:00:00.020466 Performance: 315.652 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:32:34,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103900 10390 39.798 -39470 4361.9 -43832 -43832 -0.13418 0.20097 0.068023 50604 2023-02-16 02:32:36,474 INFO [main.py:643]
{rank 0/100} MD step = 104000 step time: 00:00:00.020331 Performance: 315.659 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:32:37,103 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104000 10400 40.521 -39350 4441.1 -43792 -43792 -0.1337 0.20086 0.068023 50667 2023-02-16 02:32:39,143 INFO [main.py:643]
{rank 0/100} MD step = 104100 step time: 00:00:00.020474 Performance: 315.667 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:32:39,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104100 10410 39.407 -39511 4319.1 -43830 -43830 -0.13475 0.20148 0.067518 50718 2023-02-16 02:32:41,848 INFO [main.py:643]
{rank 0/100} MD step = 104200 step time: 00:00:00.020429 Performance: 315.670 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:32:42,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104200 10420 40.144 -39381 4399.8 -43781 -43781 -0.13565 0.20168 0.06808 50767 2023-02-16 02:32:44,547 INFO [main.py:643]
{rank 0/100} MD step = 104300 step time: 00:00:00.020368 Performance: 315.674 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:32:45,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104300 10430 40.639 -39433 4454 -43887 -43887 -0.13502 0.20121 0.068635 50811 2023-02-16 02:32:47,179 INFO [main.py:643]
{rank 0/100} MD step = 104400 step time: 00:00:00.020521 Performance: 315.686 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:32:47,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104400 10440 39.84 -39501 4366.5 -43868 -43868 -0.1353 0.20195 0.069032 50876 2023-02-16 02:32:49,837 INFO [main.py:643]
{rank 0/100} MD step = 104500 step time: 00:00:00.020456 Performance: 315.695 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:32:50,547 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104500 10450 39.858 -39426 4368.5 -43795 -43795 -0.13391 0.20157 0.068566 50916 2023-02-16 02:32:52,590 INFO [main.py:643]
{rank 0/100} MD step = 104600 step time: 00:00:00.020424 Performance: 315.693 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:32:53,126 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104600 10460 40.542 -39324 4443.5 -43767 -43767 -0.13389 0.20275 0.067899 50983 2023-02-16 02:32:55,252 INFO [main.py:643]
{rank 0/100} MD step = 104700 step time: 00:00:00.020467 Performance: 315.701 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:32:55,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104700 10470 39.954 -39545 4379 -43924 -43924 -0.13276 0.20359 0.067413 51010 2023-02-16 02:32:57,960 INFO [main.py:643]
{rank 0/100} MD step = 104800 step time: 00:00:00.020441 Performance: 315.704 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:32:58,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104800 10480 40.264 -39422 4412.9 -43835 -43835 -0.13233 0.20348 0.067661 51063 2023-02-16 02:33:00,657 INFO [main.py:643]
{rank 0/100} MD step = 104900 step time: 00:00:00.020628 Performance: 315.709 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:33:01,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104900 10490 40.047 -39358 4389.2 -43747 -43747 -0.13266 0.20384 0.068061 51126 2023-02-16 02:33:03,331 INFO [main.py:643]
{rank 0/100} MD step = 105000 step time: 00:00:00.020543 Performance: 315.716 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:33:03,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105000 10500 40.103 -39410 4395.3 -43805 -43805 -0.13271 0.203 0.067799 51177 2023-02-16 02:33:06,009 INFO [main.py:643]
{rank 0/100} MD step = 105100 step time: 00:00:00.020437 Performance: 315.722 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:33:06,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105100 10510 39.891 -39405 4372.2 -43777 -43777 -0.13444 0.20331 0.06779 51230 2023-02-16 02:33:08,667 INFO [main.py:643]
{rank 0/100} MD step = 105200 step time: 00:00:00.020459 Performance: 315.731 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:33:09,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105200 10520 40.016 -39466 4385.8 -43852 -43852 -0.13464 0.20335 0.067661 51290 2023-02-16 02:33:11,336 INFO [main.py:643]
{rank 0/100} MD step = 105300 step time: 00:00:00.020397 Performance: 315.738 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:33:11,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105300 10530 40.801 -39376 4471.8 -43848 -43848 -0.13462 0.20372 0.069159 51331 2023-02-16 02:33:14,002 INFO [main.py:643]
{rank 0/100} MD step = 105400 step time: 00:00:00.020550 Performance: 315.746 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:33:14,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105400 10540 39.683 -39509 4349.3 -43858 -43858 -0.13386 0.20403 0.069166 51390 2023-02-16 02:33:16,684 INFO [main.py:643]
{rank 0/100} MD step = 105500 step time: 00:00:00.020551 Performance: 315.752 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:33:17,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105500 10550 40.056 -39445 4390.2 -43835 -43835 -0.13344 0.20409 0.06989 51432 2023-02-16 02:33:19,343 INFO [main.py:643]
{rank 0/100} MD step = 105600 step time: 00:00:00.020528 Performance: 315.760 ns/day 0.076 hours/ns 36.546 steps/s 2023-02-16 02:33:19,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105600 10560 40.424 -39373 4430.5 -43803 -43803 -0.13324 0.2041 0.07029 51488 2023-02-16 02:33:22,011 INFO [main.py:643]
{rank 0/100} MD step = 105700 step time: 00:00:00.020525 Performance: 315.768 ns/day 0.076 hours/ns 36.547 steps/s 2023-02-16 02:33:22,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105700 10570 39.291 -39488 4306.3 -43794 -43794 -0.13386 0.2038 0.070175 51530 2023-02-16 02:33:24,659 INFO [main.py:643]
{rank 0/100} MD step = 105800 step time: 00:00:00.020430 Performance: 315.777 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:33:25,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105800 10580 40.195 -39394 4405.5 -43799 -43799 -0.13313 0.20245 0.069785 51585 2023-02-16 02:33:27,389 INFO [main.py:643]
{rank 0/100} MD step = 105900 step time: 00:00:00.020453 Performance: 315.778 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:33:27,944 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105900 10590 39.962 -39483 4379.9 -43863 -43863 -0.1322 0.2034 0.069261 51633 2023-02-16 02:33:30,145 INFO [main.py:643]
{rank 0/100} MD step = 106000 step time: 00:00:00.020368 Performance: 315.776 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:33:30,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106000 10600 39.741 -39493 4355.6 -43849 -43849 -0.1311 0.20353 0.069794 51697 2023-02-16 02:33:32,847 INFO [main.py:643]
{rank 0/100} MD step = 106100 step time: 00:00:00.020504 Performance: 315.779 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:33:33,325 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106100 10610 40.073 -39475 4392 -43867 -43867 -0.13113 0.20374 0.069652 51732 2023-02-16 02:33:35,513 INFO [main.py:643]
{rank 0/100} MD step = 106200 step time: 00:00:00.020629 Performance: 315.787 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:33:36,173 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106200 10620 40.204 -39395 4406.4 -43801 -43801 -0.13054 0.20331 0.069413 51782 2023-02-16 02:33:38,209 INFO [main.py:643]
{rank 0/100} MD step = 106300 step time: 00:00:00.021898 Performance: 315.791 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:33:38,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106300 10630 39.769 -39415 4358.8 -43774 -43774 -0.13136 0.20378 0.070271 51829 2023-02-16 02:33:40,834 INFO [main.py:643]
{rank 0/100} MD step = 106400 step time: 00:00:00.020884 Performance: 315.803 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:33:41,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106400 10640 39.785 -39472 4360.4 -43832 -43832 -0.13097 0.20374 0.070023 51888 2023-02-16 02:33:43,545 INFO [main.py:643]
{rank 0/100} MD step = 106500 step time: 00:00:00.020368 Performance: 315.806 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:33:44,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106500 10650 41.109 -39379 4505.6 -43885 -43885 -0.13204 0.20344 0.070437 51930 2023-02-16 02:33:46,217 INFO [main.py:643]
{rank 0/100} MD step = 106600 step time: 00:00:00.020287 Performance: 315.813 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:33:46,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106600 10660 39.654 -39478 4346.1 -43825 -43825 -0.13022 0.20386 0.069661 51984 2023-02-16 02:33:48,889 INFO [main.py:643]
{rank 0/100} MD step = 106700 step time: 00:00:00.020408 Performance: 315.820 ns/day 0.076 hours/ns 36.553 steps/s 2023-02-16 02:33:49,519 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106700 10670 40.871 -39369 4479.5 -43848 -43848 -0.13221 0.20424 0.069656 52043 2023-02-16 02:33:51,551 INFO [main.py:643]
{rank 0/100} MD step = 106800 step time: 00:00:00.020384 Performance: 315.828 ns/day 0.076 hours/ns 36.554 steps/s 2023-02-16 02:33:52,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106800 10680 40.098 -39370 4394.8 -43765 -43765 -0.13176 0.20432 0.070356 52092 2023-02-16 02:33:54,231 INFO [main.py:643]
{rank 0/100} MD step = 106900 step time: 00:00:00.020316 Performance: 315.834 ns/day 0.076 hours/ns 36.555 steps/s 2023-02-16 02:33:54,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106900 10690 39.618 -39490 4342.2 -43832 -43832 -0.13235 0.20508 0.070185 52140 2023-02-16 02:33:56,906 INFO [main.py:643]
{rank 0/100} MD step = 107000 step time: 00:00:00.020397 Performance: 315.840 ns/day 0.076 hours/ns 36.556 steps/s 2023-02-16 02:33:57,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107000 10700 40.231 -39417 4409.4 -43826 -43826 -0.13269 0.2046 0.069547 52195 2023-02-16 02:33:59,568 INFO [main.py:643]
{rank 0/100} MD step = 107100 step time: 00:00:00.020366 Performance: 315.848 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:34:00,096 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107100 10710 40.399 -39469 4427.8 -43897 -43897 -0.13298 0.20401 0.06989 52240 2023-02-16 02:34:02,278 INFO [main.py:643]
{rank 0/100} MD step = 107200 step time: 00:00:00.020430 Performance: 315.851 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:34:02,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107200 10720 40.014 -39424 4385.6 -43809 -43809 -0.13236 0.2049 0.069852 52304 2023-02-16 02:34:04,987 INFO [main.py:643]
{rank 0/100} MD step = 107300 step time: 00:00:00.020494 Performance: 315.854 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:34:05,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107300 10730 39.563 -39431 4336.2 -43768 -43768 -0.13292 0.20524 0.070504 52345 2023-02-16 02:34:07,751 INFO [main.py:643]
{rank 0/100} MD step = 107400 step time: 00:00:00.020378 Performance: 315.851 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:34:08,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107400 10740 40.026 -39495 4386.9 -43882 -43882 -0.13268 0.20552 0.070647 52382 2023-02-16 02:34:10,477 INFO [main.py:643]
{rank 0/100} MD step = 107500 step time: 00:00:00.020383 Performance: 315.852 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:34:11,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107500 10750 40.192 -39462 4405.1 -43867 -43867 -0.13188 0.20582 0.070899 52434 2023-02-16 02:34:13,234 INFO [main.py:643]
{rank 0/100} MD step = 107600 step time: 00:00:00.020446 Performance: 315.850 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:34:13,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107600 10760 39.677 -39425 4348.6 -43773 -43773 -0.13252 0.20563 0.070442 52488 2023-02-16 02:34:15,914 INFO [main.py:643]
{rank 0/100} MD step = 107700 step time: 00:00:00.020512 Performance: 315.856 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:34:16,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107700 10770 40.046 -39458 4389.1 -43848 -43848 -0.13295 0.20597 0.072066 52521 2023-02-16 02:34:18,606 INFO [main.py:643]
{rank 0/100} MD step = 107800 step time: 00:00:00.020379 Performance: 315.860 ns/day 0.076 hours/ns 36.558 steps/s 2023-02-16 02:34:19,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107800 10780 40.729 -39392 4463.9 -43856 -43856 -0.1333 0.20721 0.07228 52594 2023-02-16 02:34:21,265 INFO [main.py:643]
{rank 0/100} MD step = 107900 step time: 00:00:00.020349 Performance: 315.868 ns/day 0.076 hours/ns 36.559 steps/s 2023-02-16 02:34:21,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107900 10790 39.503 -39545 4329.5 -43875 -43875 -0.13435 0.20717 0.072142 52647 2023-02-16 02:34:23,992 INFO [main.py:643]
{rank 0/100} MD step = 108000 step time: 00:00:00.020473 Performance: 315.869 ns/day 0.076 hours/ns 36.559 steps/s 2023-02-16 02:34:24,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108000 10800 39.815 -39422 4363.8 -43785 -43785 -0.13614 0.20772 0.072556 52686 2023-02-16 02:34:26,764 INFO [main.py:643]
{rank 0/100} MD step = 108100 step time: 00:00:00.020322 Performance: 315.865 ns/day 0.076 hours/ns 36.558 steps/s 2023-02-16 02:34:27,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108100 10810 39.423 -39513 4320.8 -43834 -43834 -0.13651 0.2085 0.071042 52726 2023-02-16 02:34:29,475 INFO [main.py:643]
{rank 0/100} MD step = 108200 step time: 00:00:00.020348 Performance: 315.868 ns/day 0.076 hours/ns 36.559 steps/s 2023-02-16 02:34:29,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108200 10820 40.189 -39452 4404.7 -43857 -43857 -0.13573 0.20859 0.071699 52777 2023-02-16 02:34:32,158 INFO [main.py:643]
{rank 0/100} MD step = 108300 step time: 00:00:00.020286 Performance: 315.874 ns/day 0.076 hours/ns 36.559 steps/s 2023-02-16 02:34:32,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108300 10830 40.743 -39310 4465.4 -43776 -43776 -0.13536 0.20875 0.071833 52827 2023-02-16 02:34:34,815 INFO [main.py:643]
{rank 0/100} MD step = 108400 step time: 00:00:00.020372 Performance: 315.882 ns/day 0.076 hours/ns 36.560 steps/s 2023-02-16 02:34:35,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108400 10840 40.017 -39443 4385.9 -43829 -43829 -0.13719 0.20761 0.072747 52869 2023-02-16 02:34:37,518 INFO [main.py:643]
{rank 0/100} MD step = 108500 step time: 00:00:00.020389 Performance: 315.885 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:34:38,095 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108500 10850 39.905 -39415 4373.6 -43789 -43789 -0.13915 0.20773 0.073109 52911 2023-02-16 02:34:40,198 INFO [main.py:643]
{rank 0/100} MD step = 108600 step time: 00:00:00.020544 Performance: 315.891 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:34:40,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108600 10860 39.863 -39561 4369.1 -43930 -43930 -0.14092 0.20738 0.07414 52956 2023-02-16 02:34:42,980 INFO [main.py:643]
{rank 0/100} MD step = 108700 step time: 00:00:00.020369 Performance: 315.886 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:34:43,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108700 10870 40.212 -39423 4407.3 -43830 -43830 -0.14006 0.20812 0.07349 53013 2023-02-16 02:34:45,588 INFO [main.py:643]
{rank 0/100} MD step = 108800 step time: 00:00:00.020459 Performance: 315.900 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:34:46,005 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108800 10880 40.214 -39476 4407.5 -43884 -43884 -0.14028 0.209 0.073909 53065 2023-02-16 02:34:48,293 INFO [main.py:643]
{rank 0/100} MD step = 108900 step time: 00:00:00.021688 Performance: 315.903 ns/day 0.076 hours/ns 36.563 steps/s 2023-02-16 02:34:48,884 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108900 10890 39.314 -39515 4308.9 -43824 -43824 -0.14066 0.20812 0.073357 53096 2023-02-16 02:34:50,948 INFO [main.py:643]
{rank 0/100} MD step = 109000 step time: 00:00:00.020328 Performance: 315.911 ns/day 0.076 hours/ns 36.564 steps/s 2023-02-16 02:34:51,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109000 10900 39.167 -39543 4292.7 -43836 -43836 -0.1417 0.20783 0.072595 53160 2023-02-16 02:34:53,761 INFO [main.py:643]
{rank 0/100} MD step = 109100 step time: 00:00:00.020356 Performance: 315.903 ns/day 0.076 hours/ns 36.563 steps/s 2023-02-16 02:34:54,295 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109100 10910 39.941 -39389 4377.5 -43766 -43766 -0.14347 0.20814 0.072776 53204 2023-02-16 02:34:56,450 INFO [main.py:643]
{rank 0/100} MD step = 109200 step time: 00:00:00.020444 Performance: 315.908 ns/day 0.076 hours/ns 36.563 steps/s 2023-02-16 02:34:57,130 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109200 10920 40.188 -39411 4404.6 -43815 -43815 -0.14431 0.20851 0.072576 53264 2023-02-16 02:34:59,171 INFO [main.py:643]
{rank 0/100} MD step = 109300 step time: 00:00:00.020538 Performance: 315.909 ns/day 0.076 hours/ns 36.564 steps/s 2023-02-16 02:34:59,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109300 10930 39.548 -39414 4334.5 -43749 -43749 -0.14391 0.20912 0.071585 53294 2023-02-16 02:35:01,816 INFO [main.py:643]
{rank 0/100} MD step = 109400 step time: 00:00:00.020295 Performance: 315.919 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:35:02,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109400 10940 39.557 -39530 4335.5 -43865 -43865 -0.14475 0.20905 0.071871 53341 2023-02-16 02:35:04,487 INFO [main.py:643]
{rank 0/100} MD step = 109500 step time: 00:00:00.020372 Performance: 315.926 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:35:04,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109500 10950 39.571 -39610 4337 -43947 -43947 -0.14441 0.20928 0.071347 53384 2023-02-16 02:35:07,152 INFO [main.py:643]
{rank 0/100} MD step = 109600 step time: 00:00:00.020349 Performance: 315.933 ns/day 0.076 hours/ns 36.566 steps/s 2023-02-16 02:35:07,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109600 10960 40.48 -39431 4436.7 -43868 -43868 -0.14491 0.20938 0.071166 53442 2023-02-16 02:35:09,840 INFO [main.py:643]
{rank 0/100} MD step = 109700 step time: 00:00:00.020356 Performance: 315.938 ns/day 0.076 hours/ns 36.567 steps/s 2023-02-16 02:35:10,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109700 10970 39.956 -39478 4379.2 -43857 -43857 -0.14435 0.21012 0.070785 53494 2023-02-16 02:35:12,501 INFO [main.py:643]
{rank 0/100} MD step = 109800 step time: 00:00:00.020486 Performance: 315.946 ns/day 0.076 hours/ns 36.568 steps/s 2023-02-16 02:35:12,896 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109800 10980 40.132 -39407 4398.5 -43806 -43806 -0.14336 0.21033 0.070194 53542 2023-02-16 02:35:15,231 INFO [main.py:643]
{rank 0/100} MD step = 109900 step time: 00:00:00.020483 Performance: 315.946 ns/day 0.076 hours/ns 36.568 steps/s 2023-02-16 02:35:16,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109900 10990 40.126 -39373 4397.8 -43771 -43771 -0.14128 0.20945 0.070366 53600 2023-02-16 02:35:18,434 INFO [main.py:643]
{rank 0/100} MD step = 110000 step time: 00:00:00.020422 Performance: 315.897 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:35:19,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110000 11000 39.8 -39421 4362.2 -43783 -43783 -0.1405 0.20986 0.071337 53666 2023-02-16 02:35:21,103 INFO [main.py:643]
{rank 0/100} MD step = 110100 step time: 00:00:00.020288 Performance: 315.904 ns/day 0.076 hours/ns 36.563 steps/s 2023-02-16 02:35:21,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110100 11010 39.943 -39450 4377.8 -43828 -43828 -0.13913 0.21095 0.071152 53715 2023-02-16 02:35:23,879 INFO [main.py:643]
{rank 0/100} MD step = 110200 step time: 00:00:00.020429 Performance: 315.900 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:35:24,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110200 11020 40.076 -39450 4392.4 -43842 -43842 -0.1386 0.21171 0.071261 53770 2023-02-16 02:35:26,632 INFO [main.py:643]
{rank 0/100} MD step = 110300 step time: 00:00:00.020437 Performance: 315.898 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:35:27,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110300 11030 40.311 -39527 4418.1 -43945 -43945 -0.13793 0.21198 0.07109 53810 2023-02-16 02:35:29,353 INFO [main.py:643]
{rank 0/100} MD step = 110400 step time: 00:00:00.020433 Performance: 315.899 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:35:30,041 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110400 11040 39.727 -39483 4354.1 -43837 -43837 -0.13845 0.21267 0.070623 53870 2023-02-16 02:35:32,140 INFO [main.py:643]
{rank 0/100} MD step = 110500 step time: 00:00:00.020399 Performance: 315.894 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:35:32,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110500 11050 39.744 -39541 4356 -43897 -43897 -0.13929 0.21321 0.071166 53913 2023-02-16 02:35:34,946 INFO [main.py:643]
{rank 0/100} MD step = 110600 step time: 00:00:00.020792 Performance: 315.886 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:35:35,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110600 11060 40.377 -39349 4425.4 -43774 -43774 -0.13875 0.21422 0.070823 53955 2023-02-16 02:35:37,928 INFO [main.py:643]
{rank 0/100} MD step = 110700 step time: 00:00:00.020481 Performance: 315.861 ns/day 0.076 hours/ns 36.558 steps/s 2023-02-16 02:35:38,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110700 11070 39.959 -39462 4379.5 -43842 -43842 -0.13665 0.214 0.070994 54000 2023-02-16 02:35:40,738 INFO [main.py:643]
{rank 0/100} MD step = 110800 step time: 00:00:00.020507 Performance: 315.853 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:35:41,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110800 11080 39.48 -39522 4327 -43849 -43849 -0.13705 0.21495 0.070518 54051 2023-02-16 02:35:43,618 INFO [main.py:643]
{rank 0/100} MD step = 110900 step time: 00:00:00.020430 Performance: 315.838 ns/day 0.076 hours/ns 36.555 steps/s 2023-02-16 02:35:44,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110900 11090 40.19 -39375 4404.8 -43780 -43780 -0.13811 0.21559 0.071471 54101 2023-02-16 02:35:46,388 INFO [main.py:643]
{rank 0/100} MD step = 111000 step time: 00:00:00.020357 Performance: 315.834 ns/day 0.076 hours/ns 36.555 steps/s 2023-02-16 02:35:47,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111000 11100 39.691 -39488 4350.2 -43839 -43839 -0.13818 0.21665 0.072175 54154 2023-02-16 02:35:49,081 INFO [main.py:643]
{rank 0/100} MD step = 111100 step time: 00:00:00.020484 Performance: 315.839 ns/day 0.076 hours/ns 36.555 steps/s 2023-02-16 02:35:51,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111100 11110 39.997 -39486 4383.7 -43870 -43870 -0.13647 0.21664 0.072175 54203 2023-02-16 02:35:53,778 INFO [main.py:643]
{rank 0/100} MD step = 111200 step time: 00:00:00.020439 Performance: 315.635 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:35:54,441 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111200 11120 39.867 -39428 4369.5 -43797 -43797 -0.13791 0.21666 0.072899 54259 2023-02-16 02:35:56,466 INFO [main.py:643]
{rank 0/100} MD step = 111300 step time: 00:00:00.020472 Performance: 315.640 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:35:57,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111300 11130 39.594 -39457 4339.5 -43797 -43797 -0.1397 0.21706 0.073376 54313 2023-02-16 02:35:59,169 INFO [main.py:643]
{rank 0/100} MD step = 111400 step time: 00:00:00.020443 Performance: 315.644 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:36:00,507 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111400 11140 39.436 -39588 4322.2 -43911 -43911 -0.14054 0.21784 0.072899 54352 2023-02-16 02:36:02,555 INFO [main.py:643]
{rank 0/100} MD step = 111500 step time: 00:00:00.020358 Performance: 315.577 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:36:02,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111500 11150 40.114 -39411 4396.6 -43808 -43808 -0.14066 0.21814 0.071292 54397 2023-02-16 02:36:05,270 INFO [main.py:643]
{rank 0/100} MD step = 111600 step time: 00:00:00.020210 Performance: 315.579 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:36:06,008 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111600 11160 39.742 -39466 4355.8 -43821 -43821 -0.13942 0.21812 0.071604 54459 2023-02-16 02:36:08,052 INFO [main.py:643]
{rank 0/100} MD step = 111700 step time: 00:00:00.020371 Performance: 315.575 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:36:08,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111700 11170 39.572 -39551 4337.2 -43888 -43888 -0.1381 0.2178 0.072537 54495 2023-02-16 02:36:10,737 INFO [main.py:643]
{rank 0/100} MD step = 111800 step time: 00:00:00.020541 Performance: 315.580 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:36:11,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111800 11180 40.241 -39372 4410.5 -43783 -43783 -0.13785 0.21806 0.07318 54545 2023-02-16 02:36:14,023 INFO [main.py:643]
{rank 0/100} MD step = 111900 step time: 00:00:00.020386 Performance: 315.524 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:36:14,698 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111900 11190 40.208 -39434 4406.8 -43841 -43841 -0.13652 0.21953 0.072404 54593 2023-02-16 02:36:16,742 INFO [main.py:643]
{rank 0/100} MD step = 112000 step time: 00:00:00.020432 Performance: 315.525 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:36:17,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112000 11200 39.686 -39531 4349.6 -43881 -43881 -0.13603 0.21968 0.072547 54635 2023-02-16 02:36:19,511 INFO [main.py:643]
{rank 0/100} MD step = 112100 step time: 00:00:00.020428 Performance: 315.522 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:36:20,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112100 11210 39.311 -39474 4308.5 -43783 -43783 -0.13713 0.21853 0.072147 54661 2023-02-16 02:36:22,203 INFO [main.py:643]
{rank 0/100} MD step = 112200 step time: 00:00:00.020432 Performance: 315.527 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:36:22,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112200 11220 39.72 -39484 4353.4 -43837 -43837 -0.13704 0.21868 0.072614 54721 2023-02-16 02:36:24,884 INFO [main.py:643]
{rank 0/100} MD step = 112300 step time: 00:00:00.020459 Performance: 315.533 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:36:25,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112300 11230 39.941 -39517 4377.6 -43894 -43894 -0.13848 0.21895 0.073357 54772 2023-02-16 02:36:27,599 INFO [main.py:643]
{rank 0/100} MD step = 112400 step time: 00:00:00.020411 Performance: 315.535 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:36:28,104 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112400 11240 39.895 -39464 4372.5 -43836 -43836 -0.13954 0.21916 0.072833 54826 2023-02-16 02:36:30,279 INFO [main.py:643]
{rank 0/100} MD step = 112500 step time: 00:00:00.020376 Performance: 315.541 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:36:30,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112500 11250 40.049 -39483 4389.4 -43872 -43872 -0.13846 0.21931 0.072699 54871 2023-02-16 02:36:33,044 INFO [main.py:643]
{rank 0/100} MD step = 112600 step time: 00:00:00.020400 Performance: 315.539 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:36:33,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112600 11260 40.372 -39390 4424.8 -43814 -43814 -0.13814 0.21964 0.072804 54930 2023-02-16 02:36:35,670 INFO [main.py:643]
{rank 0/100} MD step = 112700 step time: 00:00:00.020400 Performance: 315.550 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:36:36,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112700 11270 40.22 -39541 4408.2 -43949 -43949 -0.13896 0.22003 0.074299 54970 2023-02-16 02:36:38,413 INFO [main.py:643]
{rank 0/100} MD step = 112800 step time: 00:00:00.020447 Performance: 315.550 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:36:38,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112800 11280 39.966 -39579 4380.3 -43959 -43959 -0.13903 0.21975 0.074321 55016 2023-02-16 02:36:41,122 INFO [main.py:643]
{rank 0/100} MD step = 112900 step time: 00:00:00.020416 Performance: 315.553 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:36:41,770 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112900 11290 40.04 -39430 4388.5 -43818 -43818 -0.13738 0.22108 0.074576 55081 2023-02-16 02:36:43,799 INFO [main.py:643]
{rank 0/100} MD step = 113000 step time: 00:00:00.020322 Performance: 315.559 ns/day 0.076 hours/ns 36.523 steps/s 2023-02-16 02:36:44,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113000 11300 40.153 -39443 4400.9 -43843 -43843 -0.13855 0.22119 0.075109 55132 2023-02-16 02:36:46,502 INFO [main.py:643]
{rank 0/100} MD step = 113100 step time: 00:00:00.020394 Performance: 315.562 ns/day 0.076 hours/ns 36.523 steps/s 2023-02-16 02:36:47,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113100 11310 39.937 -39483 4377.2 -43860 -43860 -0.13873 0.2223 0.07448 55173 2023-02-16 02:36:49,217 INFO [main.py:643]
{rank 0/100} MD step = 113200 step time: 00:00:00.020488 Performance: 315.565 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:36:49,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113200 11320 39.764 -39445 4358.2 -43803 -43803 -0.13944 0.22288 0.074659 55222 2023-02-16 02:36:51,983 INFO [main.py:643]
{rank 0/100} MD step = 113300 step time: 00:00:00.020427 Performance: 315.562 ns/day 0.076 hours/ns 36.523 steps/s 2023-02-16 02:36:52,375 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113300 11330 40.303 -39412 4417.2 -43829 -43829 -0.13938 0.22355 0.074164 55263 2023-02-16 02:36:54,651 INFO [main.py:643]
{rank 0/100} MD step = 113400 step time: 00:00:00.020518 Performance: 315.569 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:36:55,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113400 11340 40.13 -39485 4398.3 -43883 -43883 -0.1391 0.22441 0.073642 55310 2023-02-16 02:36:57,359 INFO [main.py:643]
{rank 0/100} MD step = 113500 step time: 00:00:00.020474 Performance: 315.572 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:36:57,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113500 11350 39.625 -39511 4343 -43854 -43854 -0.14046 0.22476 0.073316 55378 2023-02-16 02:37:00,032 INFO [main.py:643]
{rank 0/100} MD step = 113600 step time: 00:00:00.020408 Performance: 315.579 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:37:00,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113600 11360 40.565 -39433 4446 -43879 -43879 -0.14048 0.22498 0.073452 55406 2023-02-16 02:37:02,703 INFO [main.py:643]
{rank 0/100} MD step = 113700 step time: 00:00:00.020480 Performance: 315.585 ns/day 0.076 hours/ns 36.526 steps/s 2023-02-16 02:37:03,045 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113700 11370 40.394 -39421 4427.2 -43848 -43848 -0.13952 0.22493 0.073711 55457 2023-02-16 02:37:05,315 INFO [main.py:643]
{rank 0/100} MD step = 113800 step time: 00:00:00.020477 Performance: 315.598 ns/day 0.076 hours/ns 36.528 steps/s 2023-02-16 02:37:05,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113800 11380 39.563 -39441 4336.1 -43778 -43778 -0.13913 0.22399 0.074676 55506 2023-02-16 02:37:07,971 INFO [main.py:643]
{rank 0/100} MD step = 113900 step time: 00:00:00.020517 Performance: 315.606 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:37:08,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113900 11390 40.604 -39320 4450.2 -43770 -43770 -0.13951 0.22447 0.075661 55555 2023-02-16 02:37:10,667 INFO [main.py:643]
{rank 0/100} MD step = 114000 step time: 00:00:00.020469 Performance: 315.610 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:37:11,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114000 11400 40.449 -39396 4433.2 -43829 -43829 -0.13988 0.22552 0.076157 55591 2023-02-16 02:37:13,376 INFO [main.py:643]
{rank 0/100} MD step = 114100 step time: 00:00:00.020553 Performance: 315.613 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:37:14,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114100 11410 40.129 -39479 4398.1 -43877 -43877 -0.13951 0.22511 0.075642 55637 2023-02-16 02:37:16,068 INFO [main.py:643]
{rank 0/100} MD step = 114200 step time: 00:00:00.020351 Performance: 315.618 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:37:16,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114200 11420 40.479 -39384 4436.6 -43820 -43820 -0.14096 0.22512 0.07589 55684 2023-02-16 02:37:18,794 INFO [main.py:643]
{rank 0/100} MD step = 114300 step time: 00:00:00.020550 Performance: 315.619 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:37:19,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114300 11430 39.947 -39529 4378.2 -43907 -43907 -0.14007 0.22572 0.075352 55728 2023-02-16 02:37:21,631 INFO [main.py:643]
{rank 0/100} MD step = 114400 step time: 00:00:00.020383 Performance: 315.609 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:37:22,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114400 11440 40.573 -39392 4446.9 -43839 -43839 -0.14075 0.22629 0.074747 55782 2023-02-16 02:37:24,338 INFO [main.py:643]
{rank 0/100} MD step = 114500 step time: 00:00:00.020480 Performance: 315.612 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:37:24,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114500 11450 39.563 -39487 4336.1 -43823 -43823 -0.14145 0.22645 0.075214 55840 2023-02-16 02:37:27,026 INFO [main.py:643]
{rank 0/100} MD step = 114600 step time: 00:00:00.020404 Performance: 315.617 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:37:27,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114600 11460 40.156 -39431 4401.2 -43833 -43833 -0.14226 0.22783 0.074919 55886 2023-02-16 02:37:29,697 INFO [main.py:643]
{rank 0/100} MD step = 114700 step time: 00:00:00.020469 Performance: 315.624 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:37:30,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114700 11470 40.208 -39432 4406.8 -43839 -43839 -0.1413 0.22828 0.074614 55936 2023-02-16 02:37:32,323 INFO [main.py:643]
{rank 0/100} MD step = 114800 step time: 00:00:00.020400 Performance: 315.635 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:37:32,992 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114800 11480 40.928 -39350 4485.8 -43836 -43836 -0.1414 0.22797 0.075661 56002 2023-02-16 02:37:35,022 INFO [main.py:643]
{rank 0/100} MD step = 114900 step time: 00:00:00.020437 Performance: 315.639 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:37:35,707 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114900 11490 40.734 -39385 4464.6 -43850 -43850 -0.14158 0.22864 0.075604 56041 2023-02-16 02:37:37,732 INFO [main.py:643]
{rank 0/100} MD step = 115000 step time: 00:00:00.020477 Performance: 315.642 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:37:38,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115000 11500 39.816 -39484 4363.8 -43848 -43848 -0.14219 0.22941 0.076028 56092 2023-02-16 02:37:40,355 INFO [main.py:643]
{rank 0/100} MD step = 115100 step time: 00:00:00.020530 Performance: 315.653 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:37:40,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115100 11510 40.255 -39437 4412 -43849 -43849 -0.14365 0.22973 0.0761 56148 2023-02-16 02:37:42,978 INFO [main.py:643]
{rank 0/100} MD step = 115200 step time: 00:00:00.020401 Performance: 315.665 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:37:43,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115200 11520 40.142 -39464 4399.7 -43864 -43864 -0.14448 0.23051 0.076211 56198 2023-02-16 02:37:45,794 INFO [main.py:643]
{rank 0/100} MD step = 115300 step time: 00:00:00.020505 Performance: 315.657 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:37:46,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115300 11530 39.611 -39527 4341.5 -43868 -43868 -0.14591 0.23023 0.076442 56244 2023-02-16 02:37:48,439 INFO [main.py:643]
{rank 0/100} MD step = 115400 step time: 00:00:00.020476 Performance: 315.666 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:37:49,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115400 11540 39.744 -39329 4356 -43686 -43686 -0.14568 0.23074 0.07629 56307 2023-02-16 02:37:51,151 INFO [main.py:643]
{rank 0/100} MD step = 115500 step time: 00:00:00.020409 Performance: 315.668 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:37:51,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115500 11550 40.162 -39477 4401.8 -43879 -43879 -0.14753 0.23111 0.076004 56343 2023-02-16 02:37:53,783 INFO [main.py:643]
{rank 0/100} MD step = 115600 step time: 00:00:00.020359 Performance: 315.679 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:37:54,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115600 11560 40.748 -39356 4466 -43822 -43822 -0.14778 0.23178 0.07628 56395 2023-02-16 02:37:56,490 INFO [main.py:643]
{rank 0/100} MD step = 115700 step time: 00:00:00.020501 Performance: 315.682 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:37:57,216 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115700 11570 40.089 -39388 4393.8 -43782 -43782 -0.14856 0.23135 0.076052 56445 2023-02-16 02:37:59,264 INFO [main.py:643]
{rank 0/100} MD step = 115800 step time: 00:00:00.020463 Performance: 315.678 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:37:59,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115800 11580 40.23 -39361 4409.2 -43770 -43770 -0.14826 0.23137 0.076404 56497 2023-02-16 02:38:01,880 INFO [main.py:643]
{rank 0/100} MD step = 115900 step time: 00:00:00.020377 Performance: 315.690 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:38:02,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115900 11590 40.431 -39395 4431.2 -43826 -43826 -0.15005 0.23163 0.076228 56547 2023-02-16 02:38:04,541 INFO [main.py:643]
{rank 0/100} MD step = 116000 step time: 00:00:00.020436 Performance: 315.698 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:38:05,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116000 11600 40.311 -39390 4418.1 -43808 -43808 -0.14988 0.23194 0.076557 56600 2023-02-16 02:38:07,235 INFO [main.py:643]
{rank 0/100} MD step = 116100 step time: 00:00:00.020925 Performance: 315.702 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:38:07,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116100 11610 39.546 -39582 4334.3 -43917 -43917 -0.15037 0.23271 0.076028 56630 2023-02-16 02:38:09,940 INFO [main.py:643]
{rank 0/100} MD step = 116200 step time: 00:00:00.020312 Performance: 315.705 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:38:10,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116200 11620 39.719 -39486 4353.3 -43839 -43839 -0.14916 0.23316 0.075404 56669 2023-02-16 02:38:12,719 INFO [main.py:643]
{rank 0/100} MD step = 116300 step time: 00:00:00.020491 Performance: 315.701 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:38:13,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116300 11630 39.982 -39449 4382.1 -43831 -43831 -0.1498 0.23308 0.076128 56723 2023-02-16 02:38:15,401 INFO [main.py:643]
{rank 0/100} MD step = 116400 step time: 00:00:00.020460 Performance: 315.706 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:38:15,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116400 11640 39.82 -39527 4364.3 -43891 -43891 -0.15127 0.2334 0.07611 56776 2023-02-16 02:38:18,110 INFO [main.py:643]
{rank 0/100} MD step = 116500 step time: 00:00:00.020572 Performance: 315.709 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:38:18,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116500 11650 39.847 -39448 4367.3 -43815 -43815 -0.1514 0.2327 0.076576 56821 2023-02-16 02:38:20,834 INFO [main.py:643]
{rank 0/100} MD step = 116600 step time: 00:00:00.020362 Performance: 315.710 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:38:21,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116600 11660 40.084 -39425 4393.3 -43818 -43818 -0.15224 0.23365 0.076919 56873 2023-02-16 02:38:23,473 INFO [main.py:643]
{rank 0/100} MD step = 116700 step time: 00:00:00.020411 Performance: 315.720 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:38:23,844 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116700 11670 39.521 -39489 4331.5 -43821 -43821 -0.15214 0.23432 0.076681 56925 2023-02-16 02:38:26,122 INFO [main.py:643]
{rank 0/100} MD step = 116800 step time: 00:00:00.020385 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:38:26,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116800 11680 39.476 -39569 4326.6 -43896 -43896 -0.15088 0.23364 0.077662 56965 2023-02-16 02:38:28,908 INFO [main.py:643]
{rank 0/100} MD step = 116900 step time: 00:00:00.020399 Performance: 315.724 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:38:29,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116900 11690 39.894 -39457 4372.4 -43830 -43830 -0.15235 0.23394 0.077623 57011 2023-02-16 02:38:31,595 INFO [main.py:643]
{rank 0/100} MD step = 117000 step time: 00:00:00.020366 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:38:32,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117000 11700 39.823 -39524 4364.6 -43889 -43889 -0.15085 0.23367 0.077947 57053 2023-02-16 02:38:34,256 INFO [main.py:643]
{rank 0/100} MD step = 117100 step time: 00:00:00.020370 Performance: 315.736 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:38:34,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117100 11710 40.46 -39406 4434.4 -43840 -43840 -0.14924 0.23428 0.077385 57104 2023-02-16 02:38:36,894 INFO [main.py:643]
{rank 0/100} MD step = 117200 step time: 00:00:00.020396 Performance: 315.746 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:38:37,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117200 11720 39.738 -39455 4355.3 -43811 -43811 -0.14874 0.23406 0.077871 57146 2023-02-16 02:38:39,658 INFO [main.py:643]
{rank 0/100} MD step = 117300 step time: 00:00:00.020416 Performance: 315.743 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:38:40,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117300 11730 40.072 -39443 4391.9 -43835 -43835 -0.14869 0.23494 0.077452 57210 2023-02-16 02:38:42,311 INFO [main.py:643]
{rank 0/100} MD step = 117400 step time: 00:00:00.020573 Performance: 315.751 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:38:43,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117400 11740 40.529 -39369 4442 -43811 -43811 -0.14915 0.23445 0.076881 57244 2023-02-16 02:38:45,063 INFO [main.py:643]
{rank 0/100} MD step = 117500 step time: 00:00:00.020288 Performance: 315.750 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:38:45,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117500 11750 39.813 -39521 4363.5 -43884 -43884 -0.14899 0.23558 0.077185 57291 2023-02-16 02:38:47,785 INFO [main.py:643]
{rank 0/100} MD step = 117600 step time: 00:00:00.020427 Performance: 315.751 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:38:48,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117600 11760 39.77 -39362 4358.8 -43721 -43721 -0.14752 0.23546 0.076814 57340 2023-02-16 02:38:50,466 INFO [main.py:643]
{rank 0/100} MD step = 117700 step time: 00:00:00.020356 Performance: 315.757 ns/day 0.076 hours/ns 36.546 steps/s 2023-02-16 02:38:51,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117700 11770 40.237 -39302 4410 -43713 -43713 -0.14791 0.23519 0.077204 57370 2023-02-16 02:38:53,133 INFO [main.py:643]
{rank 0/100} MD step = 117800 step time: 00:00:00.020398 Performance: 315.763 ns/day 0.076 hours/ns 36.547 steps/s 2023-02-16 02:38:53,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117800 11780 40.108 -39420 4395.9 -43816 -43816 -0.14793 0.23529 0.077395 57429 2023-02-16 02:38:55,804 INFO [main.py:643]
{rank 0/100} MD step = 117900 step time: 00:00:00.020389 Performance: 315.770 ns/day 0.076 hours/ns 36.547 steps/s 2023-02-16 02:38:56,482 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117900 11790 40.466 -39402 4435.1 -43837 -43837 -0.14725 0.2358 0.077261 57477 2023-02-16 02:38:58,528 INFO [main.py:643]
{rank 0/100} MD step = 118000 step time: 00:00:00.020537 Performance: 315.771 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:38:59,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118000 11800 39.93 -39502 4376.3 -43878 -43878 -0.14751 0.23613 0.077385 57524 2023-02-16 02:39:01,221 INFO [main.py:643]
{rank 0/100} MD step = 118100 step time: 00:00:00.020349 Performance: 315.775 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:39:01,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118100 11810 40.33 -39407 4420.2 -43827 -43827 -0.1465 0.23625 0.078347 57582 2023-02-16 02:39:03,842 INFO [main.py:643]
{rank 0/100} MD step = 118200 step time: 00:00:00.020516 Performance: 315.786 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:39:05,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118200 11820 39.863 -39439 4369.1 -43808 -43808 -0.14643 0.23641 0.080433 57633 2023-02-16 02:39:07,299 INFO [main.py:643]
{rank 0/100} MD step = 118300 step time: 00:00:00.020448 Performance: 315.716 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:39:07,865 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118300 11830 39.54 -39509 4333.6 -43842 -43842 -0.14816 0.23738 0.080081 57674 2023-02-16 02:39:09,996 INFO [main.py:643]
{rank 0/100} MD step = 118400 step time: 00:00:00.020511 Performance: 315.720 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:39:10,677 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118400 11840 39.998 -39382 4383.9 -43766 -43766 -0.14889 0.23733 0.078728 57725 2023-02-16 02:39:12,721 INFO [main.py:643]
{rank 0/100} MD step = 118500 step time: 00:00:00.020442 Performance: 315.721 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:39:13,277 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118500 11850 39.767 -39543 4358.6 -43902 -43902 -0.15039 0.23666 0.078785 57764 2023-02-16 02:39:15,378 INFO [main.py:643]
{rank 0/100} MD step = 118600 step time: 00:00:00.020438 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:39:15,907 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118600 11860 39.982 -39416 4382 -43798 -43798 -0.15178 0.23649 0.079109 57834 2023-02-16 02:39:18,029 INFO [main.py:643]
{rank 0/100} MD step = 118700 step time: 00:00:00.020420 Performance: 315.737 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:39:18,682 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118700 11870 39.31 -39537 4308.5 -43846 -43846 -0.15135 0.23688 0.079033 57883 2023-02-16 02:39:20,715 INFO [main.py:643]
{rank 0/100} MD step = 118800 step time: 00:00:00.020392 Performance: 315.742 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:39:21,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118800 11880 39.736 -39549 4355.2 -43904 -43904 -0.1507 0.23696 0.07869 57924 2023-02-16 02:39:23,509 INFO [main.py:643]
{rank 0/100} MD step = 118900 step time: 00:00:00.020509 Performance: 315.736 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:39:24,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118900 11890 39.654 -39475 4346.2 -43821 -43821 -0.15148 0.23725 0.078633 57980 2023-02-16 02:39:26,234 INFO [main.py:643]
{rank 0/100} MD step = 119000 step time: 00:00:00.020448 Performance: 315.738 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:39:27,131 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119000 11900 39.951 -39450 4378.7 -43828 -43828 -0.15146 0.23711 0.079266 58043 2023-02-16 02:39:29,311 INFO [main.py:643]
{rank 0/100} MD step = 119100 step time: 00:00:00.020355 Performance: 315.705 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:39:30,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119100 11910 39.84 -39420 4366.6 -43786 -43786 -0.15238 0.23678 0.078366 58096 2023-02-16 02:39:32,525 INFO [main.py:643]
{rank 0/100} MD step = 119200 step time: 00:00:00.020407 Performance: 315.658 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:39:33,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119200 11920 39.479 -39541 4327 -43868 -43868 -0.15194 0.23769 0.077109 58136 2023-02-16 02:39:35,293 INFO [main.py:643]
{rank 0/100} MD step = 119300 step time: 00:00:00.020386 Performance: 315.655 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:39:35,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119300 11930 39.731 -39527 4354.6 -43881 -43881 -0.15241 0.23784 0.077395 58189 2023-02-16 02:39:37,979 INFO [main.py:643]
{rank 0/100} MD step = 119400 step time: 00:00:00.020520 Performance: 315.660 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:39:38,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119400 11940 39.955 -39412 4379.2 -43791 -43791 -0.15201 0.23729 0.078252 58262 2023-02-16 02:39:40,670 INFO [main.py:643]
{rank 0/100} MD step = 119500 step time: 00:00:00.020371 Performance: 315.665 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:39:41,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119500 11950 39.568 -39423 4336.7 -43760 -43760 -0.15328 0.23678 0.078004 58297 2023-02-16 02:39:43,305 INFO [main.py:643]
{rank 0/100} MD step = 119600 step time: 00:00:00.020632 Performance: 315.675 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:39:43,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119600 11960 39.82 -39492 4364.3 -43856 -43856 -0.15405 0.2366 0.077504 58335 2023-02-16 02:39:46,011 INFO [main.py:643]
{rank 0/100} MD step = 119700 step time: 00:00:00.020397 Performance: 315.678 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:39:46,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119700 11970 40.233 -39448 4409.6 -43858 -43858 -0.15516 0.23643 0.076842 58407 2023-02-16 02:39:48,674 INFO [main.py:643]
{rank 0/100} MD step = 119800 step time: 00:00:00.020332 Performance: 315.685 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:39:49,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119800 11980 40.144 -39405 4399.8 -43805 -43805 -0.15638 0.23634 0.077728 58457 2023-02-16 02:39:51,386 INFO [main.py:643]
{rank 0/100} MD step = 119900 step time: 00:00:00.020568 Performance: 315.687 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:39:51,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119900 11990 40.007 -39455 4384.9 -43840 -43840 -0.15688 0.23639 0.078352 58506 2023-02-16 02:39:54,045 INFO [main.py:643]
{rank 0/100} MD step = 120000 step time: 00:00:00.020423 Performance: 315.695 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:39:54,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120000 12000 40.054 -39457 4390 -43847 -43847 -0.15744 0.23615 0.0781 58562 2023-02-16 02:39:56,725 INFO [main.py:643]
{rank 0/100} MD step = 120100 step time: 00:00:00.020418 Performance: 315.700 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:39:57,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120100 12010 40.09 -39472 4393.9 -43866 -43866 -0.15643 0.23662 0.078385 58624 2023-02-16 02:39:59,371 INFO [main.py:643]
{rank 0/100} MD step = 120200 step time: 00:00:00.021419 Performance: 315.709 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:39:59,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120200 12020 41.005 -39318 4494.2 -43812 -43812 -0.15563 0.23642 0.078543 58666 2023-02-16 02:40:02,046 INFO [main.py:643]
{rank 0/100} MD step = 120300 step time: 00:00:00.020353 Performance: 315.715 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:40:02,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120300 12030 39.539 -39513 4333.5 -43847 -43847 -0.15561 0.23692 0.079471 58705 2023-02-16 02:40:04,692 INFO [main.py:643]
{rank 0/100} MD step = 120400 step time: 00:00:00.020562 Performance: 315.723 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:40:05,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120400 12040 40.873 -39307 4479.7 -43787 -43787 -0.15601 0.2366 0.079204 58761 2023-02-16 02:40:07,366 INFO [main.py:643]
{rank 0/100} MD step = 120500 step time: 00:00:00.020451 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:40:08,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120500 12050 39.875 -39456 4370.4 -43826 -43826 -0.15684 0.23687 0.078638 58808 2023-02-16 02:40:10,101 INFO [main.py:643]
{rank 0/100} MD step = 120600 step time: 00:00:00.020353 Performance: 315.730 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:40:10,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120600 12060 40.298 -39481 4416.7 -43898 -43898 -0.15809 0.23773 0.078119 58860 2023-02-16 02:40:12,914 INFO [main.py:643]
{rank 0/100} MD step = 120700 step time: 00:00:00.020349 Performance: 315.722 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:40:13,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120700 12070 39.413 -39586 4319.7 -43906 -43906 -0.15885 0.23758 0.078462 58888 2023-02-16 02:40:15,569 INFO [main.py:643]
{rank 0/100} MD step = 120800 step time: 00:00:00.020497 Performance: 315.730 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:40:16,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120800 12080 40.673 -39405 4457.8 -43863 -43863 -0.15889 0.23781 0.078585 58933 2023-02-16 02:40:18,318 INFO [main.py:643]
{rank 0/100} MD step = 120900 step time: 00:00:00.021687 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:40:18,942 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120900 12090 40.196 -39444 4405.5 -43850 -43850 -0.15769 0.23731 0.078366 58971 2023-02-16 02:40:20,972 INFO [main.py:643]
{rank 0/100} MD step = 121000 step time: 00:00:00.020422 Performance: 315.737 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:40:21,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121000 12100 39.607 -39463 4341 -43804 -43804 -0.15709 0.23723 0.077966 59025 2023-02-16 02:40:23,618 INFO [main.py:643]
{rank 0/100} MD step = 121100 step time: 00:00:00.020500 Performance: 315.745 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:40:24,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121100 12110 39.636 -39437 4344.2 -43782 -43782 -0.15729 0.23796 0.078395 59078 2023-02-16 02:40:26,293 INFO [main.py:643]
{rank 0/100} MD step = 121200 step time: 00:00:00.020433 Performance: 315.751 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:40:26,876 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121200 12120 40.147 -39404 4400.1 -43804 -43804 -0.15689 0.23735 0.078271 59125 2023-02-16 02:40:28,967 INFO [main.py:643]
{rank 0/100} MD step = 121300 step time: 00:00:00.020537 Performance: 315.757 ns/day 0.076 hours/ns 36.546 steps/s 2023-02-16 02:40:29,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121300 12130 39.887 -39474 4371.6 -43846 -43846 -0.15662 0.23777 0.079185 59179 2023-02-16 02:40:31,635 INFO [main.py:643]
{rank 0/100} MD step = 121400 step time: 00:00:00.020284 Performance: 315.764 ns/day 0.076 hours/ns 36.547 steps/s 2023-02-16 02:40:32,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121400 12140 40.464 -39444 4434.9 -43879 -43879 -0.15586 0.23652 0.079233 59216 2023-02-16 02:40:34,340 INFO [main.py:643]
{rank 0/100} MD step = 121500 step time: 00:00:00.020545 Performance: 315.767 ns/day 0.076 hours/ns 36.547 steps/s 2023-02-16 02:40:34,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121500 12150 39.774 -39500 4359.3 -43859 -43859 -0.15424 0.23626 0.079347 59263 2023-02-16 02:40:37,003 INFO [main.py:643]
{rank 0/100} MD step = 121600 step time: 00:00:00.020710 Performance: 315.773 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:40:37,606 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121600 12160 39.771 -39446 4358.9 -43805 -43805 -0.15454 0.23693 0.079428 59313 2023-02-16 02:40:39,658 INFO [main.py:643]
{rank 0/100} MD step = 121700 step time: 00:00:00.020360 Performance: 315.781 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:40:40,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121700 12170 41.313 -39368 4527.9 -43896 -43896 -0.15386 0.23618 0.078785 59349 2023-02-16 02:40:42,362 INFO [main.py:643]
{rank 0/100} MD step = 121800 step time: 00:00:00.020341 Performance: 315.784 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:40:43,052 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121800 12180 39.521 -39468 4331.6 -43800 -43800 -0.1533 0.2356 0.079257 59382 2023-02-16 02:40:45,077 INFO [main.py:643]
{rank 0/100} MD step = 121900 step time: 00:00:00.020448 Performance: 315.786 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:40:45,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121900 12190 40.173 -39408 4403.1 -43811 -43811 -0.15308 0.23688 0.079738 59449 2023-02-16 02:40:47,719 INFO [main.py:643]
{rank 0/100} MD step = 122000 step time: 00:00:00.020515 Performance: 315.795 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:40:48,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122000 12200 40.053 -39395 4389.9 -43785 -43785 -0.15384 0.23716 0.079471 59508 2023-02-16 02:40:50,418 INFO [main.py:643]
{rank 0/100} MD step = 122100 step time: 00:00:00.020550 Performance: 315.799 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:40:50,944 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122100 12210 40.169 -39429 4402.5 -43832 -43832 -0.15323 0.23674 0.080119 59535 2023-02-16 02:40:53,085 INFO [main.py:643]
{rank 0/100} MD step = 122200 step time: 00:00:00.020288 Performance: 315.805 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:40:53,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122200 12220 39.62 -39443 4342.4 -43785 -43785 -0.1517 0.2367 0.080081 59587 2023-02-16 02:40:55,767 INFO [main.py:643]
{rank 0/100} MD step = 122300 step time: 00:00:00.020369 Performance: 315.810 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:40:56,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122300 12230 39.792 -39409 4361.3 -43770 -43770 -0.15086 0.23629 0.079138 59654 2023-02-16 02:40:58,492 INFO [main.py:643]
{rank 0/100} MD step = 122400 step time: 00:00:00.020286 Performance: 315.811 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:40:59,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122400 12240 40.129 -39439 4398.1 -43837 -43837 -0.14923 0.23588 0.078862 59691 2023-02-16 02:41:01,157 INFO [main.py:643]
{rank 0/100} MD step = 122500 step time: 00:00:00.020477 Performance: 315.818 ns/day 0.076 hours/ns 36.553 steps/s 2023-02-16 02:41:01,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122500 12250 40.352 -39443 4422.6 -43866 -43866 -0.14901 0.23577 0.079395 59756 2023-02-16 02:41:04,103 INFO [main.py:643]
{rank 0/100} MD step = 122600 step time: 00:00:00.020499 Performance: 315.798 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:41:04,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122600 12260 40.117 -39321 4396.8 -43718 -43718 -0.14939 0.2369 0.079657 59807 2023-02-16 02:41:07,828 INFO [main.py:643]
{rank 0/100} MD step = 122700 step time: 00:00:00.020587 Performance: 315.705 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:41:08,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122700 12270 40.215 -39430 4407.6 -43838 -43838 -0.15047 0.2372 0.079271 59852 2023-02-16 02:41:10,821 INFO [main.py:643]
{rank 0/100} MD step = 122800 step time: 00:00:00.020391 Performance: 315.681 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:41:11,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122800 12280 40.094 -39466 4394.3 -43861 -43861 -0.14888 0.2377 0.078804 59906 2023-02-16 02:41:13,501 INFO [main.py:643]
{rank 0/100} MD step = 122900 step time: 00:00:00.020765 Performance: 315.686 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:41:14,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122900 12290 39.644 -39521 4345 -43866 -43866 -0.15028 0.23815 0.079033 59963 2023-02-16 02:41:16,195 INFO [main.py:643]
{rank 0/100} MD step = 123000 step time: 00:00:00.020308 Performance: 315.690 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:41:16,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123000 12300 40.428 -39422 4431 -43853 -43853 -0.1489 0.23903 0.079604 60011 2023-02-16 02:41:18,938 INFO [main.py:643]
{rank 0/100} MD step = 123100 step time: 00:00:00.020281 Performance: 315.690 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:41:19,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123100 12310 39.533 -39552 4332.8 -43885 -43885 -0.14873 0.2398 0.079352 60065 2023-02-16 02:41:21,642 INFO [main.py:643]
{rank 0/100} MD step = 123200 step time: 00:00:00.020261 Performance: 315.693 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:41:22,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123200 12320 40.548 -39341 4444.1 -43785 -43785 -0.14993 0.2402 0.079295 60116 2023-02-16 02:41:24,324 INFO [main.py:643]
{rank 0/100} MD step = 123300 step time: 00:00:00.020462 Performance: 315.698 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:41:24,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123300 12330 39.74 -39460 4355.6 -43815 -43815 -0.14968 0.24041 0.078771 60164 2023-02-16 02:41:26,998 INFO [main.py:643]
{rank 0/100} MD step = 123400 step time: 00:00:00.020639 Performance: 315.704 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:41:27,605 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123400 12340 39.648 -39478 4345.4 -43824 -43824 -0.14875 0.24048 0.079043 60194 2023-02-16 02:41:29,645 INFO [main.py:643]
{rank 0/100} MD step = 123500 step time: 00:00:00.020345 Performance: 315.712 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:41:30,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123500 12350 39.751 -39417 4356.7 -43773 -43773 -0.14947 0.23999 0.079176 60233 2023-02-16 02:41:32,372 INFO [main.py:643]
{rank 0/100} MD step = 123600 step time: 00:00:00.020357 Performance: 315.713 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:41:32,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123600 12360 39.698 -39523 4350.9 -43874 -43874 -0.15003 0.23982 0.079128 60306 2023-02-16 02:41:35,039 INFO [main.py:643]
{rank 0/100} MD step = 123700 step time: 00:00:00.020434 Performance: 315.720 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:41:35,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123700 12370 40.133 -39419 4398.6 -43818 -43818 -0.15046 0.2399 0.079833 60349 2023-02-16 02:41:37,691 INFO [main.py:643]
{rank 0/100} MD step = 123800 step time: 00:00:00.020624 Performance: 315.728 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:41:38,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123800 12380 39.982 -39503 4382 -43885 -43885 -0.14976 0.2394 0.080671 60402 2023-02-16 02:41:40,542 INFO [main.py:643]
{rank 0/100} MD step = 123900 step time: 00:00:00.020461 Performance: 315.717 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:41:41,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123900 12390 40.308 -39477 4417.8 -43894 -43894 -0.15228 0.23914 0.080538 60457 2023-02-16 02:41:43,185 INFO [main.py:643]
{rank 0/100} MD step = 124000 step time: 00:00:00.020354 Performance: 315.726 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:41:43,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124000 12400 39.579 -39540 4337.9 -43878 -43878 -0.15466 0.23952 0.080671 60491 2023-02-16 02:41:45,884 INFO [main.py:643]
{rank 0/100} MD step = 124100 step time: 00:00:00.020431 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:41:46,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124100 12410 39.968 -39401 4380.6 -43781 -43781 -0.15385 0.23965 0.080452 60556 2023-02-16 02:41:48,555 INFO [main.py:643]
{rank 0/100} MD step = 124200 step time: 00:00:00.020296 Performance: 315.735 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:41:49,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124200 12420 40.504 -39396 4439.3 -43836 -43836 -0.1526 0.24045 0.079985 60598 2023-02-16 02:41:51,428 INFO [main.py:643]
{rank 0/100} MD step = 124300 step time: 00:00:00.020495 Performance: 315.723 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:41:51,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124300 12430 40.597 -39407 4449.4 -43856 -43856 -0.15176 0.24123 0.08069 60644 2023-02-16 02:41:54,099 INFO [main.py:643]
{rank 0/100} MD step = 124400 step time: 00:00:00.020331 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:41:54,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124400 12440 39.531 -39480 4332.7 -43813 -43813 -0.15054 0.2413 0.079966 60708 2023-02-16 02:41:56,750 INFO [main.py:643]
{rank 0/100} MD step = 124500 step time: 00:00:00.020464 Performance: 315.736 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:41:57,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124500 12450 39.906 -39445 4373.7 -43818 -43818 -0.15085 0.24076 0.079985 60749 2023-02-16 02:41:59,398 INFO [main.py:643]
{rank 0/100} MD step = 124600 step time: 00:00:00.020498 Performance: 315.745 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:42:00,131 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124600 12460 40.42 -39460 4430 -43890 -43890 -0.15161 0.24047 0.079871 60812 2023-02-16 02:42:02,195 INFO [main.py:643]
{rank 0/100} MD step = 124700 step time: 00:00:00.020409 Performance: 315.739 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:42:02,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124700 12470 39.896 -39465 4372.7 -43837 -43837 -0.15113 0.24166 0.080071 60858 2023-02-16 02:42:04,940 INFO [main.py:643]
{rank 0/100} MD step = 124800 step time: 00:00:00.020446 Performance: 315.738 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:42:05,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124800 12480 40.356 -39421 4423.1 -43844 -43844 -0.15134 0.24127 0.080166 60907 2023-02-16 02:42:07,664 INFO [main.py:643]
{rank 0/100} MD step = 124900 step time: 00:00:00.020401 Performance: 315.739 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:42:08,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124900 12490 39.755 -39500 4357.2 -43857 -43857 -0.1517 0.24192 0.079819 60964 2023-02-16 02:42:10,369 INFO [main.py:643]
{rank 0/100} MD step = 125000 step time: 00:00:00.020647 Performance: 315.742 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:42:10,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125000 12500 40.163 -39362 4401.9 -43764 -43764 -0.15261 0.24281 0.080105 61015 2023-02-16 02:42:13,066 INFO [main.py:643]
{rank 0/100} MD step = 125100 step time: 00:00:00.020389 Performance: 315.746 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:42:13,758 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125100 12510 39.854 -39479 4368.1 -43847 -43847 -0.15324 0.24358 0.079995 61062 2023-02-16 02:42:15,787 INFO [main.py:643]
{rank 0/100} MD step = 125200 step time: 00:00:00.020502 Performance: 315.747 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:42:16,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125200 12520 39.945 -39471 4378 -43849 -43849 -0.15191 0.24411 0.080033 61100 2023-02-16 02:42:18,490 INFO [main.py:643]
{rank 0/100} MD step = 125300 step time: 00:00:00.020466 Performance: 315.750 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:42:18,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125300 12530 40.562 -39382 4445.6 -43828 -43828 -0.15075 0.24338 0.079262 61147 2023-02-16 02:42:21,157 INFO [main.py:643]
{rank 0/100} MD step = 125400 step time: 00:00:00.020348 Performance: 315.757 ns/day 0.076 hours/ns 36.546 steps/s 2023-02-16 02:42:21,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125400 12540 39.855 -39376 4368.1 -43744 -43744 -0.15075 0.24284 0.079328 61210 2023-02-16 02:42:23,846 INFO [main.py:643]
{rank 0/100} MD step = 125500 step time: 00:00:00.020405 Performance: 315.761 ns/day 0.076 hours/ns 36.546 steps/s 2023-02-16 02:42:24,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125500 12550 40.242 -39445 4410.5 -43856 -43856 -0.15178 0.24276 0.079581 61251 2023-02-16 02:42:26,515 INFO [main.py:643]
{rank 0/100} MD step = 125600 step time: 00:00:00.020475 Performance: 315.767 ns/day 0.076 hours/ns 36.547 steps/s 2023-02-16 02:42:27,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125600 12560 40.285 -39424 4415.3 -43839 -43839 -0.15285 0.24278 0.080081 61309 2023-02-16 02:42:29,183 INFO [main.py:643]
{rank 0/100} MD step = 125700 step time: 00:00:00.020302 Performance: 315.774 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:42:29,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125700 12570 40.261 -39355 4412.7 -43768 -43768 -0.15263 0.24207 0.080081 61371 2023-02-16 02:42:31,853 INFO [main.py:643]
{rank 0/100} MD step = 125800 step time: 00:00:00.020472 Performance: 315.780 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:42:32,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125800 12580 40.117 -39438 4396.9 -43835 -43835 -0.15187 0.24243 0.080614 61413 2023-02-16 02:42:34,495 INFO [main.py:643]
{rank 0/100} MD step = 125900 step time: 00:00:00.020502 Performance: 315.788 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:42:35,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125900 12590 40.248 -39450 4411.3 -43861 -43861 -0.15164 0.2423 0.080947 61460 2023-02-16 02:42:37,264 INFO [main.py:643]
{rank 0/100} MD step = 126000 step time: 00:00:00.020607 Performance: 315.785 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:42:37,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126000 12600 40.265 -39375 4413.1 -43788 -43788 -0.15222 0.24249 0.080986 61535 2023-02-16 02:42:39,937 INFO [main.py:643]
{rank 0/100} MD step = 126100 step time: 00:00:00.020464 Performance: 315.791 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:42:40,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126100 12610 39.946 -39388 4378.1 -43766 -43766 -0.15094 0.24359 0.081528 61575 2023-02-16 02:42:42,635 INFO [main.py:643]
{rank 0/100} MD step = 126200 step time: 00:00:00.020353 Performance: 315.795 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:42:43,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126200 12620 39.555 -39392 4335.3 -43727 -43727 -0.14963 0.24439 0.081871 61614 2023-02-16 02:42:45,339 INFO [main.py:643]
{rank 0/100} MD step = 126300 step time: 00:00:00.020513 Performance: 315.797 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:42:46,004 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126300 12630 40.593 -39445 4449.1 -43894 -43894 -0.1497 0.2459 0.081971 61666 2023-02-16 02:42:48,060 INFO [main.py:643]
{rank 0/100} MD step = 126400 step time: 00:00:00.020385 Performance: 315.799 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:42:48,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126400 12640 39.6 -39569 4340.2 -43909 -43909 -0.15083 0.24622 0.08229 61706 2023-02-16 02:42:50,828 INFO [main.py:643]
{rank 0/100} MD step = 126500 step time: 00:00:00.020487 Performance: 315.796 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:42:51,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126500 12650 40.338 -39405 4421.1 -43826 -43826 -0.15 0.24556 0.08309 61765 2023-02-16 02:42:53,616 INFO [main.py:643]
{rank 0/100} MD step = 126600 step time: 00:00:00.020533 Performance: 315.791 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:42:54,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126600 12660 40.467 -39436 4435.2 -43871 -43871 -0.15108 0.24601 0.0837 61820 2023-02-16 02:42:56,530 INFO [main.py:643]
{rank 0/100} MD step = 126700 step time: 00:00:00.020412 Performance: 315.775 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:42:57,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126700 12670 39.926 -39501 4376 -43877 -43877 -0.15126 0.2458 0.08414 61851 2023-02-16 02:42:59,256 INFO [main.py:643]
{rank 0/100} MD step = 126800 step time: 00:00:00.020498 Performance: 315.776 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:42:59,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126800 12680 39.911 -39436 4374.3 -43810 -43810 -0.15102 0.24645 0.084767 61907 2023-02-16 02:43:02,018 INFO [main.py:643]
{rank 0/100} MD step = 126900 step time: 00:00:00.020371 Performance: 315.773 ns/day 0.076 hours/ns 36.548 steps/s 2023-02-16 02:43:02,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126900 12690 40.344 -39334 4421.7 -43755 -43755 -0.15171 0.24706 0.083929 61943 2023-02-16 02:43:04,672 INFO [main.py:643]
{rank 0/100} MD step = 127000 step time: 00:00:00.020515 Performance: 315.781 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:43:05,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127000 12700 39.923 -39412 4375.6 -43788 -43788 -0.15334 0.24662 0.083357 62011 2023-02-16 02:43:07,369 INFO [main.py:643]
{rank 0/100} MD step = 127100 step time: 00:00:00.020417 Performance: 315.784 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:43:08,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127100 12710 39.891 -39479 4372.1 -43851 -43851 -0.15406 0.24739 0.083243 62038 2023-02-16 02:43:10,111 INFO [main.py:643]
{rank 0/100} MD step = 127200 step time: 00:00:00.020353 Performance: 315.784 ns/day 0.076 hours/ns 36.549 steps/s 2023-02-16 02:43:10,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127200 12720 39.869 -39457 4369.7 -43826 -43826 -0.15405 0.24763 0.082586 62085 2023-02-16 02:43:12,777 INFO [main.py:643]
{rank 0/100} MD step = 127300 step time: 00:00:00.020388 Performance: 315.790 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:43:13,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127300 12730 39.834 -39427 4365.9 -43793 -43793 -0.15428 0.2479 0.083262 62137 2023-02-16 02:43:15,436 INFO [main.py:643]
{rank 0/100} MD step = 127400 step time: 00:00:00.020419 Performance: 315.797 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:43:16,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127400 12740 40.101 -39336 4395.1 -43731 -43731 -0.15555 0.24835 0.083419 62181 2023-02-16 02:43:18,175 INFO [main.py:643]
{rank 0/100} MD step = 127500 step time: 00:00:00.021196 Performance: 315.797 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:43:18,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127500 12750 40.196 -39448 4405.5 -43853 -43853 -0.15608 0.24929 0.08411 62224 2023-02-16 02:43:20,819 INFO [main.py:643]
{rank 0/100} MD step = 127600 step time: 00:00:00.020561 Performance: 315.805 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:43:21,671 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127600 12760 40.312 -39411 4418.3 -43829 -43829 -0.15629 0.2495 0.08479 62273 2023-02-16 02:43:23,702 INFO [main.py:643]
{rank 0/100} MD step = 127700 step time: 00:00:00.020380 Performance: 315.792 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:43:24,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127700 12770 40.241 -39331 4410.4 -43741 -43741 -0.1564 0.25065 0.085033 62337 2023-02-16 02:43:26,417 INFO [main.py:643]
{rank 0/100} MD step = 127800 step time: 00:00:00.020311 Performance: 315.794 ns/day 0.076 hours/ns 36.550 steps/s 2023-02-16 02:43:26,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127800 12780 40.504 -39469 4439.3 -43909 -43909 -0.15753 0.25116 0.084786 62373 2023-02-16 02:43:29,106 INFO [main.py:643]
{rank 0/100} MD step = 127900 step time: 00:00:00.020399 Performance: 315.798 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:43:29,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127900 12790 40.098 -39461 4394.8 -43856 -43856 -0.15761 0.25227 0.084995 62442 2023-02-16 02:43:31,834 INFO [main.py:643]
{rank 0/100} MD step = 128000 step time: 00:00:00.020386 Performance: 315.799 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:43:32,302 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128000 12800 40.907 -39278 4483.4 -43761 -43761 -0.15976 0.2525 0.085605 62490 2023-02-16 02:43:34,485 INFO [main.py:643]
{rank 0/100} MD step = 128100 step time: 00:00:00.020305 Performance: 315.807 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:43:35,208 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128100 12810 39.937 -39490 4377.1 -43867 -43867 -0.16025 0.25276 0.0846 62535 2023-02-16 02:43:37,254 INFO [main.py:643]
{rank 0/100} MD step = 128200 step time: 00:00:00.020442 Performance: 315.804 ns/day 0.076 hours/ns 36.551 steps/s 2023-02-16 02:43:37,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128200 12820 39.127 -39554 4288.3 -43842 -43842 -0.16001 0.25331 0.085576 62568 2023-02-16 02:43:39,920 INFO [main.py:643]
{rank 0/100} MD step = 128300 step time: 00:00:00.020352 Performance: 315.810 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:43:40,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128300 12830 39.873 -39483 4370.1 -43853 -43853 -0.16097 0.25436 0.085557 62608 2023-02-16 02:43:42,633 INFO [main.py:643]
{rank 0/100} MD step = 128400 step time: 00:00:00.020368 Performance: 315.812 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:43:43,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128400 12840 39.746 -39519 4356.2 -43875 -43875 -0.16129 0.25354 0.08511 62664 2023-02-16 02:43:45,283 INFO [main.py:643]
{rank 0/100} MD step = 128500 step time: 00:00:00.020443 Performance: 315.820 ns/day 0.076 hours/ns 36.553 steps/s 2023-02-16 02:43:45,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128500 12850 39.843 -39468 4366.8 -43835 -43835 -0.16178 0.25405 0.085872 62716 2023-02-16 02:43:47,913 INFO [main.py:643]
{rank 0/100} MD step = 128600 step time: 00:00:00.020310 Performance: 315.829 ns/day 0.076 hours/ns 36.554 steps/s 2023-02-16 02:43:48,609 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128600 12860 39.621 -39474 4342.5 -43816 -43816 -0.16256 0.25327 0.086138 62767 2023-02-16 02:43:50,636 INFO [main.py:643]
{rank 0/100} MD step = 128700 step time: 00:00:00.020318 Performance: 315.830 ns/day 0.076 hours/ns 36.554 steps/s 2023-02-16 02:43:51,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128700 12870 39.448 -39446 4323.6 -43770 -43770 -0.16052 0.2534 0.086843 62814 2023-02-16 02:43:53,624 INFO [main.py:643]
{rank 0/100} MD step = 128800 step time: 00:00:00.020403 Performance: 315.808 ns/day 0.076 hours/ns 36.552 steps/s 2023-02-16 02:43:54,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128800 12880 40.173 -39508 4403 -43911 -43911 -0.16019 0.25424 0.086262 62857 2023-02-16 02:43:56,273 INFO [main.py:643]
{rank 0/100} MD step = 128900 step time: 00:00:00.020442 Performance: 315.815 ns/day 0.076 hours/ns 36.553 steps/s 2023-02-16 02:43:56,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128900 12890 39.584 -39506 4338.5 -43844 -43844 -0.16104 0.25381 0.086214 62901 2023-02-16 02:43:58,957 INFO [main.py:643]
{rank 0/100} MD step = 129000 step time: 00:00:00.020513 Performance: 315.820 ns/day 0.076 hours/ns 36.553 steps/s 2023-02-16 02:43:59,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129000 12900 40.142 -39420 4399.6 -43820 -43820 -0.16104 0.25436 0.086138 62952 2023-02-16 02:44:01,544 INFO [main.py:643]
{rank 0/100} MD step = 129100 step time: 00:00:00.020487 Performance: 315.833 ns/day 0.076 hours/ns 36.555 steps/s 2023-02-16 02:44:02,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129100 12910 40.099 -39475 4394.9 -43870 -43870 -0.1612 0.25375 0.086105 63001 2023-02-16 02:44:04,250 INFO [main.py:643]
{rank 0/100} MD step = 129200 step time: 00:00:00.020334 Performance: 315.836 ns/day 0.076 hours/ns 36.555 steps/s 2023-02-16 02:44:04,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129200 12920 39.98 -39434 4381.9 -43816 -43816 -0.16298 0.2542 0.086386 63042 2023-02-16 02:44:06,933 INFO [main.py:643]
{rank 0/100} MD step = 129300 step time: 00:00:00.020401 Performance: 315.841 ns/day 0.076 hours/ns 36.556 steps/s 2023-02-16 02:44:07,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129300 12930 39.687 -39515 4349.8 -43865 -43865 -0.16256 0.254 0.086329 63087 2023-02-16 02:44:09,613 INFO [main.py:643]
{rank 0/100} MD step = 129400 step time: 00:00:00.020639 Performance: 315.846 ns/day 0.076 hours/ns 36.556 steps/s 2023-02-16 02:44:10,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129400 12940 39.655 -39491 4346.2 -43837 -43837 -0.16066 0.25375 0.087148 63159 2023-02-16 02:44:12,323 INFO [main.py:643]
{rank 0/100} MD step = 129500 step time: 00:00:00.020485 Performance: 315.848 ns/day 0.076 hours/ns 36.556 steps/s 2023-02-16 02:44:12,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129500 12950 39.846 -39476 4367.2 -43843 -43843 -0.16089 0.25347 0.086791 63203 2023-02-16 02:44:14,974 INFO [main.py:643]
{rank 0/100} MD step = 129600 step time: 00:00:00.020353 Performance: 315.855 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:44:15,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129600 12960 39.983 -39503 4382.2 -43885 -43885 -0.16035 0.25314 0.087095 63253 2023-02-16 02:44:17,735 INFO [main.py:643]
{rank 0/100} MD step = 129700 step time: 00:00:00.020418 Performance: 315.853 ns/day 0.076 hours/ns 36.557 steps/s 2023-02-16 02:44:18,364 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129700 12970 41.043 -39340 4498.4 -43839 -43839 -0.16113 0.25478 0.087519 63312 2023-02-16 02:44:20,390 INFO [main.py:643]
{rank 0/100} MD step = 129800 step time: 00:00:00.020577 Performance: 315.860 ns/day 0.076 hours/ns 36.558 steps/s 2023-02-16 02:44:20,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129800 12980 40.163 -39453 4401.9 -43855 -43855 -0.16064 0.25447 0.087167 63358 2023-02-16 02:44:23,072 INFO [main.py:643]
{rank 0/100} MD step = 129900 step time: 00:00:00.020357 Performance: 315.865 ns/day 0.076 hours/ns 36.558 steps/s 2023-02-16 02:44:23,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129900 12990 40.202 -39475 4406.1 -43882 -43882 -0.16027 0.25517 0.087243 63408 2023-02-16 02:44:25,716 INFO [main.py:643]
{rank 0/100} MD step = 130000 step time: 00:00:00.020422 Performance: 315.873 ns/day 0.076 hours/ns 36.559 steps/s 2023-02-16 02:44:26,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130000 13000 40.252 -39426 4411.7 -43838 -43838 -0.15997 0.256 0.0879 63448 2023-02-16 02:44:28,528 INFO [main.py:643]
{rank 0/100} MD step = 130100 step time: 00:00:00.020397 Performance: 315.866 ns/day 0.076 hours/ns 36.559 steps/s 2023-02-16 02:44:29,163 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130100 13010 39.239 -39566 4300.6 -43867 -43867 -0.15995 0.25584 0.088653 63499 2023-02-16 02:44:31,189 INFO [main.py:643]
{rank 0/100} MD step = 130200 step time: 00:00:00.020445 Performance: 315.873 ns/day 0.076 hours/ns 36.559 steps/s 2023-02-16 02:44:31,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130200 13020 39.831 -39384 4365.6 -43749 -43749 -0.15905 0.25518 0.089224 63559 2023-02-16 02:44:33,906 INFO [main.py:643]
{rank 0/100} MD step = 130300 step time: 00:00:00.020545 Performance: 315.875 ns/day 0.076 hours/ns 36.560 steps/s 2023-02-16 02:44:34,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 13030 40.393 -39457 4427.1 -43884 -43884 -0.15932 0.25522 0.090634 63596 2023-02-16 02:44:36,555 INFO [main.py:643]
{rank 0/100} MD step = 130400 step time: 00:00:00.020393 Performance: 315.882 ns/day 0.076 hours/ns 36.560 steps/s 2023-02-16 02:44:37,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130400 13040 39.918 -39474 4375.1 -43849 -43849 -0.15907 0.25632 0.090805 63650 2023-02-16 02:44:39,239 INFO [main.py:643]
{rank 0/100} MD step = 130500 step time: 00:00:00.020475 Performance: 315.887 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:44:39,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130500 13050 40.098 -39544 4394.7 -43939 -43939 -0.15913 0.25589 0.091167 63701 2023-02-16 02:44:41,943 INFO [main.py:643]
{rank 0/100} MD step = 130600 step time: 00:00:00.020432 Performance: 315.890 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:44:42,549 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130600 13060 40.488 -39464 4437.6 -43901 -43901 -0.15771 0.2557 0.091124 63757 2023-02-16 02:44:44,593 INFO [main.py:643]
{rank 0/100} MD step = 130700 step time: 00:00:00.020800 Performance: 315.897 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:44:45,095 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130700 13070 39.926 -39613 4375.9 -43989 -43989 -0.15665 0.25561 0.091815 63798 2023-02-16 02:44:47,326 INFO [main.py:643]
{rank 0/100} MD step = 130800 step time: 00:00:00.020291 Performance: 315.897 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:44:47,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130800 13080 40.117 -39464 4396.9 -43861 -43861 -0.15779 0.25648 0.091731 63846 2023-02-16 02:44:50,027 INFO [main.py:643]
{rank 0/100} MD step = 130900 step time: 00:00:00.020408 Performance: 315.900 ns/day 0.076 hours/ns 36.563 steps/s 2023-02-16 02:44:50,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130900 13090 39.821 -39569 4364.4 -43934 -43934 -0.15742 0.25621 0.092148 63896 2023-02-16 02:44:52,764 INFO [main.py:643]
{rank 0/100} MD step = 131000 step time: 00:00:00.020417 Performance: 315.900 ns/day 0.076 hours/ns 36.563 steps/s 2023-02-16 02:44:53,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131000 13100 39.803 -39453 4362.5 -43815 -43815 -0.15828 0.25546 0.092005 63942 2023-02-16 02:44:55,450 INFO [main.py:643]
{rank 0/100} MD step = 131100 step time: 00:00:00.020451 Performance: 315.904 ns/day 0.076 hours/ns 36.563 steps/s 2023-02-16 02:44:56,375 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131100 13110 39.93 -39474 4376.4 -43850 -43850 -0.15828 0.25628 0.093205 63981 2023-02-16 02:44:58,415 INFO [main.py:643]
{rank 0/100} MD step = 131200 step time: 00:00:00.020339 Performance: 315.884 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:44:59,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131200 13120 40.229 -39405 4409.2 -43814 -43814 -0.15795 0.25624 0.093148 64041 2023-02-16 02:45:01,059 INFO [main.py:643]
{rank 0/100} MD step = 131300 step time: 00:00:00.020475 Performance: 315.892 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:45:01,598 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131300 13130 39.891 -39407 4372.1 -43779 -43779 -0.15742 0.25607 0.092967 64081 2023-02-16 02:45:03,736 INFO [main.py:643]
{rank 0/100} MD step = 131400 step time: 00:00:00.020326 Performance: 315.897 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:45:04,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131400 13140 39.754 -39474 4357.1 -43831 -43831 -0.15588 0.25575 0.093839 64139 2023-02-16 02:45:06,403 INFO [main.py:643]
{rank 0/100} MD step = 131500 step time: 00:00:00.020519 Performance: 315.903 ns/day 0.076 hours/ns 36.563 steps/s 2023-02-16 02:45:07,007 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131500 13150 40.041 -39441 4388.6 -43829 -43829 -0.157 0.25624 0.093262 64175 2023-02-16 02:45:09,053 INFO [main.py:643]
{rank 0/100} MD step = 131600 step time: 00:00:00.020471 Performance: 315.911 ns/day 0.076 hours/ns 36.564 steps/s 2023-02-16 02:45:09,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131600 13160 40.351 -39430 4422.5 -43852 -43852 -0.15744 0.25588 0.093891 64223 2023-02-16 02:45:11,792 INFO [main.py:643]
{rank 0/100} MD step = 131700 step time: 00:00:00.020505 Performance: 315.910 ns/day 0.076 hours/ns 36.564 steps/s 2023-02-16 02:45:12,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131700 13170 40.336 -39393 4420.9 -43814 -43814 -0.15558 0.25537 0.093605 64283 2023-02-16 02:45:14,450 INFO [main.py:643]
{rank 0/100} MD step = 131800 step time: 00:00:00.020352 Performance: 315.917 ns/day 0.076 hours/ns 36.564 steps/s 2023-02-16 02:45:15,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131800 13180 40.026 -39479 4386.8 -43866 -43866 -0.15406 0.25507 0.094024 64337 2023-02-16 02:45:17,177 INFO [main.py:643]
{rank 0/100} MD step = 131900 step time: 00:00:00.020585 Performance: 315.918 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:45:17,819 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131900 13190 39.72 -39428 4353.3 -43782 -43782 -0.15293 0.25511 0.09412 64384 2023-02-16 02:45:19,896 INFO [main.py:643]
{rank 0/100} MD step = 132000 step time: 00:00:00.020342 Performance: 315.919 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:45:20,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132000 13200 39.339 -39543 4311.6 -43854 -43854 -0.15247 0.25571 0.094105 64418 2023-02-16 02:45:22,614 INFO [main.py:643]
{rank 0/100} MD step = 132100 step time: 00:00:00.020363 Performance: 315.921 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:45:23,316 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132100 13210 39.779 -39494 4359.9 -43854 -43854 -0.15348 0.25601 0.094408 64473 2023-02-16 02:45:25,386 INFO [main.py:643]
{rank 0/100} MD step = 132200 step time: 00:00:00.020349 Performance: 315.917 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:45:25,938 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132200 13220 40.726 -39408 4463.7 -43872 -43872 -0.15235 0.25582 0.093596 64516 2023-02-16 02:45:28,096 INFO [main.py:643]
{rank 0/100} MD step = 132300 step time: 00:00:00.020533 Performance: 315.920 ns/day 0.076 hours/ns 36.565 steps/s 2023-02-16 02:45:28,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132300 13230 40.731 -39377 4464.2 -43841 -43841 -0.15256 0.25614 0.093224 64570 2023-02-16 02:45:30,867 INFO [main.py:643]
{rank 0/100} MD step = 132400 step time: 00:00:00.020362 Performance: 315.916 ns/day 0.076 hours/ns 36.564 steps/s 2023-02-16 02:45:31,302 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132400 13240 40.091 -39452 4394 -43846 -43846 -0.15209 0.2567 0.093748 64616 2023-02-16 02:45:33,798 INFO [main.py:643]
{rank 0/100} MD step = 132500 step time: 00:00:00.022430 Performance: 315.899 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:45:34,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132500 13250 39.604 -39462 4340.6 -43803 -43803 -0.15221 0.25742 0.093815 64653 2023-02-16 02:45:36,611 INFO [main.py:643]
{rank 0/100} MD step = 132600 step time: 00:00:00.020903 Performance: 315.892 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:45:37,275 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132600 13260 40 -39543 4384 -43927 -43927 -0.15163 0.25727 0.093881 64708 2023-02-16 02:45:39,316 INFO [main.py:643]
{rank 0/100} MD step = 132700 step time: 00:00:00.020506 Performance: 315.895 ns/day 0.076 hours/ns 36.562 steps/s 2023-02-16 02:45:40,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132700 13270 40.051 -39454 4389.6 -43844 -43844 -0.15048 0.25793 0.094491 64768 2023-02-16 02:45:42,208 INFO [main.py:643]
{rank 0/100} MD step = 132800 step time: 00:00:00.020525 Performance: 315.882 ns/day 0.076 hours/ns 36.560 steps/s 2023-02-16 02:45:42,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132800 13280 39.546 -39543 4334.2 -43877 -43877 -0.15143 0.25815 0.095291 64796 2023-02-16 02:45:44,913 INFO [main.py:643]
{rank 0/100} MD step = 132900 step time: 00:00:00.020486 Performance: 315.884 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:45:45,443 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132900 13290 39.484 -39526 4327.5 -43854 -43854 -0.15179 0.25979 0.095129 64864 2023-02-16 02:45:47,625 INFO [main.py:643]
{rank 0/100} MD step = 133000 step time: 00:00:00.020462 Performance: 315.886 ns/day 0.076 hours/ns 36.561 steps/s 2023-02-16 02:45:50,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133000 13300 40.511 -39398 4440.1 -43838 -43838 -0.15342 0.25941 0.094301 64925 2023-02-16 02:45:52,398 INFO [main.py:643]
{rank 0/100} MD step = 133100 step time: 00:00:00.020302 Performance: 315.709 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:45:52,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133100 13310 39.628 -39538 4343.3 -43881 -43881 -0.15334 0.26027 0.093796 64954 2023-02-16 02:45:55,056 INFO [main.py:643]
{rank 0/100} MD step = 133200 step time: 00:00:00.020345 Performance: 315.716 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:45:55,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133200 13320 40.06 -39426 4390.7 -43817 -43817 -0.15357 0.26043 0.093986 65000 2023-02-16 02:45:57,736 INFO [main.py:643]
{rank 0/100} MD step = 133300 step time: 00:00:00.020482 Performance: 315.721 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:45:58,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133300 13330 40.165 -39386 4402.1 -43788 -43788 -0.15406 0.26035 0.093901 65066 2023-02-16 02:46:00,643 INFO [main.py:643]
{rank 0/100} MD step = 133400 step time: 00:00:00.020472 Performance: 315.706 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:46:01,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133400 13340 39.91 -39449 4374.2 -43823 -43823 -0.15319 0.26119 0.093424 65114 2023-02-16 02:46:03,490 INFO [main.py:643]
{rank 0/100} MD step = 133500 step time: 00:00:00.020560 Performance: 315.697 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:46:04,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133500 13350 39.796 -39519 4361.7 -43880 -43880 -0.15442 0.26107 0.093701 65172 2023-02-16 02:46:06,194 INFO [main.py:643]
{rank 0/100} MD step = 133600 step time: 00:00:00.020393 Performance: 315.700 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:46:06,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133600 13360 40.037 -39485 4388.1 -43873 -43873 -0.15534 0.26011 0.093824 65217 2023-02-16 02:46:09,002 INFO [main.py:643]
{rank 0/100} MD step = 133700 step time: 00:00:00.020568 Performance: 315.694 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:46:09,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133700 13370 39.652 -39491 4345.9 -43837 -43837 -0.1546 0.26134 0.09351 65264 2023-02-16 02:46:11,695 INFO [main.py:643]
{rank 0/100} MD step = 133800 step time: 00:00:00.020349 Performance: 315.697 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:46:12,344 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133800 13380 39.999 -39504 4383.9 -43888 -43888 -0.1546 0.26131 0.093715 65315 2023-02-16 02:46:14,376 INFO [main.py:643]
{rank 0/100} MD step = 133900 step time: 00:00:00.020464 Performance: 315.702 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:46:14,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133900 13390 40.196 -39292 4405.5 -43697 -43697 -0.1539 0.26213 0.094143 65375 2023-02-16 02:46:17,006 INFO [main.py:643]
{rank 0/100} MD step = 134000 step time: 00:00:00.020467 Performance: 315.711 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:46:17,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134000 13400 39.87 -39468 4369.9 -43838 -43838 -0.15463 0.26256 0.093796 65418 2023-02-16 02:46:19,798 INFO [main.py:643]
{rank 0/100} MD step = 134100 step time: 00:00:00.020530 Performance: 315.707 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:46:20,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134100 13410 39.947 -39462 4378.3 -43841 -43841 -0.15532 0.26324 0.093396 65465 2023-02-16 02:46:22,492 INFO [main.py:643]
{rank 0/100} MD step = 134200 step time: 00:00:00.020571 Performance: 315.710 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:46:23,103 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134200 13420 39.469 -39515 4325.8 -43841 -43841 -0.15414 0.26302 0.093986 65520 2023-02-16 02:46:25,128 INFO [main.py:643]
{rank 0/100} MD step = 134300 step time: 00:00:00.020432 Performance: 315.719 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:46:25,758 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134300 13430 39.879 -39447 4370.8 -43818 -43818 -0.15269 0.26337 0.094924 65566 2023-02-16 02:46:27,789 INFO [main.py:643]
{rank 0/100} MD step = 134400 step time: 00:00:00.020498 Performance: 315.725 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:46:28,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134400 13440 40.016 -39420 4385.8 -43806 -43806 -0.15353 0.26402 0.095529 65622 2023-02-16 02:46:30,458 INFO [main.py:643]
{rank 0/100} MD step = 134500 step time: 00:00:00.020467 Performance: 315.731 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:46:30,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134500 13450 39.791 -39484 4361.2 -43845 -43845 -0.15437 0.26478 0.096158 65666 2023-02-16 02:46:33,125 INFO [main.py:643]
{rank 0/100} MD step = 134600 step time: 00:00:00.020277 Performance: 315.737 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:46:33,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134600 13460 39.404 -39516 4318.8 -43835 -43835 -0.15418 0.26434 0.096053 65721 2023-02-16 02:46:35,781 INFO [main.py:643]
{rank 0/100} MD step = 134700 step time: 00:00:00.020477 Performance: 315.744 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:46:36,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134700 13470 40.097 -39430 4394.7 -43825 -43825 -0.15429 0.26366 0.09692 65758 2023-02-16 02:46:38,862 INFO [main.py:643]
{rank 0/100} MD step = 134800 step time: 00:00:00.027299 Performance: 315.715 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:46:39,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134800 13480 39.841 -39421 4366.6 -43788 -43788 -0.15496 0.26402 0.097695 65818 2023-02-16 02:46:41,638 INFO [main.py:643]
{rank 0/100} MD step = 134900 step time: 00:00:00.020343 Performance: 315.711 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:46:42,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134900 13490 39.312 -39578 4308.6 -43887 -43887 -0.15563 0.26322 0.097491 65875 2023-02-16 02:46:44,557 INFO [main.py:643]
{rank 0/100} MD step = 135000 step time: 00:00:00.020404 Performance: 315.696 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:46:45,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135000 13500 40.494 -39392 4438.2 -43830 -43830 -0.15582 0.26323 0.097291 65920 2023-02-16 02:46:47,272 INFO [main.py:643]
{rank 0/100} MD step = 135100 step time: 00:00:00.020831 Performance: 315.697 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:46:47,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135100 13510 39.899 -39410 4373 -43783 -43783 -0.15738 0.26281 0.097172 65979 2023-02-16 02:46:49,950 INFO [main.py:643]
{rank 0/100} MD step = 135200 step time: 00:00:00.030429 Performance: 315.702 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:46:50,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135200 13520 39.764 -39489 4358.2 -43847 -43847 -0.15827 0.26219 0.097777 66017 2023-02-16 02:46:52,634 INFO [main.py:643]
{rank 0/100} MD step = 135300 step time: 00:00:00.020418 Performance: 315.707 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:46:53,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135300 13530 40.494 -39366 4438.2 -43804 -43804 -0.15871 0.26323 0.09791 66065 2023-02-16 02:46:55,348 INFO [main.py:643]
{rank 0/100} MD step = 135400 step time: 00:00:00.020420 Performance: 315.709 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:46:55,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135400 13540 40.382 -39441 4426 -43867 -43867 -0.15897 0.26311 0.098048 66110 2023-02-16 02:46:58,006 INFO [main.py:643]
{rank 0/100} MD step = 135500 step time: 00:00:00.020572 Performance: 315.716 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:46:58,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135500 13550 39.731 -39461 4354.6 -43815 -43815 -0.15944 0.26249 0.098367 66169 2023-02-16 02:47:00,702 INFO [main.py:643]
{rank 0/100} MD step = 135600 step time: 00:00:00.020430 Performance: 315.719 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:47:01,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135600 13560 40.371 -39381 4424.7 -43806 -43806 -0.15925 0.26299 0.098606 66218 2023-02-16 02:47:03,359 INFO [main.py:643]
{rank 0/100} MD step = 135700 step time: 00:00:00.020513 Performance: 315.726 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:47:03,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135700 13570 39.995 -39515 4383.6 -43898 -43898 -0.1596 0.26348 0.098477 66255 2023-02-16 02:47:06,002 INFO [main.py:643]
{rank 0/100} MD step = 135800 step time: 00:00:00.020498 Performance: 315.734 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:47:06,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135800 13580 39.715 -39501 4352.8 -43854 -43854 -0.15856 0.26384 0.098615 66301 2023-02-16 02:47:08,646 INFO [main.py:643]
{rank 0/100} MD step = 135900 step time: 00:00:00.020441 Performance: 315.742 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:47:09,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135900 13590 40.274 -39400 4414.1 -43814 -43814 -0.1578 0.26401 0.098539 66365 2023-02-16 02:47:11,332 INFO [main.py:643]
{rank 0/100} MD step = 136000 step time: 00:00:00.020405 Performance: 315.746 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:47:11,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136000 13600 40.374 -39439 4425.1 -43864 -43864 -0.15876 0.26455 0.09832 66398 2023-02-16 02:47:14,067 INFO [main.py:643]
{rank 0/100} MD step = 136100 step time: 00:00:00.020547 Performance: 315.746 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:47:14,716 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136100 13610 40.118 -39489 4396.9 -43886 -43886 -0.15894 0.26598 0.099406 66461 2023-02-16 02:47:16,743 INFO [main.py:643]
{rank 0/100} MD step = 136200 step time: 00:00:00.020552 Performance: 315.751 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:47:17,443 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136200 13620 40.433 -39344 4431.5 -43776 -43776 -0.15896 0.2655 0.099977 66510 2023-02-16 02:47:19,529 INFO [main.py:643]
{rank 0/100} MD step = 136300 step time: 00:00:00.020425 Performance: 315.747 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:47:20,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136300 13630 40.272 -39441 4413.9 -43855 -43855 -0.15948 0.26599 0.09942 66550 2023-02-16 02:47:22,203 INFO [main.py:643]
{rank 0/100} MD step = 136400 step time: 00:00:00.020552 Performance: 315.752 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:47:22,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136400 13640 39.69 -39544 4350 -43894 -43894 -0.15877 0.26678 0.10048 66599 2023-02-16 02:47:24,921 INFO [main.py:643]
{rank 0/100} MD step = 136500 step time: 00:00:00.020499 Performance: 315.754 ns/day 0.076 hours/ns 36.546 steps/s 2023-02-16 02:47:25,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136500 13650 40.35 -39382 4422.4 -43804 -43804 -0.15917 0.2663 0.10103 66652 2023-02-16 02:47:27,680 INFO [main.py:643]
{rank 0/100} MD step = 136600 step time: 00:00:00.020583 Performance: 315.752 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:47:28,144 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136600 13660 40.192 -39436 4405.1 -43841 -43841 -0.15961 0.2664 0.10027 66700 2023-02-16 02:47:30,352 INFO [main.py:643]
{rank 0/100} MD step = 136700 step time: 00:00:00.020477 Performance: 315.757 ns/day 0.076 hours/ns 36.546 steps/s 2023-02-16 02:47:31,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136700 13670 40.219 -39403 4408.1 -43811 -43811 -0.15909 0.26744 0.10065 66741 2023-02-16 02:47:33,159 INFO [main.py:643]
{rank 0/100} MD step = 136800 step time: 00:00:00.020436 Performance: 315.751 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:47:35,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136800 13680 40.606 -39453 4450.5 -43904 -43904 -0.15993 0.26733 0.099834 66797 2023-02-16 02:47:37,378 INFO [main.py:643]
{rank 0/100} MD step = 136900 step time: 00:00:00.020451 Performance: 315.626 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:47:38,007 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136900 13690 39.409 -39605 4319.3 -43924 -43924 -0.16028 0.26762 0.099787 66841 2023-02-16 02:47:40,056 INFO [main.py:643]
{rank 0/100} MD step = 137000 step time: 00:00:00.020303 Performance: 315.631 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:47:40,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137000 13700 40.202 -39346 4406.2 -43752 -43752 -0.16029 0.26826 0.099796 66907 2023-02-16 02:47:42,735 INFO [main.py:643]
{rank 0/100} MD step = 137100 step time: 00:00:00.020736 Performance: 315.636 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:47:43,414 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137100 13710 39.928 -39452 4376.1 -43828 -43828 -0.16075 0.26813 0.099272 66954 2023-02-16 02:47:45,438 INFO [main.py:643]
{rank 0/100} MD step = 137200 step time: 00:00:00.020333 Performance: 315.639 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:47:45,978 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137200 13720 40.051 -39452 4389.6 -43842 -43842 -0.16065 0.26815 0.099472 67012 2023-02-16 02:47:48,126 INFO [main.py:643]
{rank 0/100} MD step = 137300 step time: 00:00:00.020385 Performance: 315.643 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:47:48,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137300 13730 40.967 -39382 4490.1 -43872 -43872 -0.16119 0.26841 0.099034 67074 2023-02-16 02:47:50,804 INFO [main.py:643]
{rank 0/100} MD step = 137400 step time: 00:00:00.020372 Performance: 315.648 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:47:51,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137400 13740 39.77 -39511 4358.8 -43870 -43870 -0.16096 0.26853 0.099034 67111 2023-02-16 02:47:53,475 INFO [main.py:643]
{rank 0/100} MD step = 137500 step time: 00:00:00.020376 Performance: 315.654 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:47:54,041 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137500 13750 39.643 -39450 4344.9 -43795 -43795 -0.16224 0.26899 0.098834 67169 2023-02-16 02:47:56,127 INFO [main.py:643]
{rank 0/100} MD step = 137600 step time: 00:00:00.020474 Performance: 315.661 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:47:56,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137600 13760 39.714 -39524 4352.7 -43877 -43877 -0.16127 0.26956 0.098825 67221 2023-02-16 02:47:58,868 INFO [main.py:643]
{rank 0/100} MD step = 137700 step time: 00:00:00.020490 Performance: 315.661 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:47:59,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137700 13770 40.242 -39432 4410.5 -43842 -43842 -0.16123 0.26875 0.098177 67262 2023-02-16 02:48:01,573 INFO [main.py:643]
{rank 0/100} MD step = 137800 step time: 00:00:00.020423 Performance: 315.663 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:02,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137800 13780 40.02 -39517 4386.3 -43904 -43904 -0.1609 0.26857 0.098758 67297 2023-02-16 02:48:04,317 INFO [main.py:643]
{rank 0/100} MD step = 137900 step time: 00:00:00.020420 Performance: 315.663 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:04,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137900 13790 40.252 -39405 4411.6 -43817 -43817 -0.16054 0.26841 0.099225 67370 2023-02-16 02:48:06,967 INFO [main.py:643]
{rank 0/100} MD step = 138000 step time: 00:00:00.020403 Performance: 315.670 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:48:07,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138000 13800 40.431 -39462 4431.3 -43893 -43893 -0.16111 0.26878 0.098791 67411 2023-02-16 02:48:09,843 INFO [main.py:643]
{rank 0/100} MD step = 138100 step time: 00:00:00.020414 Performance: 315.658 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:10,445 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138100 13810 39.566 -39477 4336.5 -43814 -43814 -0.16231 0.26959 0.09871 67469 2023-02-16 02:48:12,529 INFO [main.py:643]
{rank 0/100} MD step = 138200 step time: 00:00:00.020432 Performance: 315.663 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:13,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138200 13820 40.207 -39400 4406.8 -43807 -43807 -0.16224 0.2698 0.098758 67508 2023-02-16 02:48:15,289 INFO [main.py:643]
{rank 0/100} MD step = 138300 step time: 00:00:00.020446 Performance: 315.661 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:15,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138300 13830 39.481 -39524 4327.2 -43851 -43851 -0.1623 0.26971 0.098386 67550 2023-02-16 02:48:18,022 INFO [main.py:643]
{rank 0/100} MD step = 138400 step time: 00:00:00.020412 Performance: 315.661 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:18,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138400 13840 40.012 -39500 4385.3 -43886 -43886 -0.16165 0.27059 0.098548 67598 2023-02-16 02:48:20,711 INFO [main.py:643]
{rank 0/100} MD step = 138500 step time: 00:00:00.020444 Performance: 315.665 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:21,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138500 13850 39.558 -39523 4335.6 -43859 -43859 -0.16279 0.27099 0.098701 67651 2023-02-16 02:48:23,473 INFO [main.py:643]
{rank 0/100} MD step = 138600 step time: 00:00:00.020515 Performance: 315.663 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:24,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138600 13860 40.068 -39428 4391.5 -43820 -43820 -0.16293 0.27228 0.098796 67696 2023-02-16 02:48:26,199 INFO [main.py:643]
{rank 0/100} MD step = 138700 step time: 00:00:00.020599 Performance: 315.664 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:48:26,686 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138700 13870 40.068 -39426 4391.5 -43817 -43817 -0.1617 0.27234 0.098767 67750 2023-02-16 02:48:28,837 INFO [main.py:643]
{rank 0/100} MD step = 138800 step time: 00:00:00.020317 Performance: 315.672 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:48:29,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138800 13880 40.28 -39445 4414.8 -43860 -43860 -0.1602 0.27272 0.098139 67805 2023-02-16 02:48:31,518 INFO [main.py:643]
{rank 0/100} MD step = 138900 step time: 00:00:00.020463 Performance: 315.677 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:48:32,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138900 13890 39.503 -39474 4329.6 -43803 -43803 -0.15939 0.27302 0.097263 67843 2023-02-16 02:48:34,167 INFO [main.py:643]
{rank 0/100} MD step = 139000 step time: 00:00:00.020474 Performance: 315.684 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:48:34,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139000 13900 40.474 -39446 4436.1 -43882 -43882 -0.15806 0.27405 0.097834 67881 2023-02-16 02:48:36,844 INFO [main.py:643]
{rank 0/100} MD step = 139100 step time: 00:00:00.020456 Performance: 315.689 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:48:37,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139100 13910 40.24 -39513 4410.4 -43923 -43923 -0.15895 0.27443 0.096444 67939 2023-02-16 02:48:39,514 INFO [main.py:643]
{rank 0/100} MD step = 139200 step time: 00:00:00.020342 Performance: 315.695 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:48:40,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139200 13920 40.296 -39484 4416.5 -43900 -43900 -0.1572 0.27503 0.096805 67979 2023-02-16 02:48:42,135 INFO [main.py:643]
{rank 0/100} MD step = 139300 step time: 00:00:00.020452 Performance: 315.704 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:48:42,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139300 13930 39.834 -39440 4365.8 -43806 -43806 -0.15818 0.27523 0.097015 68037 2023-02-16 02:48:44,790 INFO [main.py:643]
{rank 0/100} MD step = 139400 step time: 00:00:00.020247 Performance: 315.711 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:48:45,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139400 13940 39.811 -39512 4363.4 -43875 -43875 -0.15939 0.2751 0.097491 68097 2023-02-16 02:48:47,521 INFO [main.py:643]
{rank 0/100} MD step = 139500 step time: 00:00:00.020346 Performance: 315.712 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:48:48,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139500 13950 40.063 -39465 4391 -43856 -43856 -0.15996 0.27571 0.097225 68137 2023-02-16 02:48:50,241 INFO [main.py:643]
{rank 0/100} MD step = 139600 step time: 00:00:00.020352 Performance: 315.713 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:48:50,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139600 13960 40.005 -39417 4384.6 -43802 -43802 -0.1605 0.27623 0.097701 68198 2023-02-16 02:48:52,909 INFO [main.py:643]
{rank 0/100} MD step = 139700 step time: 00:00:00.020945 Performance: 315.719 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:48:53,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139700 13970 40.144 -39486 4399.8 -43886 -43886 -0.1601 0.27722 0.097929 68240 2023-02-16 02:48:55,613 INFO [main.py:643]
{rank 0/100} MD step = 139800 step time: 00:00:00.020508 Performance: 315.721 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:48:56,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139800 13980 40.242 -39389 4410.6 -43800 -43800 -0.15962 0.27733 0.098201 68286 2023-02-16 02:48:58,322 INFO [main.py:643]
{rank 0/100} MD step = 139900 step time: 00:00:00.022165 Performance: 315.724 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:48:58,967 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139900 13990 39.666 -39483 4347.5 -43830 -43830 -0.1606 0.27783 0.097015 68329 2023-02-16 02:49:00,995 INFO [main.py:643]
{rank 0/100} MD step = 140000 step time: 00:00:00.020416 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:49:01,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140000 14000 40.357 -39479 4423.1 -43902 -43902 -0.16186 0.27834 0.097244 68382 2023-02-16 02:49:03,663 INFO [main.py:643]
{rank 0/100} MD step = 140100 step time: 00:00:00.020464 Performance: 315.734 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:49:04,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140100 14010 39.609 -39535 4341.2 -43876 -43876 -0.16215 0.27727 0.098015 68417 2023-02-16 02:49:06,348 INFO [main.py:643]
{rank 0/100} MD step = 140200 step time: 00:00:00.020356 Performance: 315.739 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:49:07,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140200 14020 40.217 -39412 4407.8 -43820 -43820 -0.16165 0.2771 0.097253 68469 2023-02-16 02:49:09,127 INFO [main.py:643]
{rank 0/100} MD step = 140300 step time: 00:00:00.020440 Performance: 315.735 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:49:09,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140300 14030 40.1 -39462 4395 -43857 -43857 -0.16277 0.27766 0.096639 68510 2023-02-16 02:49:11,928 INFO [main.py:643]
{rank 0/100} MD step = 140400 step time: 00:00:00.020454 Performance: 315.730 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:49:12,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140400 14040 39.788 -39383 4360.8 -43744 -43744 -0.163 0.27818 0.096424 68553 2023-02-16 02:49:14,865 INFO [main.py:643]
{rank 0/100} MD step = 140500 step time: 00:00:00.020541 Performance: 315.713 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:49:15,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140500 14050 39.876 -39470 4370.5 -43840 -43840 -0.16364 0.27788 0.095767 68616 2023-02-16 02:49:17,824 INFO [main.py:643]
{rank 0/100} MD step = 140600 step time: 00:00:00.020326 Performance: 315.695 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:49:18,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140600 14060 40.471 -39388 4435.7 -43824 -43824 -0.16174 0.27909 0.096301 68669 2023-02-16 02:49:20,530 INFO [main.py:643]
{rank 0/100} MD step = 140700 step time: 00:00:00.020560 Performance: 315.698 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:49:21,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140700 14070 40.011 -39465 4385.2 -43850 -43850 -0.16154 0.27963 0.096672 68703 2023-02-16 02:49:23,205 INFO [main.py:643]
{rank 0/100} MD step = 140800 step time: 00:00:00.020512 Performance: 315.703 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:49:23,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140800 14080 40.039 -39504 4388.3 -43892 -43892 -0.16271 0.2799 0.096863 68746 2023-02-16 02:49:25,941 INFO [main.py:643]
{rank 0/100} MD step = 140900 step time: 00:00:00.020389 Performance: 315.703 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:49:26,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140900 14090 40.065 -39421 4391.2 -43812 -43812 -0.1624 0.28048 0.096234 68807 2023-02-16 02:49:29,048 INFO [main.py:643]
{rank 0/100} MD step = 141000 step time: 00:00:00.020409 Performance: 315.672 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:49:29,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141000 14100 40.077 -39421 4392.5 -43814 -43814 -0.16234 0.28044 0.097144 68850 2023-02-16 02:49:31,730 INFO [main.py:643]
{rank 0/100} MD step = 141100 step time: 00:00:00.020441 Performance: 315.677 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:49:32,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141100 14110 39.451 -39526 4323.9 -43850 -43850 -0.16298 0.28106 0.097958 68896 2023-02-16 02:49:34,434 INFO [main.py:643]
{rank 0/100} MD step = 141200 step time: 00:00:00.020458 Performance: 315.680 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:49:34,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141200 14120 40.251 -39396 4411.5 -43807 -43807 -0.16341 0.28136 0.098158 68964 2023-02-16 02:49:37,199 INFO [main.py:643]
{rank 0/100} MD step = 141300 step time: 00:00:00.020550 Performance: 315.677 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:49:37,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141300 14130 39.918 -39529 4375.1 -43904 -43904 -0.16437 0.28136 0.098177 69007 2023-02-16 02:49:39,850 INFO [main.py:643]
{rank 0/100} MD step = 141400 step time: 00:00:00.020360 Performance: 315.684 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:49:40,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141400 14140 39.511 -39551 4330.5 -43882 -43882 -0.16478 0.28156 0.098653 69052 2023-02-16 02:49:42,508 INFO [main.py:643]
{rank 0/100} MD step = 141500 step time: 00:00:00.020401 Performance: 315.691 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:49:43,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141500 14150 39.985 -39544 4382.4 -43927 -43927 -0.16475 0.28078 0.098082 69097 2023-02-16 02:49:45,193 INFO [main.py:643]
{rank 0/100} MD step = 141600 step time: 00:00:00.020363 Performance: 315.695 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:49:45,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141600 14160 40.319 -39382 4419 -43801 -43801 -0.16584 0.28082 0.10012 69145 2023-02-16 02:49:47,847 INFO [main.py:643]
{rank 0/100} MD step = 141700 step time: 00:00:00.020994 Performance: 315.702 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:49:48,547 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141700 14170 40.411 -39485 4429.1 -43914 -43914 -0.16668 0.28183 0.10102 69191 2023-02-16 02:49:50,574 INFO [main.py:643]
{rank 0/100} MD step = 141800 step time: 00:00:00.020477 Performance: 315.703 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:49:51,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141800 14180 40.009 -39454 4385.1 -43840 -43840 -0.16633 0.28223 0.10067 69235 2023-02-16 02:49:53,248 INFO [main.py:643]
{rank 0/100} MD step = 141900 step time: 00:00:00.020588 Performance: 315.708 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:49:53,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141900 14190 39.976 -39490 4381.5 -43871 -43871 -0.16692 0.28285 0.10176 69285 2023-02-16 02:49:56,046 INFO [main.py:643]
{rank 0/100} MD step = 142000 step time: 00:00:00.020608 Performance: 315.703 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:49:56,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142000 14200 40.248 -39445 4411.2 -43856 -43856 -0.16664 0.28161 0.1021 69347 2023-02-16 02:49:58,773 INFO [main.py:643]
{rank 0/100} MD step = 142100 step time: 00:00:00.020395 Performance: 315.704 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:49:59,605 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142100 14210 39.504 -39452 4329.6 -43782 -43782 -0.16601 0.2815 0.10117 69385 2023-02-16 02:50:01,635 INFO [main.py:643]
{rank 0/100} MD step = 142200 step time: 00:00:00.020429 Performance: 315.693 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:50:02,364 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142200 14220 40.428 -39347 4430.9 -43778 -43778 -0.16624 0.282 0.10108 69431 2023-02-16 02:50:04,401 INFO [main.py:643]
{rank 0/100} MD step = 142300 step time: 00:00:00.020485 Performance: 315.691 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:50:08,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142300 14230 39.665 -39486 4347.4 -43833 -43833 -0.16759 0.28249 0.10071 69471 2023-02-16 02:50:10,105 INFO [main.py:643]
{rank 0/100} MD step = 142400 step time: 00:00:00.020359 Performance: 315.451 ns/day 0.076 hours/ns 36.511 steps/s 2023-02-16 02:50:10,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142400 14240 39.733 -39423 4354.8 -43777 -43777 -0.16822 0.28316 0.10153 69536 2023-02-16 02:50:12,796 INFO [main.py:643]
{rank 0/100} MD step = 142500 step time: 00:00:00.020451 Performance: 315.455 ns/day 0.076 hours/ns 36.511 steps/s 2023-02-16 02:50:13,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142500 14250 39.469 -39464 4325.9 -43790 -43790 -0.16911 0.28286 0.10134 69593 2023-02-16 02:50:15,439 INFO [main.py:643]
{rank 0/100} MD step = 142600 step time: 00:00:00.020696 Performance: 315.462 ns/day 0.076 hours/ns 36.512 steps/s 2023-02-16 02:50:16,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142600 14260 39.883 -39456 4371.2 -43827 -43827 -0.16976 0.28346 0.10176 69642 2023-02-16 02:50:18,112 INFO [main.py:643]
{rank 0/100} MD step = 142700 step time: 00:00:00.020500 Performance: 315.468 ns/day 0.076 hours/ns 36.512 steps/s 2023-02-16 02:50:18,716 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142700 14270 40.417 -39452 4429.8 -43882 -43882 -0.17059 0.28444 0.10188 69697 2023-02-16 02:50:20,804 INFO [main.py:643]
{rank 0/100} MD step = 142800 step time: 00:00:00.020417 Performance: 315.472 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:50:21,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142800 14280 40.504 -39367 4439.3 -43806 -43806 -0.17212 0.28387 0.10122 69770 2023-02-16 02:50:23,504 INFO [main.py:643]
{rank 0/100} MD step = 142900 step time: 00:00:00.020403 Performance: 315.475 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:50:24,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142900 14290 40.075 -39449 4392.2 -43841 -43841 -0.17264 0.28586 0.10176 69802 2023-02-16 02:50:26,292 INFO [main.py:643]
{rank 0/100} MD step = 143000 step time: 00:00:00.020491 Performance: 315.471 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:50:26,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143000 14300 40.123 -39394 4397.6 -43792 -43792 -0.17102 0.28683 0.10144 69847 2023-02-16 02:50:29,049 INFO [main.py:643]
{rank 0/100} MD step = 143100 step time: 00:00:00.020345 Performance: 315.469 ns/day 0.076 hours/ns 36.513 steps/s 2023-02-16 02:50:29,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143100 14310 39.585 -39504 4338.5 -43842 -43842 -0.17051 0.28735 0.10105 69898 2023-02-16 02:50:31,675 INFO [main.py:643]
{rank 0/100} MD step = 143200 step time: 00:00:00.020555 Performance: 315.478 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:50:32,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143200 14320 40.026 -39560 4386.9 -43947 -43947 -0.17164 0.28678 0.10157 69954 2023-02-16 02:50:34,380 INFO [main.py:643]
{rank 0/100} MD step = 143300 step time: 00:00:00.020295 Performance: 315.481 ns/day 0.076 hours/ns 36.514 steps/s 2023-02-16 02:50:34,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143300 14330 39.402 -39503 4318.6 -43821 -43821 -0.17157 0.28717 0.10162 69991 2023-02-16 02:50:37,046 INFO [main.py:643]
{rank 0/100} MD step = 143400 step time: 00:00:00.020524 Performance: 315.487 ns/day 0.076 hours/ns 36.515 steps/s 2023-02-16 02:50:37,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143400 14340 40.172 -39452 4402.9 -43855 -43855 -0.17297 0.28735 0.10247 70042 2023-02-16 02:50:39,698 INFO [main.py:643]
{rank 0/100} MD step = 143500 step time: 00:00:00.020444 Performance: 315.494 ns/day 0.076 hours/ns 36.515 steps/s 2023-02-16 02:50:40,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143500 14350 40.379 -39428 4425.6 -43853 -43853 -0.17499 0.28695 0.10176 70107 2023-02-16 02:50:42,363 INFO [main.py:643]
{rank 0/100} MD step = 143600 step time: 00:00:00.020430 Performance: 315.500 ns/day 0.076 hours/ns 36.516 steps/s 2023-02-16 02:50:43,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143600 14360 40.241 -39422 4410.4 -43833 -43833 -0.17357 0.28726 0.1012 70140 2023-02-16 02:50:45,054 INFO [main.py:643]
{rank 0/100} MD step = 143700 step time: 00:00:00.020510 Performance: 315.504 ns/day 0.076 hours/ns 36.517 steps/s 2023-02-16 02:50:45,555 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143700 14370 39.985 -39492 4382.4 -43875 -43875 -0.17443 0.28732 0.10126 70183 2023-02-16 02:50:47,685 INFO [main.py:643]
{rank 0/100} MD step = 143800 step time: 00:00:00.020488 Performance: 315.512 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:50:48,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143800 14380 40.243 -39340 4410.7 -43751 -43751 -0.17456 0.28704 0.10186 70241 2023-02-16 02:50:50,323 INFO [main.py:643]
{rank 0/100} MD step = 143900 step time: 00:00:00.020405 Performance: 315.520 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:50:50,937 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143900 14390 40.057 -39477 4390.3 -43867 -43867 -0.17586 0.28686 0.10116 70274 2023-02-16 02:50:52,976 INFO [main.py:643]
{rank 0/100} MD step = 144000 step time: 00:00:00.020458 Performance: 315.527 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:50:53,598 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144000 14400 39.408 -39541 4319.2 -43861 -43861 -0.1766 0.28651 0.1002 70330 2023-02-16 02:50:55,657 INFO [main.py:643]
{rank 0/100} MD step = 144100 step time: 00:00:00.020410 Performance: 315.532 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:50:56,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144100 14410 40.453 -39373 4433.7 -43806 -43806 -0.17666 0.28669 0.10006 70372 2023-02-16 02:50:58,359 INFO [main.py:643]
{rank 0/100} MD step = 144200 step time: 00:00:00.022095 Performance: 315.534 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:50:59,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144200 14420 39.135 -39502 4289.2 -43791 -43791 -0.17719 0.28664 0.09921 70421 2023-02-16 02:51:01,125 INFO [main.py:643]
{rank 0/100} MD step = 144300 step time: 00:00:00.020424 Performance: 315.532 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:51:01,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144300 14430 40.197 -39422 4405.7 -43827 -43827 -0.17829 0.28708 0.099663 70463 2023-02-16 02:51:03,836 INFO [main.py:643]
{rank 0/100} MD step = 144400 step time: 00:00:00.020220 Performance: 315.534 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:51:04,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144400 14440 40.352 -39398 4422.7 -43820 -43820 -0.17793 0.28758 0.099372 70545 2023-02-16 02:51:06,899 INFO [main.py:643]
{rank 0/100} MD step = 144500 step time: 00:00:00.020418 Performance: 315.509 ns/day 0.076 hours/ns 36.517 steps/s 2023-02-16 02:51:07,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144500 14450 40.144 -39407 4399.8 -43807 -43807 -0.17871 0.2868 0.099968 70587 2023-02-16 02:51:09,743 INFO [main.py:643]
{rank 0/100} MD step = 144600 step time: 00:00:00.020568 Performance: 315.500 ns/day 0.076 hours/ns 36.516 steps/s 2023-02-16 02:51:10,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144600 14460 39.556 -39419 4335.4 -43754 -43754 -0.17907 0.28723 0.098872 70630 2023-02-16 02:51:12,393 INFO [main.py:643]
{rank 0/100} MD step = 144700 step time: 00:00:00.020270 Performance: 315.507 ns/day 0.076 hours/ns 36.517 steps/s 2023-02-16 02:51:12,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144700 14470 40.533 -39370 4442.4 -43812 -43812 -0.17861 0.28786 0.099225 70683 2023-02-16 02:51:15,080 INFO [main.py:643]
{rank 0/100} MD step = 144800 step time: 00:00:00.020315 Performance: 315.511 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:51:15,785 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144800 14480 40.09 -39520 4393.9 -43914 -43914 -0.17869 0.28882 0.099472 70734 2023-02-16 02:51:17,828 INFO [main.py:643]
{rank 0/100} MD step = 144900 step time: 00:00:00.020544 Performance: 315.510 ns/day 0.076 hours/ns 36.517 steps/s 2023-02-16 02:51:18,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144900 14490 39.522 -39554 4331.7 -43886 -43886 -0.17677 0.28916 0.099296 70775 2023-02-16 02:51:20,539 INFO [main.py:643]
{rank 0/100} MD step = 145000 step time: 00:00:00.020461 Performance: 315.513 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:51:21,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145000 14500 39.869 -39532 4369.6 -43902 -43902 -0.17647 0.28925 0.099948 70812 2023-02-16 02:51:23,280 INFO [main.py:643]
{rank 0/100} MD step = 145100 step time: 00:00:00.020369 Performance: 315.512 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:51:23,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145100 14510 40.074 -39485 4392.2 -43877 -43877 -0.17673 0.28944 0.1004 70872 2023-02-16 02:51:25,944 INFO [main.py:643]
{rank 0/100} MD step = 145200 step time: 00:00:00.020369 Performance: 315.518 ns/day 0.076 hours/ns 36.518 steps/s 2023-02-16 02:51:26,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145200 14520 39.941 -39503 4377.6 -43880 -43880 -0.17649 0.28983 0.099729 70912 2023-02-16 02:51:28,627 INFO [main.py:643]
{rank 0/100} MD step = 145300 step time: 00:00:00.020335 Performance: 315.523 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:51:29,010 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145300 14530 39.782 -39476 4360.2 -43836 -43836 -0.17804 0.28988 0.099396 70968 2023-02-16 02:51:31,322 INFO [main.py:643]
{rank 0/100} MD step = 145400 step time: 00:00:00.020411 Performance: 315.526 ns/day 0.076 hours/ns 36.519 steps/s 2023-02-16 02:51:31,827 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145400 14540 40.102 -39507 4395.2 -43902 -43902 -0.1783 0.29042 0.099872 70999 2023-02-16 02:51:33,963 INFO [main.py:643]
{rank 0/100} MD step = 145500 step time: 00:00:00.020458 Performance: 315.534 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:51:34,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145500 14550 40.089 -39401 4393.8 -43795 -43795 -0.1784 0.29073 0.10073 71059 2023-02-16 02:51:36,691 INFO [main.py:643]
{rank 0/100} MD step = 145600 step time: 00:00:00.020586 Performance: 315.535 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:51:37,404 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145600 14560 40.177 -39425 4403.4 -43828 -43828 -0.17931 0.29026 0.10068 71097 2023-02-16 02:51:39,455 INFO [main.py:643]
{rank 0/100} MD step = 145700 step time: 00:00:00.020568 Performance: 315.533 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:51:40,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145700 14570 40.223 -39419 4408.5 -43828 -43828 -0.17915 0.29053 0.099244 71156 2023-02-16 02:51:42,095 INFO [main.py:643]
{rank 0/100} MD step = 145800 step time: 00:00:00.020501 Performance: 315.540 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:51:42,861 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145800 14580 39.884 -39425 4371.3 -43797 -43797 -0.18008 0.28981 0.099806 71214 2023-02-16 02:51:44,895 INFO [main.py:643]
{rank 0/100} MD step = 145900 step time: 00:00:00.020411 Performance: 315.536 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:51:45,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145900 14590 40.269 -39427 4413.5 -43840 -43840 -0.18076 0.28996 0.097815 71244 2023-02-16 02:51:47,653 INFO [main.py:643]
{rank 0/100} MD step = 146000 step time: 00:00:00.020496 Performance: 315.534 ns/day 0.076 hours/ns 36.520 steps/s 2023-02-16 02:51:48,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146000 14600 40.167 -39483 4402.4 -43886 -43886 -0.17931 0.28962 0.097977 71307 2023-02-16 02:51:50,334 INFO [main.py:643]
{rank 0/100} MD step = 146100 step time: 00:00:00.020363 Performance: 315.539 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:51:51,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146100 14610 40.134 -39383 4398.8 -43782 -43782 -0.17837 0.29045 0.096577 71348 2023-02-16 02:51:53,045 INFO [main.py:643]
{rank 0/100} MD step = 146200 step time: 00:00:00.020429 Performance: 315.541 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:51:53,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146200 14620 40.19 -39406 4404.9 -43811 -43811 -0.17915 0.29092 0.096948 71408 2023-02-16 02:51:55,685 INFO [main.py:643]
{rank 0/100} MD step = 146300 step time: 00:00:00.020464 Performance: 315.548 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:51:56,316 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146300 14630 40.541 -39428 4443.4 -43871 -43871 -0.17864 0.29208 0.097167 71459 2023-02-16 02:51:58,387 INFO [main.py:643]
{rank 0/100} MD step = 146400 step time: 00:00:00.021945 Performance: 315.551 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:51:59,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146400 14640 39.894 -39424 4372.5 -43797 -43797 -0.1784 0.29167 0.096815 71509 2023-02-16 02:52:01,079 INFO [main.py:643]
{rank 0/100} MD step = 146500 step time: 00:00:00.020466 Performance: 315.555 ns/day 0.076 hours/ns 36.523 steps/s 2023-02-16 02:52:01,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146500 14650 39.638 -39540 4344.3 -43884 -43884 -0.17868 0.29139 0.097282 71557 2023-02-16 02:52:03,748 INFO [main.py:643]
{rank 0/100} MD step = 146600 step time: 00:00:00.020469 Performance: 315.560 ns/day 0.076 hours/ns 36.523 steps/s 2023-02-16 02:52:04,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146600 14660 39.585 -39385 4338.6 -43724 -43724 -0.17795 0.29147 0.097739 71640 2023-02-16 02:52:06,414 INFO [main.py:643]
{rank 0/100} MD step = 146700 step time: 00:00:00.020458 Performance: 315.566 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:52:06,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146700 14670 39.753 -39451 4356.9 -43808 -43808 -0.17911 0.29045 0.097644 71661 2023-02-16 02:52:09,110 INFO [main.py:643]
{rank 0/100} MD step = 146800 step time: 00:00:00.020468 Performance: 315.569 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:52:09,827 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146800 14680 39.957 -39368 4379.4 -43748 -43748 -0.17919 0.29004 0.096882 71728 2023-02-16 02:52:11,853 INFO [main.py:643]
{rank 0/100} MD step = 146900 step time: 00:00:00.020627 Performance: 315.569 ns/day 0.076 hours/ns 36.524 steps/s 2023-02-16 02:52:12,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146900 14690 39.814 -39522 4363.7 -43886 -43886 -0.1789 0.29113 0.096863 71781 2023-02-16 02:52:14,500 INFO [main.py:643]
{rank 0/100} MD step = 147000 step time: 00:00:00.020449 Performance: 315.576 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:52:15,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147000 14700 40.303 -39448 4417.3 -43865 -43865 -0.17868 0.29093 0.097453 71818 2023-02-16 02:52:17,204 INFO [main.py:643]
{rank 0/100} MD step = 147100 step time: 00:00:00.020580 Performance: 315.579 ns/day 0.076 hours/ns 36.525 steps/s 2023-02-16 02:52:17,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147100 14710 40.11 -39459 4396.1 -43855 -43855 -0.17967 0.29133 0.09711 71877 2023-02-16 02:52:19,879 INFO [main.py:643]
{rank 0/100} MD step = 147200 step time: 00:00:00.020411 Performance: 315.583 ns/day 0.076 hours/ns 36.526 steps/s 2023-02-16 02:52:20,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147200 14720 39.772 -39498 4359 -43857 -43857 -0.18004 0.29146 0.097758 71910 2023-02-16 02:52:22,597 INFO [main.py:643]
{rank 0/100} MD step = 147300 step time: 00:00:00.020415 Performance: 315.585 ns/day 0.076 hours/ns 36.526 steps/s 2023-02-16 02:52:23,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147300 14730 40.322 -39328 4419.4 -43747 -43747 -0.1798 0.29191 0.098044 71980 2023-02-16 02:52:25,287 INFO [main.py:643]
{rank 0/100} MD step = 147400 step time: 00:00:00.020428 Performance: 315.589 ns/day 0.076 hours/ns 36.526 steps/s 2023-02-16 02:52:25,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147400 14740 39.527 -39546 4332.2 -43878 -43878 -0.18021 0.29196 0.098329 72010 2023-02-16 02:52:28,007 INFO [main.py:643]
{rank 0/100} MD step = 147500 step time: 00:00:00.020457 Performance: 315.590 ns/day 0.076 hours/ns 36.527 steps/s 2023-02-16 02:52:28,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147500 14750 40.438 -39426 4432.1 -43858 -43858 -0.18141 0.29293 0.097663 72066 2023-02-16 02:52:30,732 INFO [main.py:643]
{rank 0/100} MD step = 147600 step time: 00:00:00.020432 Performance: 315.591 ns/day 0.076 hours/ns 36.527 steps/s 2023-02-16 02:52:31,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147600 14760 40.892 -39334 4481.8 -43816 -43816 -0.18197 0.29374 0.098329 72120 2023-02-16 02:52:33,417 INFO [main.py:643]
{rank 0/100} MD step = 147700 step time: 00:00:00.020389 Performance: 315.595 ns/day 0.076 hours/ns 36.527 steps/s 2023-02-16 02:52:34,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147700 14770 39.075 -39558 4282.7 -43841 -43841 -0.18041 0.29364 0.098434 72171 2023-02-16 02:52:36,061 INFO [main.py:643]
{rank 0/100} MD step = 147800 step time: 00:00:00.020460 Performance: 315.603 ns/day 0.076 hours/ns 36.528 steps/s 2023-02-16 02:52:36,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147800 14780 39.767 -39460 4358.5 -43818 -43818 -0.18062 0.29413 0.097015 72196 2023-02-16 02:52:38,801 INFO [main.py:643]
{rank 0/100} MD step = 147900 step time: 00:00:00.020472 Performance: 315.602 ns/day 0.076 hours/ns 36.528 steps/s 2023-02-16 02:52:39,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147900 14790 40.396 -39391 4427.4 -43819 -43819 -0.18252 0.2949 0.09632 72243 2023-02-16 02:52:41,477 INFO [main.py:643]
{rank 0/100} MD step = 148000 step time: 00:00:00.020497 Performance: 315.607 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:52:42,014 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148000 14800 39.048 -39676 4279.7 -43956 -43956 -0.18231 0.29528 0.097758 72294 2023-02-16 02:52:44,181 INFO [main.py:643]
{rank 0/100} MD step = 148100 step time: 00:00:00.020429 Performance: 315.610 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:52:44,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148100 14810 39.941 -39390 4377.5 -43767 -43767 -0.18188 0.29538 0.097815 72348 2023-02-16 02:52:46,887 INFO [main.py:643]
{rank 0/100} MD step = 148200 step time: 00:00:00.020363 Performance: 315.612 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:52:47,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148200 14820 40.159 -39414 4401.5 -43816 -43816 -0.18142 0.29494 0.097253 72394 2023-02-16 02:52:49,605 INFO [main.py:643]
{rank 0/100} MD step = 148300 step time: 00:00:00.020467 Performance: 315.614 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:52:50,318 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148300 14830 40.141 -39528 4399.6 -43928 -43928 -0.18285 0.29525 0.097072 72438 2023-02-16 02:52:52,359 INFO [main.py:643]
{rank 0/100} MD step = 148400 step time: 00:00:00.020398 Performance: 315.613 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:52:52,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148400 14840 39.707 -39472 4351.9 -43824 -43824 -0.18397 0.29511 0.097605 72508 2023-02-16 02:52:55,055 INFO [main.py:643]
{rank 0/100} MD step = 148500 step time: 00:00:00.020385 Performance: 315.616 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:52:55,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148500 14850 40.161 -39458 4401.6 -43860 -43860 -0.18524 0.29535 0.098502 72545 2023-02-16 02:52:57,787 INFO [main.py:643]
{rank 0/100} MD step = 148600 step time: 00:00:00.020452 Performance: 315.616 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:52:58,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148600 14860 39.791 -39478 4361.2 -43839 -43839 -0.18505 0.29421 0.098825 72590 2023-02-16 02:53:00,564 INFO [main.py:643]
{rank 0/100} MD step = 148700 step time: 00:00:00.020656 Performance: 315.613 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:53:01,061 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148700 14870 40.222 -39495 4408.4 -43904 -43904 -0.18372 0.29476 0.099434 72641 2023-02-16 02:53:03,226 INFO [main.py:643]
{rank 0/100} MD step = 148800 step time: 00:00:00.020338 Performance: 315.619 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:53:03,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148800 14880 40.505 -39334 4439.4 -43773 -43773 -0.18242 0.2953 0.098901 72677 2023-02-16 02:53:05,956 INFO [main.py:643]
{rank 0/100} MD step = 148900 step time: 00:00:00.020427 Performance: 315.620 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:53:06,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148900 14890 40.42 -39473 4430.1 -43903 -43903 -0.18186 0.2949 0.099025 72742 2023-02-16 02:53:08,841 INFO [main.py:643]
{rank 0/100} MD step = 149000 step time: 00:00:00.020505 Performance: 315.608 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:53:09,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149000 14900 39.835 -39502 4366 -43868 -43868 -0.18325 0.29521 0.099682 72788 2023-02-16 02:53:11,534 INFO [main.py:643]
{rank 0/100} MD step = 149100 step time: 00:00:00.020424 Performance: 315.612 ns/day 0.076 hours/ns 36.529 steps/s 2023-02-16 02:53:11,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149100 14910 40.114 -39450 4396.6 -43847 -43847 -0.1827 0.29573 0.098596 72848 2023-02-16 02:53:14,204 INFO [main.py:643]
{rank 0/100} MD step = 149200 step time: 00:00:00.020512 Performance: 315.617 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:53:14,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149200 14920 39.687 -39512 4349.7 -43862 -43862 -0.18431 0.2955 0.098444 72894 2023-02-16 02:53:16,915 INFO [main.py:643]
{rank 0/100} MD step = 149300 step time: 00:00:00.020454 Performance: 315.619 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:53:17,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149300 14930 39.87 -39417 4369.8 -43786 -43786 -0.18464 0.296 0.098882 72921 2023-02-16 02:53:19,621 INFO [main.py:643]
{rank 0/100} MD step = 149400 step time: 00:00:00.020459 Performance: 315.621 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:53:20,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149400 14940 40.2 -39422 4405.9 -43827 -43827 -0.18554 0.29635 0.098106 72984 2023-02-16 02:53:22,388 INFO [main.py:643]
{rank 0/100} MD step = 149500 step time: 00:00:00.020444 Performance: 315.619 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:53:23,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149500 14950 40.265 -39337 4413.1 -43750 -43750 -0.18599 0.29726 0.097947 73036 2023-02-16 02:53:25,081 INFO [main.py:643]
{rank 0/100} MD step = 149600 step time: 00:00:00.020426 Performance: 315.622 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:53:25,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149600 14960 39.977 -39432 4381.5 -43813 -43813 -0.18654 0.29735 0.097641 73079 2023-02-16 02:53:27,786 INFO [main.py:643]
{rank 0/100} MD step = 149700 step time: 00:00:00.020433 Performance: 315.625 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:53:28,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149700 14970 40.01 -39469 4385.2 -43855 -43855 -0.18675 0.29787 0.097872 73132 2023-02-16 02:53:30,547 INFO [main.py:643]
{rank 0/100} MD step = 149800 step time: 00:00:00.020395 Performance: 315.623 ns/day 0.076 hours/ns 36.530 steps/s 2023-02-16 02:53:31,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149800 14980 39.85 -39370 4367.6 -43738 -43738 -0.18714 0.29764 0.09732 73186 2023-02-16 02:53:33,232 INFO [main.py:643]
{rank 0/100} MD step = 149900 step time: 00:00:00.020416 Performance: 315.627 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:53:33,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149900 14990 40.78 -39396 4469.5 -43865 -43865 -0.1868 0.29883 0.097906 73225 2023-02-16 02:53:35,943 INFO [main.py:643]
{rank 0/100} MD step = 150000 step time: 00:00:00.020456 Performance: 315.629 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:53:36,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150000 15000 39.849 -39395 4367.5 -43763 -43763 -0.18725 0.29979 0.097082 73267 2023-02-16 02:53:38,685 INFO [main.py:643]
{rank 0/100} MD step = 150100 step time: 00:00:00.020402 Performance: 315.629 ns/day 0.076 hours/ns 36.531 steps/s 2023-02-16 02:53:39,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150100 15010 40.26 -39430 4412.5 -43842 -43842 -0.18599 0.3009 0.098132 73328 2023-02-16 02:53:41,365 INFO [main.py:643]
{rank 0/100} MD step = 150200 step time: 00:00:00.020436 Performance: 315.633 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:53:41,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150200 15020 40.132 -39436 4398.5 -43834 -43834 -0.18469 0.30027 0.097596 73371 2023-02-16 02:53:44,033 INFO [main.py:643]
{rank 0/100} MD step = 150300 step time: 00:00:00.020357 Performance: 315.639 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:53:44,698 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150300 15030 39.96 -39451 4379.7 -43831 -43831 -0.18534 0.29955 0.097244 73430 2023-02-16 02:53:46,772 INFO [main.py:643]
{rank 0/100} MD step = 150400 step time: 00:00:00.020503 Performance: 315.638 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:53:47,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150400 15040 39.256 -39453 4302.5 -43755 -43755 -0.18428 0.3 0.097453 73482 2023-02-16 02:53:49,501 INFO [main.py:643]
{rank 0/100} MD step = 150500 step time: 00:00:00.020381 Performance: 315.639 ns/day 0.076 hours/ns 36.532 steps/s 2023-02-16 02:53:50,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150500 15050 39.75 -39518 4356.6 -43875 -43875 -0.18304 0.29979 0.097491 73535 2023-02-16 02:53:52,149 INFO [main.py:643]
{rank 0/100} MD step = 150600 step time: 00:00:00.020385 Performance: 315.646 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:53:52,671 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150600 15060 39.709 -39511 4352.1 -43863 -43863 -0.18539 0.3 0.098639 73583 2023-02-16 02:53:54,823 INFO [main.py:643]
{rank 0/100} MD step = 150700 step time: 00:00:00.020403 Performance: 315.651 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:53:55,423 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150700 15070 39.742 -39457 4355.7 -43813 -43813 -0.1841 0.29985 0.098929 73632 2023-02-16 02:53:57,514 INFO [main.py:643]
{rank 0/100} MD step = 150800 step time: 00:00:00.020403 Performance: 315.654 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:53:58,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150800 15080 40.044 -39421 4388.9 -43810 -43810 -0.18416 0.29959 0.098406 73696 2023-02-16 02:54:00,229 INFO [main.py:643]
{rank 0/100} MD step = 150900 step time: 00:00:00.020442 Performance: 315.656 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:54:01,120 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150900 15090 40.221 -39431 4408.3 -43840 -43840 -0.18483 0.30059 0.098558 73740 2023-02-16 02:54:03,148 INFO [main.py:643]
{rank 0/100} MD step = 151000 step time: 00:00:00.020475 Performance: 315.642 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:54:03,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151000 15100 40.488 -39471 4437.6 -43909 -43909 -0.18642 0.30177 0.098996 73797 2023-02-16 02:54:05,869 INFO [main.py:643]
{rank 0/100} MD step = 151100 step time: 00:00:00.020552 Performance: 315.643 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:54:06,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151100 15110 39.702 -39550 4351.4 -43901 -43901 -0.18603 0.30256 0.10041 73839 2023-02-16 02:54:08,527 INFO [main.py:643]
{rank 0/100} MD step = 151200 step time: 00:00:00.020249 Performance: 315.649 ns/day 0.076 hours/ns 36.533 steps/s 2023-02-16 02:54:09,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151200 15120 39.117 -39483 4287.3 -43770 -43770 -0.18639 0.30276 0.10116 73892 2023-02-16 02:54:11,229 INFO [main.py:643]
{rank 0/100} MD step = 151300 step time: 00:00:00.020471 Performance: 315.652 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:54:11,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151300 15130 40.235 -39446 4409.9 -43856 -43856 -0.18779 0.30328 0.10125 73942 2023-02-16 02:54:13,919 INFO [main.py:643]
{rank 0/100} MD step = 151400 step time: 00:00:00.020678 Performance: 315.656 ns/day 0.076 hours/ns 36.534 steps/s 2023-02-16 02:54:14,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151400 15140 40.609 -39404 4450.8 -43855 -43855 -0.18824 0.30292 0.10128 73974 2023-02-16 02:54:16,550 INFO [main.py:643]
{rank 0/100} MD step = 151500 step time: 00:00:00.020437 Performance: 315.664 ns/day 0.076 hours/ns 36.535 steps/s 2023-02-16 02:54:16,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151500 15150 39.719 -39504 4353.3 -43858 -43858 -0.18828 0.30299 0.10144 74033 2023-02-16 02:54:19,208 INFO [main.py:643]
{rank 0/100} MD step = 151600 step time: 00:00:00.020503 Performance: 315.670 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:54:19,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 15160 39.923 -39471 4375.6 -43846 -43846 -0.18898 0.30293 0.10147 74077 2023-02-16 02:54:21,905 INFO [main.py:643]
{rank 0/100} MD step = 151700 step time: 00:00:00.020491 Performance: 315.673 ns/day 0.076 hours/ns 36.536 steps/s 2023-02-16 02:54:22,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151700 15170 40.342 -39359 4421.5 -43780 -43780 -0.18807 0.30362 0.10198 74138 2023-02-16 02:54:24,557 INFO [main.py:643]
{rank 0/100} MD step = 151800 step time: 00:00:00.020487 Performance: 315.679 ns/day 0.076 hours/ns 36.537 steps/s 2023-02-16 02:54:25,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151800 15180 39.823 -39511 4364.7 -43875 -43875 -0.18799 0.3045 0.10202 74164 2023-02-16 02:54:27,141 INFO [main.py:643]
{rank 0/100} MD step = 151900 step time: 00:00:00.020530 Performance: 315.691 ns/day 0.076 hours/ns 36.538 steps/s 2023-02-16 02:54:27,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151900 15190 39.999 -39477 4383.9 -43861 -43861 -0.18839 0.30543 0.10178 74221 2023-02-16 02:54:29,832 INFO [main.py:643]
{rank 0/100} MD step = 152000 step time: 00:00:00.020478 Performance: 315.694 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:54:30,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152000 15200 40.072 -39453 4391.9 -43845 -43845 -0.18867 0.30573 0.10189 74279 2023-02-16 02:54:32,505 INFO [main.py:643]
{rank 0/100} MD step = 152100 step time: 00:00:00.020377 Performance: 315.699 ns/day 0.076 hours/ns 36.539 steps/s 2023-02-16 02:54:33,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152100 15210 40.383 -39400 4426 -43826 -43826 -0.18835 0.30647 0.10242 74325 2023-02-16 02:54:35,160 INFO [main.py:643]
{rank 0/100} MD step = 152200 step time: 00:00:00.020376 Performance: 315.705 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:54:35,730 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152200 15220 40.014 -39432 4385.6 -43818 -43818 -0.18751 0.30566 0.10275 74389 2023-02-16 02:54:37,875 INFO [main.py:643]
{rank 0/100} MD step = 152300 step time: 00:00:00.020368 Performance: 315.707 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:54:38,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152300 15230 39.955 -39502 4379.1 -43881 -43881 -0.18655 0.30556 0.10391 74428 2023-02-16 02:54:40,612 INFO [main.py:643]
{rank 0/100} MD step = 152400 step time: 00:00:00.024424 Performance: 315.707 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:54:41,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152400 15240 39.754 -39425 4357.1 -43782 -43782 -0.18752 0.30555 0.10516 74478 2023-02-16 02:54:43,372 INFO [main.py:643]
{rank 0/100} MD step = 152500 step time: 00:00:00.020418 Performance: 315.705 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:54:43,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152500 15250 39.957 -39452 4379.4 -43831 -43831 -0.18759 0.30587 0.10576 74528 2023-02-16 02:54:46,047 INFO [main.py:643]
{rank 0/100} MD step = 152600 step time: 00:00:00.020369 Performance: 315.710 ns/day 0.076 hours/ns 36.540 steps/s 2023-02-16 02:54:46,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152600 15260 39.669 -39415 4347.8 -43763 -43763 -0.18764 0.30626 0.1057 74581 2023-02-16 02:54:48,760 INFO [main.py:643]
{rank 0/100} MD step = 152700 step time: 00:00:00.020511 Performance: 315.712 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:54:49,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152700 15270 40.37 -39422 4424.6 -43847 -43847 -0.18883 0.3069 0.10547 74617 2023-02-16 02:54:51,403 INFO [main.py:643]
{rank 0/100} MD step = 152800 step time: 00:00:00.020263 Performance: 315.719 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:54:51,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152800 15280 39.539 -39519 4333.5 -43852 -43852 -0.18794 0.30756 0.10528 74672 2023-02-16 02:54:54,060 INFO [main.py:643]
{rank 0/100} MD step = 152900 step time: 00:00:00.020421 Performance: 315.725 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:54:54,671 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152900 15290 40.323 -39405 4419.4 -43824 -43824 -0.18904 0.30832 0.10519 74715 2023-02-16 02:54:56,711 INFO [main.py:643]
{rank 0/100} MD step = 153000 step time: 00:00:00.020386 Performance: 315.731 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:54:57,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153000 15300 40.351 -39536 4422.5 -43958 -43958 -0.18908 0.30788 0.10435 74747 2023-02-16 02:54:59,463 INFO [main.py:643]
{rank 0/100} MD step = 153100 step time: 00:00:00.020502 Performance: 315.730 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:55:00,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153100 15310 40.313 -39390 4418.4 -43808 -43808 -0.18954 0.30728 0.10493 74815 2023-02-16 02:55:02,135 INFO [main.py:643]
{rank 0/100} MD step = 153200 step time: 00:00:00.020342 Performance: 315.735 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:55:02,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153200 15320 40.591 -39354 4448.8 -43803 -43803 -0.18992 0.30836 0.10524 74874 2023-02-16 02:55:04,801 INFO [main.py:643]
{rank 0/100} MD step = 153300 step time: 00:00:00.020436 Performance: 315.740 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:55:05,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153300 15330 39.778 -39513 4359.7 -43873 -43873 -0.18916 0.30729 0.10497 74922 2023-02-16 02:55:07,459 INFO [main.py:643]
{rank 0/100} MD step = 153400 step time: 00:00:00.020459 Performance: 315.746 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:55:08,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153400 15340 40.183 -39505 4404.2 -43909 -43909 -0.18959 0.30741 0.10484 74966 2023-02-16 02:55:10,154 INFO [main.py:643]
{rank 0/100} MD step = 153500 step time: 00:00:00.020636 Performance: 315.749 ns/day 0.076 hours/ns 36.545 steps/s 2023-02-16 02:55:10,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153500 15350 40.086 -39482 4393.5 -43875 -43875 -0.18832 0.30823 0.10542 75033 2023-02-16 02:55:13,123 INFO [main.py:643]
{rank 0/100} MD step = 153600 step time: 00:00:00.020554 Performance: 315.732 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:55:13,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153600 15360 39.9 -39499 4373 -43872 -43872 -0.18907 0.30872 0.10515 75071 2023-02-16 02:55:15,774 INFO [main.py:643]
{rank 0/100} MD step = 153700 step time: 00:00:00.020435 Performance: 315.738 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:55:16,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153700 15370 40.116 -39410 4396.7 -43806 -43806 -0.18906 0.30903 0.10574 75117 2023-02-16 02:55:18,542 INFO [main.py:643]
{rank 0/100} MD step = 153800 step time: 00:00:00.020448 Performance: 315.736 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:55:19,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153800 15380 39.498 -39527 4329 -43856 -43856 -0.18974 0.30913 0.10564 75182 2023-02-16 02:55:21,372 INFO [main.py:643]
{rank 0/100} MD step = 153900 step time: 00:00:00.020472 Performance: 315.729 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:55:21,714 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153900 15390 39.481 -39547 4327.2 -43875 -43875 -0.1912 0.30889 0.10487 75223 2023-02-16 02:55:23,994 INFO [main.py:643]
{rank 0/100} MD step = 154000 step time: 00:00:00.020431 Performance: 315.737 ns/day 0.076 hours/ns 36.544 steps/s 2023-02-16 02:55:24,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154000 15400 39.884 -39470 4371.3 -43841 -43841 -0.19376 0.30882 0.10553 75278 2023-02-16 02:55:26,793 INFO [main.py:643]
{rank 0/100} MD step = 154100 step time: 00:00:00.020439 Performance: 315.733 ns/day 0.076 hours/ns 36.543 steps/s 2023-02-16 02:55:27,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154100 15410 40.559 -39391 4445.3 -43836 -43836 -0.19456 0.3099 0.10515 75324 2023-02-16 02:55:29,605 INFO [main.py:643]
{rank 0/100} MD step = 154200 step time: 00:00:00.020396 Performance: 315.727 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:55:30,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154200 15420 39.737 -39523 4355.3 -43878 -43878 -0.19574 0.31009 0.10428 75378 2023-02-16 02:55:32,469 INFO [main.py:643]
{rank 0/100} MD step = 154300 step time: 00:00:00.020389 Performance: 315.717 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:55:33,043 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154300 15430 39.179 -39569 4294.1 -43863 -43863 -0.19689 0.31007 0.1042 75427 2023-02-16 02:55:35,225 INFO [main.py:643]
{rank 0/100} MD step = 154400 step time: 00:00:00.020342 Performance: 315.716 ns/day 0.076 hours/ns 36.541 steps/s 2023-02-16 02:55:35,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154400 15440 40.196 -39380 4405.5 -43786 -43786 -0.19859 0.31053 0.10464 75491 2023-02-16 02:55:37,864 INFO [main.py:643]
{rank 0/100} MD step = 154500 step time: 00:00:00.020570 Performance: 315.723 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:55:38,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154500 15450 40.375 -39429 4425.2 -43855 -43855 -0.19807 0.31172 0.10389 75526 2023-02-16 02:55:40,613 INFO [main.py:643]
{rank 0/100} MD step = 154600 step time: 00:00:00.021241 Performance: 315.722 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:55:41,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154600 15460 40.838 -39421 4475.9 -43897 -43897 -0.19764 0.31255 0.10374 75581 2023-02-16 02:55:43,313 INFO [main.py:643]
{rank 0/100} MD step = 154700 step time: 00:00:00.020410 Performance: 315.725 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:55:43,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154700 15470 40.02 -39401 4386.2 -43787 -43787 -0.19816 0.31266 0.10284 75638 2023-02-16 02:55:46,086 INFO [main.py:643]
{rank 0/100} MD step = 154800 step time: 00:00:00.020382 Performance: 315.722 ns/day 0.076 hours/ns 36.542 steps/s 2023-02-16 02:55:49,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154800 15480 39.923 -39501 4375.6 -43876 -43876 -0.19882 0.31271 0.1026 75680 2023-02-16 02:55:51,251 INFO [main.py:643]
{rank 0/100} MD step = 154900 step time: 00:00:00.020311 Performance: 315.542 ns/day 0.076 hours/ns 36.521 steps/s 2023-02-16 02:55:51,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154900 15490 40.274 -39470 4414.1 -43884 -43884 -0.19848 0.31271 0.10305 75740 2023-02-16 02:55:53,921 INFO [main.py:643]
{rank 0/100} MD step = 155000 step time: 00:00:00.020532 Performance: 315.547 ns/day 0.076 hours/ns 36.522 steps/s 2023-02-16 02:55:56,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155000 15500 40.233 -39425 4409.5 -43835 -43835 -0.19643 0.31298 0.10226 75780 2023-02-16 02:55:58,663 INFO [main.py:643]
{rank 0/100} MD step = 155100 step time: 00:00:00.020456 Performance: 315.398 ns/day 0.076 hours/ns 36.504 steps/s 2023-02-16 02:55:59,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155100 15510 40.27 -39438 4413.7 -43852 -43852 -0.19675 0.31434 0.10229 75828 2023-02-16 02:56:01,503 INFO [main.py:643]
{rank 0/100} MD step = 155200 step time: 00:00:00.020407 Performance: 315.390 ns/day 0.076 hours/ns 36.504 steps/s 2023-02-16 02:56:02,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155200 15520 40.238 -39364 4410.1 -43774 -43774 -0.1963 0.31532 0.10203 75881 2023-02-16 02:56:05,255 INFO [main.py:643]
{rank 0/100} MD step = 155300 step time: 00:00:00.020389 Performance: 315.315 ns/day 0.076 hours/ns 36.495 steps/s 2023-02-16 02:56:05,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155300 15530 40.005 -39512 4384.6 -43896 -43896 -0.1974 0.31575 0.10193 75919 2023-02-16 02:56:08,046 INFO [main.py:643]
{rank 0/100} MD step = 155400 step time: 00:00:00.020475 Performance: 315.312 ns/day 0.076 hours/ns 36.494 steps/s 2023-02-16 02:56:08,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155400 15540 40.524 -39361 4441.5 -43802 -43802 -0.19784 0.31569 0.10073 75957 2023-02-16 02:56:10,715 INFO [main.py:643]
{rank 0/100} MD step = 155500 step time: 00:00:00.020467 Performance: 315.317 ns/day 0.076 hours/ns 36.495 steps/s 2023-02-16 02:56:11,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155500 15550 39.855 -39437 4368.1 -43805 -43805 -0.19785 0.31639 0.1006 76007 2023-02-16 02:56:13,549 INFO [main.py:643]
{rank 0/100} MD step = 155600 step time: 00:00:00.020354 Performance: 315.310 ns/day 0.076 hours/ns 36.494 steps/s 2023-02-16 02:56:14,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155600 15560 39.767 -39437 4358.5 -43796 -43796 -0.19832 0.31678 0.10001 76053 2023-02-16 02:56:16,181 INFO [main.py:643]
{rank 0/100} MD step = 155700 step time: 00:00:00.020477 Performance: 315.318 ns/day 0.076 hours/ns 36.495 steps/s 2023-02-16 02:56:16,562 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155700 15570 40.305 -39448 4417.4 -43865 -43865 -0.19797 0.31712 0.099434 76109 2023-02-16 02:56:18,923 INFO [main.py:643]
{rank 0/100} MD step = 155800 step time: 00:00:00.020434 Performance: 315.318 ns/day 0.076 hours/ns 36.495 steps/s 2023-02-16 02:56:19,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155800 15580 40.459 -39371 4434.3 -43805 -43805 -0.1982 0.31748 0.099148 76145 2023-02-16 02:56:21,581 INFO [main.py:643]
{rank 0/100} MD step = 155900 step time: 00:00:00.020597 Performance: 315.324 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:56:22,208 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155900 15590 40.156 -39416 4401.2 -43817 -43817 -0.19986 0.31815 0.099768 76203 2023-02-16 02:56:24,256 INFO [main.py:643]
{rank 0/100} MD step = 156000 step time: 00:00:00.020437 Performance: 315.329 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:56:24,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156000 15600 40.135 -39489 4398.8 -43887 -43887 -0.19844 0.31877 0.10013 76243 2023-02-16 02:56:26,987 INFO [main.py:643]
{rank 0/100} MD step = 156100 step time: 00:00:00.020488 Performance: 315.329 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:56:27,686 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156100 15610 40.008 -39467 4384.9 -43852 -43852 -0.19864 0.31871 0.1017 76303 2023-02-16 02:56:29,735 INFO [main.py:643]
{rank 0/100} MD step = 156200 step time: 00:00:00.020355 Performance: 315.329 ns/day 0.076 hours/ns 36.496 steps/s 2023-02-16 02:56:30,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156200 15620 40.17 -39369 4402.7 -43771 -43771 -0.19946 0.3185 0.10264 76354 2023-02-16 02:56:32,399 INFO [main.py:643]
{rank 0/100} MD step = 156300 step time: 00:00:00.020540 Performance: 315.334 ns/day 0.076 hours/ns 36.497 steps/s 2023-02-16 02:56:32,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156300 15630 39.318 -39476 4309.3 -43786 -43786 -0.20023 0.31901 0.10382 76406 2023-02-16 02:56:35,016 INFO [main.py:643]
{rank 0/100} MD step = 156400 step time: 00:00:00.020407 Performance: 315.343 ns/day 0.076 hours/ns 36.498 steps/s 2023-02-16 02:56:35,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156400 15640 40.004 -39433 4384.5 -43817 -43817 -0.20054 0.31855 0.10271 76450 2023-02-16 02:56:37,676 INFO [main.py:643]
{rank 0/100} MD step = 156500 step time: 00:00:00.020561 Performance: 315.349 ns/day 0.076 hours/ns 36.499 steps/s 2023-02-16 02:56:38,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156500 15650 39.91 -39510 4374.2 -43885 -43885 -0.20198 0.31896 0.10218 76507 2023-02-16 02:56:40,315 INFO [main.py:643]
{rank 0/100} MD step = 156600 step time: 00:00:00.020391 Performance: 315.357 ns/day 0.076 hours/ns 36.500 steps/s 2023-02-16 02:56:41,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156600 15660 39.979 -39397 4381.7 -43779 -43779 -0.20149 0.31891 0.10268 76537 2023-02-16 02:56:43,194 INFO [main.py:643]
{rank 0/100} MD step = 156700 step time: 00:00:00.020403 Performance: 315.346 ns/day 0.076 hours/ns 36.498 steps/s 2023-02-16 02:56:45,947 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156700 15670 39.881 -39562 4371.1 -43933 -43933 -0.20281 0.31917 0.10227 76588 2023-02-16 02:56:48,001 INFO [main.py:643]
{rank 0/100} MD step = 156800 step time: 00:00:00.020392 Performance: 315.195 ns/day 0.076 hours/ns 36.481 steps/s 2023-02-16 02:56:48,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156800 15680 39.739 -39480 4355.4 -43835 -43835 -0.20232 0.3196 0.10178 76649 2023-02-16 02:56:50,830 INFO [main.py:643]
{rank 0/100} MD step = 156900 step time: 00:00:00.020481 Performance: 315.188 ns/day 0.076 hours/ns 36.480 steps/s 2023-02-16 02:56:51,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156900 15690 39.839 -39447 4366.4 -43814 -43814 -0.20267 0.31982 0.10088 76688 2023-02-16 02:56:53,712 INFO [main.py:643]
{rank 0/100} MD step = 157000 step time: 00:00:00.020426 Performance: 315.178 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 02:56:54,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157000 15700 39.996 -39375 4383.6 -43758 -43758 -0.20401 0.32044 0.10183 76753 2023-02-16 02:56:56,380 INFO [main.py:643]
{rank 0/100} MD step = 157100 step time: 00:00:00.020544 Performance: 315.183 ns/day 0.076 hours/ns 36.480 steps/s 2023-02-16 02:56:57,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157100 15710 39.759 -39494 4357.6 -43852 -43852 -0.20528 0.32107 0.10163 76786 2023-02-16 02:56:59,062 INFO [main.py:643]
{rank 0/100} MD step = 157200 step time: 00:00:00.020483 Performance: 315.188 ns/day 0.076 hours/ns 36.480 steps/s 2023-02-16 02:56:59,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157200 15720 40.179 -39412 4403.7 -43816 -43816 -0.20584 0.32196 0.10191 76837 2023-02-16 02:57:02,069 INFO [main.py:643]
{rank 0/100} MD step = 157300 step time: 00:00:00.020445 Performance: 315.168 ns/day 0.076 hours/ns 36.478 steps/s 2023-02-16 02:57:02,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157300 15730 39.823 -39449 4364.6 -43813 -43813 -0.20529 0.32173 0.10182 76894 2023-02-16 02:57:04,710 INFO [main.py:643]
{rank 0/100} MD step = 157400 step time: 00:00:00.020508 Performance: 315.176 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 02:57:05,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157400 15740 40.094 -39448 4394.3 -43842 -43842 -0.20663 0.32221 0.10228 76940 2023-02-16 02:57:07,417 INFO [main.py:643]
{rank 0/100} MD step = 157500 step time: 00:00:00.020600 Performance: 315.178 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 02:57:07,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157500 15750 39.657 -39473 4346.5 -43820 -43820 -0.20582 0.32212 0.10295 76991 2023-02-16 02:57:10,088 INFO [main.py:643]
{rank 0/100} MD step = 157600 step time: 00:00:00.020460 Performance: 315.183 ns/day 0.076 hours/ns 36.480 steps/s 2023-02-16 02:57:10,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157600 15760 39.7 -39407 4351.2 -43758 -43758 -0.20828 0.32289 0.1033 77043 2023-02-16 02:57:12,743 INFO [main.py:643]
{rank 0/100} MD step = 157700 step time: 00:00:00.020655 Performance: 315.190 ns/day 0.076 hours/ns 36.480 steps/s 2023-02-16 02:57:13,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157700 15770 40.329 -39451 4420.2 -43871 -43871 -0.20775 0.32308 0.10283 77078 2023-02-16 02:57:15,383 INFO [main.py:643]
{rank 0/100} MD step = 157800 step time: 00:00:00.020255 Performance: 315.197 ns/day 0.076 hours/ns 36.481 steps/s 2023-02-16 02:57:16,043 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157800 15780 39.828 -39486 4365.2 -43852 -43852 -0.207 0.32388 0.10243 77132 2023-02-16 02:57:18,108 INFO [main.py:643]
{rank 0/100} MD step = 157900 step time: 00:00:00.020429 Performance: 315.198 ns/day 0.076 hours/ns 36.481 steps/s 2023-02-16 02:57:18,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157900 15790 39.911 -39348 4374.3 -43722 -43722 -0.2063 0.32437 0.10207 77190 2023-02-16 02:57:20,741 INFO [main.py:643]
{rank 0/100} MD step = 158000 step time: 00:00:00.020403 Performance: 315.206 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 02:57:21,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158000 15800 40.272 -39517 4413.8 -43930 -43930 -0.20738 0.32471 0.10181 77252 2023-02-16 02:57:23,417 INFO [main.py:643]
{rank 0/100} MD step = 158100 step time: 00:00:00.020487 Performance: 315.211 ns/day 0.076 hours/ns 36.483 steps/s 2023-02-16 02:57:24,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158100 15810 39.89 -39489 4372 -43861 -43861 -0.20607 0.32489 0.10241 77299 2023-02-16 02:57:26,141 INFO [main.py:643]
{rank 0/100} MD step = 158200 step time: 00:00:00.020426 Performance: 315.212 ns/day 0.076 hours/ns 36.483 steps/s 2023-02-16 02:57:26,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158200 15820 39.628 -39491 4343.2 -43834 -43834 -0.20672 0.32525 0.103 77360 2023-02-16 02:57:28,834 INFO [main.py:643]
{rank 0/100} MD step = 158300 step time: 00:00:00.020376 Performance: 315.215 ns/day 0.076 hours/ns 36.483 steps/s 2023-02-16 02:57:29,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158300 15830 40.21 -39423 4407.1 -43830 -43830 -0.205 0.32585 0.1033 77395 2023-02-16 02:57:31,482 INFO [main.py:643]
{rank 0/100} MD step = 158400 step time: 00:00:00.020637 Performance: 315.222 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:57:32,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158400 15840 40.113 -39461 4396.4 -43858 -43858 -0.20463 0.32575 0.10273 77431 2023-02-16 02:57:34,188 INFO [main.py:643]
{rank 0/100} MD step = 158500 step time: 00:00:00.020409 Performance: 315.225 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:57:34,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158500 15850 39.94 -39433 4377.5 -43810 -43810 -0.20419 0.32535 0.10215 77485 2023-02-16 02:57:36,944 INFO [main.py:643]
{rank 0/100} MD step = 158600 step time: 00:00:00.020532 Performance: 315.224 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:57:37,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158600 15860 40.341 -39474 4421.4 -43895 -43895 -0.20359 0.326 0.10191 77522 2023-02-16 02:57:39,613 INFO [main.py:643]
{rank 0/100} MD step = 158700 step time: 00:00:00.020533 Performance: 315.229 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:57:40,145 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158700 15870 40.137 -39367 4399.1 -43766 -43766 -0.20348 0.32646 0.10143 77572 2023-02-16 02:57:42,335 INFO [main.py:643]
{rank 0/100} MD step = 158800 step time: 00:00:00.020646 Performance: 315.230 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:57:42,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158800 15880 40.41 -39375 4429 -43804 -43804 -0.20432 0.3264 0.10136 77631 2023-02-16 02:57:45,064 INFO [main.py:643]
{rank 0/100} MD step = 158900 step time: 00:00:00.020429 Performance: 315.231 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:57:45,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158900 15890 40.188 -39420 4404.7 -43824 -43824 -0.20439 0.32756 0.10034 77664 2023-02-16 02:57:47,867 INFO [main.py:643]
{rank 0/100} MD step = 159000 step time: 00:00:00.020559 Performance: 315.227 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:57:48,768 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159000 15900 40.227 -39433 4409 -43842 -43842 -0.20401 0.32864 0.10044 77713 2023-02-16 02:57:50,799 INFO [main.py:643]
{rank 0/100} MD step = 159100 step time: 00:00:00.020663 Performance: 315.213 ns/day 0.076 hours/ns 36.483 steps/s 2023-02-16 02:57:51,301 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159100 15910 40.506 -39442 4439.5 -43881 -43881 -0.2039 0.32933 0.099596 77753 2023-02-16 02:57:53,490 INFO [main.py:643]
{rank 0/100} MD step = 159200 step time: 00:00:00.020426 Performance: 315.216 ns/day 0.076 hours/ns 36.483 steps/s 2023-02-16 02:57:54,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159200 15920 40.256 -39387 4412.1 -43799 -43799 -0.20558 0.32874 0.098582 77815 2023-02-16 02:57:56,158 INFO [main.py:643]
{rank 0/100} MD step = 159300 step time: 00:00:00.020622 Performance: 315.222 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:57:56,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159300 15930 39.798 -39523 4361.9 -43885 -43885 -0.20666 0.32925 0.098801 77850 2023-02-16 02:57:58,843 INFO [main.py:643]
{rank 0/100} MD step = 159400 step time: 00:00:00.020535 Performance: 315.226 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:57:59,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159400 15940 40.111 -39460 4396.3 -43856 -43856 -0.20529 0.32952 0.099791 77913 2023-02-16 02:58:01,590 INFO [main.py:643]
{rank 0/100} MD step = 159500 step time: 00:00:00.020574 Performance: 315.225 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:58:02,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159500 15950 39.824 -39431 4364.7 -43795 -43795 -0.20504 0.32966 0.098767 77964 2023-02-16 02:58:04,321 INFO [main.py:643]
{rank 0/100} MD step = 159600 step time: 00:00:00.020926 Performance: 315.226 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:58:04,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159600 15960 40.406 -39442 4428.5 -43870 -43870 -0.20596 0.32968 0.098634 78008 2023-02-16 02:58:06,991 INFO [main.py:643]
{rank 0/100} MD step = 159700 step time: 00:00:00.020365 Performance: 315.231 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:58:07,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159700 15970 40.096 -39417 4394.5 -43812 -43812 -0.20652 0.32946 0.097396 78046 2023-02-16 02:58:09,713 INFO [main.py:643]
{rank 0/100} MD step = 159800 step time: 00:00:00.020374 Performance: 315.232 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:58:10,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159800 15980 39.614 -39478 4341.7 -43820 -43820 -0.20565 0.32935 0.097658 78088 2023-02-16 02:58:12,422 INFO [main.py:643]
{rank 0/100} MD step = 159900 step time: 00:00:00.020474 Performance: 315.235 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:58:13,118 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159900 15990 40.018 -39437 4386 -43823 -43823 -0.20647 0.33011 0.096858 78135 2023-02-16 02:58:15,161 INFO [main.py:643]
{rank 0/100} MD step = 160000 step time: 00:00:00.020415 Performance: 315.235 ns/day 0.076 hours/ns 36.486 steps/s 2023-02-16 02:58:15,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160000 16000 40.152 -39416 4400.7 -43817 -43817 -0.20788 0.33022 0.096558 78197 2023-02-16 02:58:18,108 INFO [main.py:643]
{rank 0/100} MD step = 160100 step time: 00:00:00.020530 Performance: 315.220 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:58:18,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160100 16010 39.438 -39496 4322.4 -43818 -43818 -0.2085 0.33089 0.097625 78226 2023-02-16 02:58:20,736 INFO [main.py:643]
{rank 0/100} MD step = 160200 step time: 00:00:00.020373 Performance: 315.228 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:58:21,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160200 16020 39.852 -39464 4367.8 -43832 -43832 -0.20776 0.33084 0.09792 78278 2023-02-16 02:58:23,460 INFO [main.py:643]
{rank 0/100} MD step = 160300 step time: 00:00:00.020426 Performance: 315.229 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:58:24,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160300 16030 39.926 -39455 4375.9 -43831 -43831 -0.20752 0.33089 0.097801 78335 2023-02-16 02:58:26,144 INFO [main.py:643]
{rank 0/100} MD step = 160400 step time: 00:00:00.020392 Performance: 315.233 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:58:26,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160400 16040 39.758 -39492 4357.5 -43850 -43850 -0.20879 0.33118 0.09772 78373 2023-02-16 02:58:28,873 INFO [main.py:643]
{rank 0/100} MD step = 160500 step time: 00:00:00.020630 Performance: 315.234 ns/day 0.076 hours/ns 36.485 steps/s 2023-02-16 02:58:29,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160500 16050 39.962 -39395 4379.9 -43775 -43775 -0.21044 0.33215 0.097548 78429 2023-02-16 02:58:31,744 INFO [main.py:643]
{rank 0/100} MD step = 160600 step time: 00:00:00.020548 Performance: 315.225 ns/day 0.076 hours/ns 36.484 steps/s 2023-02-16 02:58:33,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160600 16060 40.524 -39380 4441.4 -43821 -43821 -0.21174 0.33199 0.09751 78461 2023-02-16 02:58:35,185 INFO [main.py:643]
{rank 0/100} MD step = 160700 step time: 00:00:00.020315 Performance: 315.175 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 02:58:35,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160700 16070 40.174 -39433 4403.1 -43837 -43837 -0.2107 0.33225 0.097365 78500 2023-02-16 02:58:37,898 INFO [main.py:643]
{rank 0/100} MD step = 160800 step time: 00:00:00.020481 Performance: 315.177 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 02:58:38,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160800 16080 40.371 -39424 4424.7 -43849 -43849 -0.21118 0.33173 0.097586 78565 2023-02-16 02:58:40,582 INFO [main.py:643]
{rank 0/100} MD step = 160900 step time: 00:00:00.020374 Performance: 315.181 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 02:58:43,014 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160900 16090 40.026 -39473 4386.9 -43860 -43860 -0.21119 0.33183 0.097529 78611 2023-02-16 02:58:45,045 INFO [main.py:643]
{rank 0/100} MD step = 161000 step time: 00:00:00.020353 Performance: 315.058 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 02:58:45,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161000 16100 39.901 -39415 4373.2 -43788 -43788 -0.21137 0.3315 0.097834 78653 2023-02-16 02:58:47,711 INFO [main.py:643]
{rank 0/100} MD step = 161100 step time: 00:00:00.020698 Performance: 315.063 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 02:58:48,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161100 16110 40.574 -39294 4446.9 -43741 -43741 -0.20962 0.33141 0.098329 78699 2023-02-16 02:58:50,382 INFO [main.py:643]
{rank 0/100} MD step = 161200 step time: 00:00:00.020520 Performance: 315.069 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 02:58:51,008 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161200 16120 40.234 -39457 4409.7 -43867 -43867 -0.211 0.33247 0.098053 78735 2023-02-16 02:58:53,056 INFO [main.py:643]
{rank 0/100} MD step = 161300 step time: 00:00:00.020253 Performance: 315.073 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 02:58:53,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161300 16130 40.286 -39382 4415.4 -43797 -43797 -0.21147 0.33305 0.098872 78794 2023-02-16 02:58:55,710 INFO [main.py:643]
{rank 0/100} MD step = 161400 step time: 00:00:00.020369 Performance: 315.080 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 02:58:56,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161400 16140 39.348 -39536 4312.5 -43848 -43848 -0.21234 0.33273 0.099644 78834 2023-02-16 02:58:58,368 INFO [main.py:643]
{rank 0/100} MD step = 161500 step time: 00:00:00.021666 Performance: 315.086 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 02:58:58,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161500 16150 40.004 -39417 4384.5 -43802 -43802 -0.21264 0.3332 0.099682 78907 2023-02-16 02:59:01,029 INFO [main.py:643]
{rank 0/100} MD step = 161600 step time: 00:00:00.020327 Performance: 315.091 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 02:59:01,649 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161600 16160 40.248 -39394 4411.2 -43805 -43805 -0.21252 0.33387 0.099282 78952 2023-02-16 02:59:03,681 INFO [main.py:643]
{rank 0/100} MD step = 161700 step time: 00:00:00.020382 Performance: 315.098 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 02:59:04,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161700 16170 40.118 -39468 4396.9 -43865 -43865 -0.21277 0.33532 0.09871 79004 2023-02-16 02:59:06,332 INFO [main.py:643]
{rank 0/100} MD step = 161800 step time: 00:00:00.020367 Performance: 315.104 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 02:59:06,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161800 16180 39.586 -39468 4338.7 -43807 -43807 -0.21113 0.33556 0.099334 79049 2023-02-16 02:59:09,044 INFO [main.py:643]
{rank 0/100} MD step = 161900 step time: 00:00:00.020467 Performance: 315.106 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 02:59:09,639 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161900 16190 40.056 -39475 4390.2 -43865 -43865 -0.21256 0.33539 0.099563 79096 2023-02-16 02:59:11,686 INFO [main.py:643]
{rank 0/100} MD step = 162000 step time: 00:00:00.020335 Performance: 315.114 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 02:59:12,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162000 16200 39.927 -39409 4376.1 -43785 -43785 -0.21215 0.33593 0.10018 79155 2023-02-16 02:59:14,389 INFO [main.py:643]
{rank 0/100} MD step = 162100 step time: 00:00:00.020560 Performance: 315.116 ns/day 0.076 hours/ns 36.472 steps/s 2023-02-16 02:59:14,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162100 16210 39.467 -39504 4325.6 -43830 -43830 -0.21215 0.33554 0.10032 79203 2023-02-16 02:59:17,033 INFO [main.py:643]
{rank 0/100} MD step = 162200 step time: 00:00:00.020448 Performance: 315.123 ns/day 0.076 hours/ns 36.473 steps/s 2023-02-16 02:59:17,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162200 16220 40.201 -39355 4406 -43761 -43761 -0.21187 0.33561 0.10142 79241 2023-02-16 02:59:19,735 INFO [main.py:643]
{rank 0/100} MD step = 162300 step time: 00:00:00.020620 Performance: 315.126 ns/day 0.076 hours/ns 36.473 steps/s 2023-02-16 02:59:20,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162300 16230 40.513 -39379 4440.3 -43820 -43820 -0.21314 0.33503 0.10214 79291 2023-02-16 02:59:22,381 INFO [main.py:643]
{rank 0/100} MD step = 162400 step time: 00:00:00.020372 Performance: 315.133 ns/day 0.076 hours/ns 36.474 steps/s 2023-02-16 02:59:23,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162400 16240 40.327 -39430 4419.9 -43850 -43850 -0.2135 0.33611 0.10206 79335 2023-02-16 02:59:25,070 INFO [main.py:643]
{rank 0/100} MD step = 162500 step time: 00:00:00.020444 Performance: 315.137 ns/day 0.076 hours/ns 36.474 steps/s 2023-02-16 02:59:25,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162500 16250 40.589 -39339 4448.6 -43787 -43787 -0.21499 0.33618 0.10208 79393 2023-02-16 02:59:27,749 INFO [main.py:643]
{rank 0/100} MD step = 162600 step time: 00:00:00.020412 Performance: 315.141 ns/day 0.076 hours/ns 36.475 steps/s 2023-02-16 02:59:28,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162600 16260 40.023 -39405 4386.5 -43791 -43791 -0.21395 0.33714 0.1021 79425 2023-02-16 02:59:30,483 INFO [main.py:643]
{rank 0/100} MD step = 162700 step time: 00:00:00.020422 Performance: 315.142 ns/day 0.076 hours/ns 36.475 steps/s 2023-02-16 02:59:31,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162700 16270 39.611 -39438 4341.5 -43779 -43779 -0.21323 0.33842 0.10149 79482 2023-02-16 02:59:33,118 INFO [main.py:643]
{rank 0/100} MD step = 162800 step time: 00:00:00.020531 Performance: 315.149 ns/day 0.076 hours/ns 36.476 steps/s 2023-02-16 02:59:33,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162800 16280 40.355 -39392 4422.9 -43815 -43815 -0.21329 0.33792 0.10187 79529 2023-02-16 02:59:35,796 INFO [main.py:643]
{rank 0/100} MD step = 162900 step time: 00:00:00.020559 Performance: 315.154 ns/day 0.076 hours/ns 36.476 steps/s 2023-02-16 02:59:36,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162900 16290 40.48 -39378 4436.7 -43814 -43814 -0.21371 0.33891 0.10239 79571 2023-02-16 02:59:38,474 INFO [main.py:643]
{rank 0/100} MD step = 163000 step time: 00:00:00.020388 Performance: 315.158 ns/day 0.076 hours/ns 36.477 steps/s 2023-02-16 02:59:39,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163000 16300 40.098 -39469 4394.8 -43864 -43864 -0.21351 0.3391 0.10258 79619 2023-02-16 02:59:41,173 INFO [main.py:643]
{rank 0/100} MD step = 163100 step time: 00:00:00.020603 Performance: 315.161 ns/day 0.076 hours/ns 36.477 steps/s 2023-02-16 02:59:41,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163100 16310 39.855 -39458 4368.1 -43826 -43826 -0.21335 0.33925 0.10285 79676 2023-02-16 02:59:43,860 INFO [main.py:643]
{rank 0/100} MD step = 163200 step time: 00:00:00.020556 Performance: 315.165 ns/day 0.076 hours/ns 36.477 steps/s 2023-02-16 02:59:44,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163200 16320 39.578 -39495 4337.8 -43833 -43833 -0.21346 0.33989 0.1023 79696 2023-02-16 02:59:46,500 INFO [main.py:643]
{rank 0/100} MD step = 163300 step time: 00:00:00.020519 Performance: 315.172 ns/day 0.076 hours/ns 36.478 steps/s 2023-02-16 02:59:47,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163300 16330 39.899 -39430 4372.9 -43803 -43803 -0.21384 0.33959 0.10271 79762 2023-02-16 02:59:49,247 INFO [main.py:643]
{rank 0/100} MD step = 163400 step time: 00:00:00.020629 Performance: 315.172 ns/day 0.076 hours/ns 36.478 steps/s 2023-02-16 02:59:49,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163400 16340 39.161 -39549 4292.1 -43841 -43841 -0.21555 0.33964 0.10302 79821 2023-02-16 02:59:51,902 INFO [main.py:643]
{rank 0/100} MD step = 163500 step time: 00:00:00.020546 Performance: 315.178 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 02:59:53,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163500 16350 40.329 -39355 4420.1 -43775 -43775 -0.21529 0.33956 0.10244 79868 2023-02-16 02:59:55,497 INFO [main.py:643]
{rank 0/100} MD step = 163600 step time: 00:00:00.020422 Performance: 315.118 ns/day 0.076 hours/ns 36.472 steps/s 2023-02-16 02:59:56,023 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163600 16360 40.082 -39494 4393.1 -43887 -43887 -0.2162 0.34124 0.10246 79914 2023-02-16 02:59:58,241 INFO [main.py:643]
{rank 0/100} MD step = 163700 step time: 00:00:00.021923 Performance: 315.117 ns/day 0.076 hours/ns 36.472 steps/s 2023-02-16 02:59:58,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163700 16370 40.031 -39424 4387.4 -43811 -43811 -0.21714 0.34167 0.10262 79955 2023-02-16 03:00:00,945 INFO [main.py:643]
{rank 0/100} MD step = 163800 step time: 00:00:00.020426 Performance: 315.120 ns/day 0.076 hours/ns 36.472 steps/s 2023-02-16 03:00:01,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163800 16380 39.848 -39542 4367.4 -43909 -43909 -0.21774 0.34188 0.10227 79999 2023-02-16 03:00:03,608 INFO [main.py:643]
{rank 0/100} MD step = 163900 step time: 00:00:00.020320 Performance: 315.126 ns/day 0.076 hours/ns 36.473 steps/s 2023-02-16 03:00:05,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163900 16390 40.036 -39433 4387.9 -43821 -43821 -0.21818 0.34274 0.10271 80059 2023-02-16 03:00:07,228 INFO [main.py:643]
{rank 0/100} MD step = 164000 step time: 00:00:00.020439 Performance: 315.064 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:00:07,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164000 16400 39.984 -39478 4382.3 -43860 -43860 -0.21868 0.34265 0.10293 80092 2023-02-16 03:00:09,951 INFO [main.py:643]
{rank 0/100} MD step = 164100 step time: 00:00:00.020500 Performance: 315.066 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:00:10,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164100 16410 39.571 -39561 4337 -43898 -43898 -0.21959 0.34125 0.10342 80161 2023-02-16 03:00:12,617 INFO [main.py:643]
{rank 0/100} MD step = 164200 step time: 00:00:00.020374 Performance: 315.071 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:00:13,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164200 16420 39.97 -39462 4380.8 -43843 -43843 -0.22142 0.34236 0.10429 80208 2023-02-16 03:00:15,625 INFO [main.py:643]
{rank 0/100} MD step = 164300 step time: 00:00:00.020848 Performance: 315.052 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:00:19,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164300 16430 40.1 -39458 4395 -43853 -43853 -0.22096 0.34227 0.10477 80257 2023-02-16 03:00:21,252 INFO [main.py:643]
{rank 0/100} MD step = 164400 step time: 00:00:00.020557 Performance: 314.851 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:00:25,958 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164400 16440 40.209 -39484 4406.9 -43891 -43891 -0.21913 0.3431 0.10494 80311 2023-02-16 03:00:27,993 INFO [main.py:643]
{rank 0/100} MD step = 164500 step time: 00:00:00.020487 Performance: 314.572 ns/day 0.076 hours/ns 36.409 steps/s 2023-02-16 03:00:28,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164500 16450 39.986 -39464 4382.5 -43847 -43847 -0.22037 0.34295 0.10529 80355 2023-02-16 03:00:30,694 INFO [main.py:643]
{rank 0/100} MD step = 164600 step time: 00:00:00.020358 Performance: 314.575 ns/day 0.076 hours/ns 36.409 steps/s 2023-02-16 03:00:31,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164600 16460 40.359 -39401 4423.4 -43825 -43825 -0.22095 0.34186 0.10521 80427 2023-02-16 03:00:33,422 INFO [main.py:643]
{rank 0/100} MD step = 164700 step time: 00:00:00.020526 Performance: 314.577 ns/day 0.076 hours/ns 36.409 steps/s 2023-02-16 03:00:34,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164700 16470 39.667 -39499 4347.5 -43847 -43847 -0.22116 0.34204 0.10547 80475 2023-02-16 03:00:36,114 INFO [main.py:643]
{rank 0/100} MD step = 164800 step time: 00:00:00.020576 Performance: 314.581 ns/day 0.076 hours/ns 36.410 steps/s 2023-02-16 03:00:36,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164800 16480 40.212 -39340 4407.3 -43748 -43748 -0.22006 0.34217 0.10534 80511 2023-02-16 03:00:38,900 INFO [main.py:643]
{rank 0/100} MD step = 164900 step time: 00:00:00.020381 Performance: 314.578 ns/day 0.076 hours/ns 36.409 steps/s 2023-02-16 03:00:39,378 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164900 16490 40.456 -39403 4434 -43837 -43837 -0.2215 0.34368 0.10442 80556 2023-02-16 03:00:41,553 INFO [main.py:643]
{rank 0/100} MD step = 165000 step time: 00:00:00.020821 Performance: 314.584 ns/day 0.076 hours/ns 36.410 steps/s 2023-02-16 03:00:42,145 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165000 16500 40.16 -39436 4401.6 -43838 -43838 -0.22159 0.34442 0.10474 80619 2023-02-16 03:00:44,195 INFO [main.py:643]
{rank 0/100} MD step = 165100 step time: 00:00:00.021349 Performance: 314.592 ns/day 0.076 hours/ns 36.411 steps/s 2023-02-16 03:00:44,806 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165100 16510 39.728 -39530 4354.2 -43884 -43884 -0.22033 0.34383 0.1042 80663 2023-02-16 03:00:46,864 INFO [main.py:643]
{rank 0/100} MD step = 165200 step time: 00:00:00.021449 Performance: 314.597 ns/day 0.076 hours/ns 36.412 steps/s 2023-02-16 03:00:47,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165200 16520 40.534 -39357 4442.5 -43799 -43799 -0.22075 0.34408 0.10417 80727 2023-02-16 03:00:49,621 INFO [main.py:643]
{rank 0/100} MD step = 165300 step time: 00:00:00.020574 Performance: 314.596 ns/day 0.076 hours/ns 36.412 steps/s 2023-02-16 03:00:50,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165300 16530 39.734 -39461 4354.9 -43816 -43816 -0.21954 0.34416 0.105 80776 2023-02-16 03:00:52,287 INFO [main.py:643]
{rank 0/100} MD step = 165400 step time: 00:00:00.020504 Performance: 314.602 ns/day 0.076 hours/ns 36.412 steps/s 2023-02-16 03:00:52,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165400 16540 39.965 -39400 4380.3 -43780 -43780 -0.21848 0.34428 0.1049 80824 2023-02-16 03:00:54,926 INFO [main.py:643]
{rank 0/100} MD step = 165500 step time: 00:00:00.020458 Performance: 314.609 ns/day 0.076 hours/ns 36.413 steps/s 2023-02-16 03:00:55,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165500 16550 40.015 -39402 4385.7 -43787 -43787 -0.21873 0.34414 0.10484 80859 2023-02-16 03:00:57,712 INFO [main.py:643]
{rank 0/100} MD step = 165600 step time: 00:00:00.020502 Performance: 314.606 ns/day 0.076 hours/ns 36.413 steps/s 2023-02-16 03:00:58,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165600 16560 40.536 -39401 4442.8 -43844 -43844 -0.21864 0.34373 0.10367 80908 2023-02-16 03:01:00,393 INFO [main.py:643]
{rank 0/100} MD step = 165700 step time: 00:00:00.020704 Performance: 314.611 ns/day 0.076 hours/ns 36.413 steps/s 2023-02-16 03:01:01,041 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165700 16570 40.104 -39484 4395.4 -43880 -43880 -0.21912 0.34342 0.10382 80957 2023-02-16 03:01:03,107 INFO [main.py:643]
{rank 0/100} MD step = 165800 step time: 00:00:00.020357 Performance: 314.613 ns/day 0.076 hours/ns 36.414 steps/s 2023-02-16 03:01:03,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165800 16580 39.974 -39407 4381.2 -43788 -43788 -0.22016 0.34369 0.10416 81008 2023-02-16 03:01:05,762 INFO [main.py:643]
{rank 0/100} MD step = 165900 step time: 00:00:00.020458 Performance: 314.619 ns/day 0.076 hours/ns 36.414 steps/s 2023-02-16 03:01:06,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165900 16590 40.853 -39347 4477.6 -43825 -43825 -0.21999 0.34379 0.10373 81049 2023-02-16 03:01:08,457 INFO [main.py:643]
{rank 0/100} MD step = 166000 step time: 00:00:00.020446 Performance: 314.623 ns/day 0.076 hours/ns 36.415 steps/s 2023-02-16 03:01:09,071 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166000 16600 40.163 -39491 4401.9 -43893 -43893 -0.22015 0.34438 0.10404 81080 2023-02-16 03:01:11,100 INFO [main.py:643]
{rank 0/100} MD step = 166100 step time: 00:00:00.020453 Performance: 314.630 ns/day 0.076 hours/ns 36.416 steps/s 2023-02-16 03:01:11,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166100 16610 40.281 -39401 4414.8 -43816 -43816 -0.2194 0.34375 0.1043 81134 2023-02-16 03:01:13,774 INFO [main.py:643]
{rank 0/100} MD step = 166200 step time: 00:00:00.020728 Performance: 314.635 ns/day 0.076 hours/ns 36.416 steps/s 2023-02-16 03:01:14,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166200 16620 39.874 -39547 4370.3 -43917 -43917 -0.21921 0.34434 0.10345 81196 2023-02-16 03:01:16,454 INFO [main.py:643]
{rank 0/100} MD step = 166300 step time: 00:00:00.020442 Performance: 314.640 ns/day 0.076 hours/ns 36.417 steps/s 2023-02-16 03:01:16,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166300 16630 40.203 -39414 4406.3 -43821 -43821 -0.22047 0.34446 0.10403 81243 2023-02-16 03:01:19,125 INFO [main.py:643]
{rank 0/100} MD step = 166400 step time: 00:00:00.020395 Performance: 314.645 ns/day 0.076 hours/ns 36.417 steps/s 2023-02-16 03:01:19,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166400 16640 40.213 -39397 4407.4 -43805 -43805 -0.22087 0.34482 0.10412 81306 2023-02-16 03:01:21,896 INFO [main.py:643]
{rank 0/100} MD step = 166500 step time: 00:00:00.020343 Performance: 314.643 ns/day 0.076 hours/ns 36.417 steps/s 2023-02-16 03:01:22,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166500 16650 40.253 -39479 4411.8 -43891 -43891 -0.22148 0.34451 0.10492 81349 2023-02-16 03:01:24,594 INFO [main.py:643]
{rank 0/100} MD step = 166600 step time: 00:00:00.020405 Performance: 314.646 ns/day 0.076 hours/ns 36.417 steps/s 2023-02-16 03:01:24,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166600 16660 39.67 -39480 4347.9 -43828 -43828 -0.22196 0.3452 0.10494 81407 2023-02-16 03:01:27,275 INFO [main.py:643]
{rank 0/100} MD step = 166700 step time: 00:00:00.020472 Performance: 314.651 ns/day 0.076 hours/ns 36.418 steps/s 2023-02-16 03:01:27,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166700 16670 40.797 -39320 4471.4 -43791 -43791 -0.22283 0.3453 0.10518 81450 2023-02-16 03:01:29,976 INFO [main.py:643]
{rank 0/100} MD step = 166800 step time: 00:00:00.020477 Performance: 314.654 ns/day 0.076 hours/ns 36.418 steps/s 2023-02-16 03:01:30,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166800 16680 40.166 -39389 4402.3 -43792 -43792 -0.22333 0.34521 0.10607 81506 2023-02-16 03:01:32,711 INFO [main.py:643]
{rank 0/100} MD step = 166900 step time: 00:00:00.020459 Performance: 314.655 ns/day 0.076 hours/ns 36.418 steps/s 2023-02-16 03:01:33,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166900 16690 40.053 -39469 4389.9 -43859 -43859 -0.22359 0.34564 0.10733 81535 2023-02-16 03:01:35,383 INFO [main.py:643]
{rank 0/100} MD step = 167000 step time: 00:00:00.020499 Performance: 314.660 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:01:35,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167000 16700 40.233 -39394 4409.6 -43804 -43804 -0.2254 0.34617 0.10785 81595 2023-02-16 03:01:38,100 INFO [main.py:643]
{rank 0/100} MD step = 167100 step time: 00:00:00.020433 Performance: 314.662 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:01:38,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167100 16710 40.039 -39507 4388.3 -43895 -43895 -0.22696 0.34712 0.10745 81632 2023-02-16 03:01:40,838 INFO [main.py:643]
{rank 0/100} MD step = 167200 step time: 00:00:00.020453 Performance: 314.662 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:01:41,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167200 16720 39.911 -39487 4374.3 -43861 -43861 -0.22769 0.34718 0.10823 81689 2023-02-16 03:01:43,541 INFO [main.py:643]
{rank 0/100} MD step = 167300 step time: 00:00:00.020581 Performance: 314.665 ns/day 0.076 hours/ns 36.420 steps/s 2023-02-16 03:01:44,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167300 16730 39.763 -39530 4358.1 -43889 -43889 -0.22683 0.34756 0.108 81733 2023-02-16 03:01:46,339 INFO [main.py:643]
{rank 0/100} MD step = 167400 step time: 00:00:00.020322 Performance: 314.662 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:01:47,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167400 16740 39.818 -39449 4364.2 -43813 -43813 -0.22667 0.34799 0.10766 81779 2023-02-16 03:01:49,184 INFO [main.py:643]
{rank 0/100} MD step = 167500 step time: 00:00:00.020469 Performance: 314.655 ns/day 0.076 hours/ns 36.418 steps/s 2023-02-16 03:01:49,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167500 16750 40.318 -39410 4418.9 -43829 -43829 -0.22644 0.34846 0.10822 81842 2023-02-16 03:01:51,938 INFO [main.py:643]
{rank 0/100} MD step = 167600 step time: 00:00:00.020433 Performance: 314.654 ns/day 0.076 hours/ns 36.418 steps/s 2023-02-16 03:01:52,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167600 16760 39.914 -39420 4374.6 -43794 -43794 -0.227 0.3481 0.10862 81894 2023-02-16 03:01:54,595 INFO [main.py:643]
{rank 0/100} MD step = 167700 step time: 00:00:00.020380 Performance: 314.660 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:01:55,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167700 16770 40.179 -39360 4403.7 -43763 -43763 -0.22611 0.3487 0.10938 81952 2023-02-16 03:01:57,369 INFO [main.py:643]
{rank 0/100} MD step = 167800 step time: 00:00:00.020366 Performance: 314.658 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:01:57,904 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167800 16780 39.796 -39501 4361.7 -43863 -43863 -0.22757 0.34922 0.10945 81989 2023-02-16 03:02:00,036 INFO [main.py:643]
{rank 0/100} MD step = 167900 step time: 00:00:00.020470 Performance: 314.664 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:02:00,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167900 16790 39.782 -39479 4360.1 -43839 -43839 -0.22839 0.34961 0.10943 82047 2023-02-16 03:02:02,769 INFO [main.py:643]
{rank 0/100} MD step = 168000 step time: 00:00:00.020280 Performance: 314.665 ns/day 0.076 hours/ns 36.420 steps/s 2023-02-16 03:02:03,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168000 16800 39.223 -39549 4298.9 -43848 -43848 -0.22856 0.3493 0.10823 82075 2023-02-16 03:02:05,498 INFO [main.py:643]
{rank 0/100} MD step = 168100 step time: 00:00:00.020422 Performance: 314.666 ns/day 0.076 hours/ns 36.420 steps/s 2023-02-16 03:02:06,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168100 16810 40.49 -39458 4437.8 -43896 -43896 -0.22651 0.34945 0.10886 82120 2023-02-16 03:02:08,160 INFO [main.py:643]
{rank 0/100} MD step = 168200 step time: 00:00:00.020504 Performance: 314.672 ns/day 0.076 hours/ns 36.420 steps/s 2023-02-16 03:02:08,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168200 16820 39.985 -39336 4382.4 -43718 -43718 -0.22653 0.34906 0.10899 82193 2023-02-16 03:02:10,864 INFO [main.py:643]
{rank 0/100} MD step = 168300 step time: 00:00:00.020720 Performance: 314.674 ns/day 0.076 hours/ns 36.421 steps/s 2023-02-16 03:02:11,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168300 16830 39.837 -39457 4366.1 -43823 -43823 -0.22733 0.34967 0.1101 82256 2023-02-16 03:02:13,524 INFO [main.py:643]
{rank 0/100} MD step = 168400 step time: 00:00:00.020472 Performance: 314.680 ns/day 0.076 hours/ns 36.421 steps/s 2023-02-16 03:02:14,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168400 16840 40.056 -39420 4390.2 -43810 -43810 -0.22767 0.3495 0.10933 82306 2023-02-16 03:02:16,606 INFO [main.py:643]
{rank 0/100} MD step = 168500 step time: 00:00:00.020439 Performance: 314.657 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:02:17,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168500 16850 39.936 -39469 4377.1 -43846 -43846 -0.22832 0.34973 0.10998 82357 2023-02-16 03:02:19,285 INFO [main.py:643]
{rank 0/100} MD step = 168600 step time: 00:00:00.020469 Performance: 314.662 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:02:19,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168600 16860 39.611 -39500 4341.4 -43841 -43841 -0.22882 0.3493 0.10982 82416 2023-02-16 03:02:21,990 INFO [main.py:643]
{rank 0/100} MD step = 168700 step time: 00:00:00.020455 Performance: 314.665 ns/day 0.076 hours/ns 36.420 steps/s 2023-02-16 03:02:22,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168700 16870 40.263 -39364 4412.9 -43777 -43777 -0.22773 0.34951 0.1091 82450 2023-02-16 03:02:24,671 INFO [main.py:643]
{rank 0/100} MD step = 168800 step time: 00:00:00.020595 Performance: 314.669 ns/day 0.076 hours/ns 36.420 steps/s 2023-02-16 03:02:25,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168800 16880 40.3 -39401 4416.9 -43818 -43818 -0.22749 0.34911 0.10995 82496 2023-02-16 03:02:27,346 INFO [main.py:643]
{rank 0/100} MD step = 168900 step time: 00:00:00.020434 Performance: 314.674 ns/day 0.076 hours/ns 36.421 steps/s 2023-02-16 03:02:28,022 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168900 16890 39.699 -39450 4351 -43801 -43801 -0.22885 0.34941 0.10974 82538 2023-02-16 03:02:30,311 INFO [main.py:643]
{rank 0/100} MD step = 169000 step time: 00:00:00.023910 Performance: 314.659 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:02:30,907 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169000 16900 39.492 -39520 4328.4 -43849 -43849 -0.22874 0.34991 0.1097 82593 2023-02-16 03:02:33,128 INFO [main.py:643]
{rank 0/100} MD step = 169100 step time: 00:00:00.023808 Performance: 314.654 ns/day 0.076 hours/ns 36.418 steps/s 2023-02-16 03:02:33,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169100 16910 39.366 -39594 4314.6 -43909 -43909 -0.22622 0.35105 0.10995 82646 2023-02-16 03:02:35,815 INFO [main.py:643]
{rank 0/100} MD step = 169200 step time: 00:00:00.020459 Performance: 314.658 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:02:36,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169200 16920 40.427 -39467 4430.9 -43898 -43898 -0.22604 0.35145 0.1095 82690 2023-02-16 03:02:38,509 INFO [main.py:643]
{rank 0/100} MD step = 169300 step time: 00:00:00.020511 Performance: 314.662 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:02:39,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169300 16930 40.05 -39495 4389.5 -43884 -43884 -0.22544 0.35013 0.1102 82753 2023-02-16 03:02:41,215 INFO [main.py:643]
{rank 0/100} MD step = 169400 step time: 00:00:00.020490 Performance: 314.664 ns/day 0.076 hours/ns 36.419 steps/s 2023-02-16 03:02:41,730 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169400 16940 40.632 -39372 4453.3 -43826 -43826 -0.22601 0.35009 0.10967 82800 2023-02-16 03:02:43,851 INFO [main.py:643]
{rank 0/100} MD step = 169500 step time: 00:00:00.020553 Performance: 314.672 ns/day 0.076 hours/ns 36.420 steps/s 2023-02-16 03:02:44,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169500 16950 39.902 -39551 4373.3 -43924 -43924 -0.22577 0.35003 0.1085 82857 2023-02-16 03:02:46,549 INFO [main.py:643]
{rank 0/100} MD step = 169600 step time: 00:00:00.020551 Performance: 314.675 ns/day 0.076 hours/ns 36.421 steps/s 2023-02-16 03:02:47,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169600 16960 39.952 -39469 4378.8 -43848 -43848 -0.22611 0.35073 0.10817 82916 2023-02-16 03:02:49,236 INFO [main.py:643]
{rank 0/100} MD step = 169700 step time: 00:00:00.020699 Performance: 314.679 ns/day 0.076 hours/ns 36.421 steps/s 2023-02-16 03:02:49,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169700 16970 39.567 -39466 4336.6 -43802 -43802 -0.22719 0.34991 0.10848 82964 2023-02-16 03:02:51,949 INFO [main.py:643]
{rank 0/100} MD step = 169800 step time: 00:00:00.020303 Performance: 314.681 ns/day 0.076 hours/ns 36.421 steps/s 2023-02-16 03:02:52,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169800 16980 39.706 -39538 4351.8 -43890 -43890 -0.22762 0.34971 0.10958 83022 2023-02-16 03:02:54,582 INFO [main.py:643]
{rank 0/100} MD step = 169900 step time: 00:00:00.020383 Performance: 314.689 ns/day 0.076 hours/ns 36.422 steps/s 2023-02-16 03:02:55,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169900 16990 39.626 -39511 4343 -43854 -43854 -0.22661 0.34866 0.10993 83067 2023-02-16 03:02:57,262 INFO [main.py:643]
{rank 0/100} MD step = 170000 step time: 00:00:00.020483 Performance: 314.693 ns/day 0.076 hours/ns 36.423 steps/s 2023-02-16 03:02:57,907 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170000 17000 39.496 -39542 4328.8 -43871 -43871 -0.22699 0.34897 0.10976 83096 2023-02-16 03:03:00,021 INFO [main.py:643]
{rank 0/100} MD step = 170100 step time: 00:00:00.020567 Performance: 314.692 ns/day 0.076 hours/ns 36.423 steps/s 2023-02-16 03:03:00,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170100 17010 39.895 -39466 4372.5 -43839 -43839 -0.22726 0.34956 0.10964 83145 2023-02-16 03:03:02,679 INFO [main.py:643]
{rank 0/100} MD step = 170200 step time: 00:00:00.020398 Performance: 314.698 ns/day 0.076 hours/ns 36.423 steps/s 2023-02-16 03:03:03,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170200 17020 39.699 -39580 4351.1 -43931 -43931 -0.22637 0.34978 0.10846 83204 2023-02-16 03:03:05,389 INFO [main.py:643]
{rank 0/100} MD step = 170300 step time: 00:00:00.020435 Performance: 314.701 ns/day 0.076 hours/ns 36.424 steps/s 2023-02-16 03:03:05,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170300 17030 39.149 -39550 4290.8 -43841 -43841 -0.22604 0.34994 0.10864 83265 2023-02-16 03:03:08,024 INFO [main.py:643]
{rank 0/100} MD step = 170400 step time: 00:00:00.020499 Performance: 314.708 ns/day 0.076 hours/ns 36.425 steps/s 2023-02-16 03:03:08,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170400 17040 40.055 -39494 4390.1 -43884 -43884 -0.22565 0.34964 0.10894 83309 2023-02-16 03:03:10,736 INFO [main.py:643]
{rank 0/100} MD step = 170500 step time: 00:00:00.020338 Performance: 314.710 ns/day 0.076 hours/ns 36.425 steps/s 2023-02-16 03:03:11,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170500 17050 40.339 -39482 4421.1 -43903 -43903 -0.22448 0.34962 0.10945 83354 2023-02-16 03:03:13,407 INFO [main.py:643]
{rank 0/100} MD step = 170600 step time: 00:00:00.020338 Performance: 314.715 ns/day 0.076 hours/ns 36.425 steps/s 2023-02-16 03:03:14,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170600 17060 39.699 -39540 4351 -43891 -43891 -0.22466 0.35023 0.10949 83425 2023-02-16 03:03:16,158 INFO [main.py:643]
{rank 0/100} MD step = 170700 step time: 00:00:00.020356 Performance: 314.715 ns/day 0.076 hours/ns 36.425 steps/s 2023-02-16 03:03:16,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170700 17070 39.535 -39520 4333.1 -43853 -43853 -0.22495 0.35008 0.10949 83466 2023-02-16 03:03:18,841 INFO [main.py:643]
{rank 0/100} MD step = 170800 step time: 00:00:00.020519 Performance: 314.719 ns/day 0.076 hours/ns 36.426 steps/s 2023-02-16 03:03:19,533 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170800 17080 40.155 -39454 4401 -43855 -43855 -0.22437 0.35036 0.10905 83533 2023-02-16 03:03:21,594 INFO [main.py:643]
{rank 0/100} MD step = 170900 step time: 00:00:00.020571 Performance: 314.718 ns/day 0.076 hours/ns 36.426 steps/s 2023-02-16 03:03:22,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170900 17090 39.863 -39457 4369 -43826 -43826 -0.2247 0.35027 0.10996 83568 2023-02-16 03:03:24,235 INFO [main.py:643]
{rank 0/100} MD step = 171000 step time: 00:00:00.020548 Performance: 314.726 ns/day 0.076 hours/ns 36.427 steps/s 2023-02-16 03:03:24,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171000 17100 40.004 -39487 4384.5 -43871 -43871 -0.22489 0.35031 0.11027 83624 2023-02-16 03:03:26,926 INFO [main.py:643]
{rank 0/100} MD step = 171100 step time: 00:00:00.020413 Performance: 314.729 ns/day 0.076 hours/ns 36.427 steps/s 2023-02-16 03:03:27,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171100 17110 40.061 -39481 4390.7 -43872 -43872 -0.22434 0.35068 0.10904 83683 2023-02-16 03:03:29,591 INFO [main.py:643]
{rank 0/100} MD step = 171200 step time: 00:00:00.021513 Performance: 314.735 ns/day 0.076 hours/ns 36.428 steps/s 2023-02-16 03:03:30,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171200 17120 39.707 -39469 4352 -43821 -43821 -0.22578 0.35007 0.10915 83722 2023-02-16 03:03:32,381 INFO [main.py:643]
{rank 0/100} MD step = 171300 step time: 00:00:00.020526 Performance: 314.732 ns/day 0.076 hours/ns 36.427 steps/s 2023-02-16 03:03:32,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171300 17130 40.008 -39465 4385 -43850 -43850 -0.22501 0.35004 0.10951 83781 2023-02-16 03:03:35,017 INFO [main.py:643]
{rank 0/100} MD step = 171400 step time: 00:00:00.020533 Performance: 314.739 ns/day 0.076 hours/ns 36.428 steps/s 2023-02-16 03:03:35,959 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171400 17140 40.122 -39485 4397.4 -43882 -43882 -0.22512 0.35175 0.10954 83815 2023-02-16 03:03:37,989 INFO [main.py:643]
{rank 0/100} MD step = 171500 step time: 00:00:00.020469 Performance: 314.724 ns/day 0.076 hours/ns 36.426 steps/s 2023-02-16 03:03:38,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171500 17150 39.962 -39440 4379.9 -43820 -43820 -0.22451 0.35286 0.11003 83871 2023-02-16 03:03:40,682 INFO [main.py:643]
{rank 0/100} MD step = 171600 step time: 00:00:00.020518 Performance: 314.727 ns/day 0.076 hours/ns 36.427 steps/s 2023-02-16 03:03:41,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171600 17160 39.609 -39482 4341.2 -43823 -43823 -0.22381 0.3532 0.10993 83931 2023-02-16 03:03:43,396 INFO [main.py:643]
{rank 0/100} MD step = 171700 step time: 00:00:00.020429 Performance: 314.729 ns/day 0.076 hours/ns 36.427 steps/s 2023-02-16 03:03:43,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171700 17170 39.886 -39501 4371.6 -43872 -43872 -0.22381 0.3529 0.10904 83967 2023-02-16 03:03:46,015 INFO [main.py:643]
{rank 0/100} MD step = 171800 step time: 00:00:00.020439 Performance: 314.738 ns/day 0.076 hours/ns 36.428 steps/s 2023-02-16 03:03:46,530 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171800 17180 39.993 -39468 4383.3 -43852 -43852 -0.2222 0.35346 0.1094 84026 2023-02-16 03:03:48,694 INFO [main.py:643]
{rank 0/100} MD step = 171900 step time: 00:00:00.020540 Performance: 314.742 ns/day 0.076 hours/ns 36.428 steps/s 2023-02-16 03:03:49,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171900 17190 39.994 -39472 4383.4 -43855 -43855 -0.22322 0.35404 0.11043 84074 2023-02-16 03:03:51,328 INFO [main.py:643]
{rank 0/100} MD step = 172000 step time: 00:00:00.020547 Performance: 314.749 ns/day 0.076 hours/ns 36.429 steps/s 2023-02-16 03:03:52,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172000 17200 39.456 -39513 4324.5 -43837 -43837 -0.22424 0.35476 0.1108 84128 2023-02-16 03:03:54,045 INFO [main.py:643]
{rank 0/100} MD step = 172100 step time: 00:00:00.020512 Performance: 314.751 ns/day 0.076 hours/ns 36.430 steps/s 2023-02-16 03:03:54,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172100 17210 39.184 -39600 4294.6 -43895 -43895 -0.22502 0.35464 0.11119 84161 2023-02-16 03:03:56,930 INFO [main.py:643]
{rank 0/100} MD step = 172200 step time: 00:00:00.020563 Performance: 314.742 ns/day 0.076 hours/ns 36.428 steps/s 2023-02-16 03:03:57,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172200 17220 40.05 -39473 4389.5 -43862 -43862 -0.22549 0.35503 0.11019 84205 2023-02-16 03:03:59,618 INFO [main.py:643]
{rank 0/100} MD step = 172300 step time: 00:00:00.020444 Performance: 314.746 ns/day 0.076 hours/ns 36.429 steps/s 2023-02-16 03:04:00,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172300 17230 39.866 -39491 4369.4 -43861 -43861 -0.22556 0.35543 0.11041 84277 2023-02-16 03:04:02,265 INFO [main.py:643]
{rank 0/100} MD step = 172400 step time: 00:00:00.020451 Performance: 314.752 ns/day 0.076 hours/ns 36.430 steps/s 2023-02-16 03:04:02,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172400 17240 39.768 -39479 4358.7 -43837 -43837 -0.22665 0.35421 0.11014 84324 2023-02-16 03:04:04,928 INFO [main.py:643]
{rank 0/100} MD step = 172500 step time: 00:00:00.020382 Performance: 314.758 ns/day 0.076 hours/ns 36.430 steps/s 2023-02-16 03:04:05,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172500 17250 40.116 -39427 4396.8 -43824 -43824 -0.2271 0.35381 0.11031 84357 2023-02-16 03:04:07,587 INFO [main.py:643]
{rank 0/100} MD step = 172600 step time: 00:00:00.020435 Performance: 314.763 ns/day 0.076 hours/ns 36.431 steps/s 2023-02-16 03:04:08,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172600 17260 39.701 -39507 4351.3 -43858 -43858 -0.2263 0.3536 0.1096 84409 2023-02-16 03:04:10,267 INFO [main.py:643]
{rank 0/100} MD step = 172700 step time: 00:00:00.020371 Performance: 314.768 ns/day 0.076 hours/ns 36.431 steps/s 2023-02-16 03:04:10,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172700 17270 40.46 -39404 4434.4 -43838 -43838 -0.2265 0.35421 0.11018 84452 2023-02-16 03:04:13,031 INFO [main.py:643]
{rank 0/100} MD step = 172800 step time: 00:00:00.020463 Performance: 314.767 ns/day 0.076 hours/ns 36.431 steps/s 2023-02-16 03:04:13,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172800 17280 40.407 -39477 4428.6 -43906 -43906 -0.22556 0.35489 0.10981 84508 2023-02-16 03:04:15,709 INFO [main.py:643]
{rank 0/100} MD step = 172900 step time: 00:00:00.020414 Performance: 314.771 ns/day 0.076 hours/ns 36.432 steps/s 2023-02-16 03:04:16,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172900 17290 40.006 -39398 4384.7 -43782 -43782 -0.22603 0.35564 0.1093 84545 2023-02-16 03:04:18,439 INFO [main.py:643]
{rank 0/100} MD step = 173000 step time: 00:00:00.020321 Performance: 314.772 ns/day 0.076 hours/ns 36.432 steps/s 2023-02-16 03:04:19,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173000 17300 39.588 -39456 4338.9 -43795 -43795 -0.22677 0.35514 0.10935 84585 2023-02-16 03:04:21,061 INFO [main.py:643]
{rank 0/100} MD step = 173100 step time: 00:00:00.020469 Performance: 314.780 ns/day 0.076 hours/ns 36.433 steps/s 2023-02-16 03:04:21,869 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173100 17310 40.04 -39445 4388.5 -43833 -43833 -0.22679 0.35552 0.11089 84645 2023-02-16 03:04:23,896 INFO [main.py:643]
{rank 0/100} MD step = 173200 step time: 00:00:00.020397 Performance: 314.774 ns/day 0.076 hours/ns 36.432 steps/s 2023-02-16 03:04:24,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173200 17320 40.259 -39411 4412.5 -43823 -43823 -0.22719 0.35587 0.11152 84670 2023-02-16 03:04:26,611 INFO [main.py:643]
{rank 0/100} MD step = 173300 step time: 00:00:00.020537 Performance: 314.776 ns/day 0.076 hours/ns 36.432 steps/s 2023-02-16 03:04:27,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173300 17330 40.495 -39369 4438.4 -43808 -43808 -0.22624 0.35516 0.11271 84737 2023-02-16 03:04:29,326 INFO [main.py:643]
{rank 0/100} MD step = 173400 step time: 00:00:00.020333 Performance: 314.778 ns/day 0.076 hours/ns 36.433 steps/s 2023-02-16 03:04:29,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173400 17340 39.889 -39474 4371.9 -43845 -43845 -0.22563 0.35585 0.11235 84787 2023-02-16 03:04:32,015 INFO [main.py:643]
{rank 0/100} MD step = 173500 step time: 00:00:00.020469 Performance: 314.782 ns/day 0.076 hours/ns 36.433 steps/s 2023-02-16 03:04:32,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173500 17350 40.178 -39482 4403.5 -43885 -43885 -0.22452 0.35586 0.11288 84835 2023-02-16 03:04:34,716 INFO [main.py:643]
{rank 0/100} MD step = 173600 step time: 00:00:00.020380 Performance: 314.785 ns/day 0.076 hours/ns 36.433 steps/s 2023-02-16 03:04:35,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173600 17360 40.424 -39427 4430.5 -43858 -43858 -0.22512 0.3561 0.11326 84897 2023-02-16 03:04:37,462 INFO [main.py:643]
{rank 0/100} MD step = 173700 step time: 00:00:00.020392 Performance: 314.785 ns/day 0.076 hours/ns 36.433 steps/s 2023-02-16 03:04:38,061 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173700 17370 39.888 -39422 4371.8 -43794 -43794 -0.22615 0.35648 0.1135 84934 2023-02-16 03:04:40,197 INFO [main.py:643]
{rank 0/100} MD step = 173800 step time: 00:00:00.020521 Performance: 314.785 ns/day 0.076 hours/ns 36.433 steps/s 2023-02-16 03:04:40,624 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173800 17380 40.71 -39435 4461.9 -43897 -43897 -0.22615 0.35678 0.11297 84982 2023-02-16 03:04:42,867 INFO [main.py:643]
{rank 0/100} MD step = 173900 step time: 00:00:00.020482 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:04:43,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173900 17390 39.49 -39511 4328.1 -43839 -43839 -0.22654 0.35684 0.11298 85039 2023-02-16 03:04:45,528 INFO [main.py:643]
{rank 0/100} MD step = 174000 step time: 00:00:00.020465 Performance: 314.796 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:04:46,082 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174000 17400 39.796 -39447 4361.6 -43809 -43809 -0.22562 0.35664 0.11208 85082 2023-02-16 03:04:48,253 INFO [main.py:643]
{rank 0/100} MD step = 174100 step time: 00:00:00.021873 Performance: 314.797 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:04:48,730 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174100 17410 40.233 -39496 4409.6 -43906 -43906 -0.22553 0.35705 0.11404 85131 2023-02-16 03:04:50,921 INFO [main.py:643]
{rank 0/100} MD step = 174200 step time: 00:00:00.020442 Performance: 314.802 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:04:51,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174200 17420 39.392 -39560 4317.4 -43878 -43878 -0.22599 0.35695 0.11336 85175 2023-02-16 03:04:53,771 INFO [main.py:643]
{rank 0/100} MD step = 174300 step time: 00:00:00.020510 Performance: 314.795 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:04:54,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174300 17430 40.193 -39429 4405.2 -43834 -43834 -0.22721 0.35746 0.11239 85243 2023-02-16 03:04:56,449 INFO [main.py:643]
{rank 0/100} MD step = 174400 step time: 00:00:00.020430 Performance: 314.799 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:04:56,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174400 17440 40.74 -39435 4465.1 -43901 -43901 -0.22711 0.35795 0.11249 85291 2023-02-16 03:04:59,179 INFO [main.py:643]
{rank 0/100} MD step = 174500 step time: 00:00:00.020518 Performance: 314.800 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:04:59,730 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174500 17450 39.542 -39484 4333.9 -43817 -43817 -0.22691 0.35893 0.11325 85332 2023-02-16 03:05:01,776 INFO [main.py:643]
{rank 0/100} MD step = 174600 step time: 00:00:00.020402 Performance: 314.810 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:05:02,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174600 17460 40.047 -39483 4389.2 -43872 -43872 -0.22685 0.35869 0.11363 85377 2023-02-16 03:05:04,473 INFO [main.py:643]
{rank 0/100} MD step = 174700 step time: 00:00:00.020556 Performance: 314.813 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:05:05,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174700 17470 40.261 -39360 4412.6 -43772 -43772 -0.22619 0.36014 0.11452 85430 2023-02-16 03:05:07,148 INFO [main.py:643]
{rank 0/100} MD step = 174800 step time: 00:00:00.020338 Performance: 314.818 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:05:07,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174800 17480 39.54 -39537 4333.6 -43871 -43871 -0.22697 0.3604 0.11374 85475 2023-02-16 03:05:09,864 INFO [main.py:643]
{rank 0/100} MD step = 174900 step time: 00:00:00.020541 Performance: 314.820 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:05:10,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174900 17490 39.63 -39455 4343.5 -43799 -43799 -0.2288 0.36037 0.11418 85524 2023-02-16 03:05:12,526 INFO [main.py:643]
{rank 0/100} MD step = 175000 step time: 00:00:00.020500 Performance: 314.825 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:05:13,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175000 17500 39.821 -39517 4364.4 -43881 -43881 -0.22708 0.36106 0.11528 85590 2023-02-16 03:05:15,225 INFO [main.py:643]
{rank 0/100} MD step = 175100 step time: 00:00:00.020493 Performance: 314.828 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:05:15,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175100 17510 39.81 -39427 4363.2 -43790 -43790 -0.226 0.36151 0.11624 85633 2023-02-16 03:05:17,923 INFO [main.py:643]
{rank 0/100} MD step = 175200 step time: 00:00:00.020402 Performance: 314.831 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:05:18,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175200 17520 39.762 -39480 4358 -43838 -43838 -0.226 0.36181 0.11739 85684 2023-02-16 03:05:20,714 INFO [main.py:643]
{rank 0/100} MD step = 175300 step time: 00:00:00.020492 Performance: 314.828 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:05:21,113 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175300 17530 40.083 -39479 4393.1 -43872 -43872 -0.22675 0.36189 0.11667 85726 2023-02-16 03:05:23,437 INFO [main.py:643]
{rank 0/100} MD step = 175400 step time: 00:00:00.020454 Performance: 314.829 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:05:24,014 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175400 17540 40.173 -39439 4403.1 -43842 -43842 -0.22798 0.36276 0.11628 85772 2023-02-16 03:05:26,122 INFO [main.py:643]
{rank 0/100} MD step = 175500 step time: 00:00:00.020598 Performance: 314.833 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:05:26,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175500 17550 39.877 -39497 4370.5 -43868 -43868 -0.22882 0.36265 0.11602 85827 2023-02-16 03:05:28,791 INFO [main.py:643]
{rank 0/100} MD step = 175600 step time: 00:00:00.020440 Performance: 314.838 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:29,375 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175600 17560 39.853 -39515 4367.9 -43883 -43883 -0.22926 0.36233 0.11676 85860 2023-02-16 03:05:31,470 INFO [main.py:643]
{rank 0/100} MD step = 175700 step time: 00:00:00.020473 Performance: 314.842 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:32,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175700 17570 40.002 -39401 4384.3 -43785 -43785 -0.22926 0.36208 0.11599 85918 2023-02-16 03:05:34,263 INFO [main.py:643]
{rank 0/100} MD step = 175800 step time: 00:00:00.020586 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:34,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175800 17580 39.856 -39459 4368.3 -43827 -43827 -0.23043 0.36137 0.11608 85956 2023-02-16 03:05:37,029 INFO [main.py:643]
{rank 0/100} MD step = 175900 step time: 00:00:00.020474 Performance: 314.838 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:37,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175900 17590 39.948 -39385 4378.3 -43763 -43763 -0.23107 0.36101 0.11624 86002 2023-02-16 03:05:39,755 INFO [main.py:643]
{rank 0/100} MD step = 176000 step time: 00:00:00.020443 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:40,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176000 17600 39.835 -39430 4366 -43796 -43796 -0.23087 0.36109 0.11616 86043 2023-02-16 03:05:42,480 INFO [main.py:643]
{rank 0/100} MD step = 176100 step time: 00:00:00.020497 Performance: 314.840 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:43,131 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176100 17610 40.087 -39425 4393.6 -43819 -43819 -0.2319 0.36023 0.11641 86089 2023-02-16 03:05:45,161 INFO [main.py:643]
{rank 0/100} MD step = 176200 step time: 00:00:00.020454 Performance: 314.844 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:45,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176200 17620 39.466 -39573 4325.5 -43899 -43899 -0.23125 0.36077 0.11612 86129 2023-02-16 03:05:47,934 INFO [main.py:643]
{rank 0/100} MD step = 176300 step time: 00:00:00.020446 Performance: 314.843 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:48,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176300 17630 40.061 -39429 4390.7 -43820 -43820 -0.23256 0.36074 0.11503 86176 2023-02-16 03:05:50,754 INFO [main.py:643]
{rank 0/100} MD step = 176400 step time: 00:00:00.020261 Performance: 314.838 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:51,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176400 17640 40.005 -39467 4384.7 -43852 -43852 -0.23146 0.36132 0.11561 86219 2023-02-16 03:05:53,461 INFO [main.py:643]
{rank 0/100} MD step = 176500 step time: 00:00:00.020520 Performance: 314.840 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:05:53,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176500 17650 40.377 -39418 4425.4 -43843 -43843 -0.23236 0.36168 0.11521 86267 2023-02-16 03:05:56,109 INFO [main.py:643]
{rank 0/100} MD step = 176600 step time: 00:00:00.020566 Performance: 314.846 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:05:56,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176600 17660 40.397 -39399 4427.6 -43826 -43826 -0.2317 0.3625 0.11503 86311 2023-02-16 03:05:58,814 INFO [main.py:643]
{rank 0/100} MD step = 176700 step time: 00:00:00.020470 Performance: 314.849 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:05:59,457 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176700 17670 40.21 -39412 4407.1 -43819 -43819 -0.22959 0.36299 0.11491 86356 2023-02-16 03:06:01,492 INFO [main.py:643]
{rank 0/100} MD step = 176800 step time: 00:00:00.020374 Performance: 314.853 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:06:02,205 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176800 17680 39.852 -39474 4367.8 -43842 -43842 -0.22817 0.36423 0.11484 86412 2023-02-16 03:06:04,240 INFO [main.py:643]
{rank 0/100} MD step = 176900 step time: 00:00:00.020559 Performance: 314.853 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:06:04,855 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176900 17690 40.422 -39418 4430.3 -43848 -43848 -0.22791 0.36433 0.11506 86453 2023-02-16 03:06:06,891 INFO [main.py:643]
{rank 0/100} MD step = 177000 step time: 00:00:00.020467 Performance: 314.859 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:06:08,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177000 17700 40.085 -39474 4393.3 -43868 -43868 -0.2281 0.36428 0.11598 86505 2023-02-16 03:06:10,765 INFO [main.py:643]
{rank 0/100} MD step = 177100 step time: 00:00:00.020344 Performance: 314.786 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:06:11,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177100 17710 39.865 -39424 4369.3 -43794 -43794 -0.22717 0.36358 0.11632 86569 2023-02-16 03:06:13,403 INFO [main.py:643]
{rank 0/100} MD step = 177200 step time: 00:00:00.020530 Performance: 314.793 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:06:13,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177200 17720 39.645 -39431 4345.1 -43776 -43776 -0.22833 0.36421 0.11599 86621 2023-02-16 03:06:16,590 INFO [main.py:643]
{rank 0/100} MD step = 177300 step time: 00:00:00.020465 Performance: 314.764 ns/day 0.076 hours/ns 36.431 steps/s 2023-02-16 03:06:17,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177300 17730 39.615 -39564 4341.9 -43906 -43906 -0.22731 0.36506 0.11646 86648 2023-02-16 03:06:19,797 INFO [main.py:643]
{rank 0/100} MD step = 177400 step time: 00:00:00.020422 Performance: 314.734 ns/day 0.076 hours/ns 36.428 steps/s 2023-02-16 03:06:20,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177400 17740 39.876 -39443 4370.4 -43814 -43814 -0.22771 0.36445 0.11618 86710 2023-02-16 03:06:22,491 INFO [main.py:643]
{rank 0/100} MD step = 177500 step time: 00:00:00.020606 Performance: 314.737 ns/day 0.076 hours/ns 36.428 steps/s 2023-02-16 03:06:23,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177500 17750 39.926 -39470 4376 -43846 -43846 -0.22824 0.36473 0.11576 86758 2023-02-16 03:06:25,154 INFO [main.py:643]
{rank 0/100} MD step = 177600 step time: 00:00:00.020342 Performance: 314.743 ns/day 0.076 hours/ns 36.429 steps/s 2023-02-16 03:06:26,047 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177600 17760 39.528 -39537 4332.3 -43869 -43869 -0.22693 0.3652 0.11579 86797 2023-02-16 03:06:28,077 INFO [main.py:643]
{rank 0/100} MD step = 177700 step time: 00:00:00.020503 Performance: 314.731 ns/day 0.076 hours/ns 36.427 steps/s 2023-02-16 03:06:28,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177700 17770 40.611 -39431 4451 -43882 -43882 -0.22643 0.36546 0.1151 86839 2023-02-16 03:06:30,804 INFO [main.py:643]
{rank 0/100} MD step = 177800 step time: 00:00:00.020410 Performance: 314.732 ns/day 0.076 hours/ns 36.427 steps/s 2023-02-16 03:06:31,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177800 17780 40.014 -39490 4385.6 -43875 -43875 -0.22586 0.36534 0.11562 86881 2023-02-16 03:06:33,462 INFO [main.py:643]
{rank 0/100} MD step = 177900 step time: 00:00:00.020375 Performance: 314.738 ns/day 0.076 hours/ns 36.428 steps/s 2023-02-16 03:06:33,947 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177900 17790 40.298 -39381 4416.7 -43798 -43798 -0.22627 0.36551 0.11441 86947 2023-02-16 03:06:36,120 INFO [main.py:643]
{rank 0/100} MD step = 178000 step time: 00:00:00.020452 Performance: 314.744 ns/day 0.076 hours/ns 36.429 steps/s 2023-02-16 03:06:36,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178000 17800 40.644 -39387 4454.6 -43842 -43842 -0.22701 0.36589 0.11351 86998 2023-02-16 03:06:38,809 INFO [main.py:643]
{rank 0/100} MD step = 178100 step time: 00:00:00.020434 Performance: 314.747 ns/day 0.076 hours/ns 36.429 steps/s 2023-02-16 03:06:39,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178100 17810 40.007 -39394 4384.8 -43779 -43779 -0.22796 0.36541 0.11388 87064 2023-02-16 03:06:41,559 INFO [main.py:643]
{rank 0/100} MD step = 178200 step time: 00:00:00.020406 Performance: 314.747 ns/day 0.076 hours/ns 36.429 steps/s 2023-02-16 03:06:42,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178200 17820 39.744 -39522 4356 -43878 -43878 -0.22823 0.36583 0.11318 87098 2023-02-16 03:06:44,294 INFO [main.py:643]
{rank 0/100} MD step = 178300 step time: 00:00:00.020538 Performance: 314.748 ns/day 0.076 hours/ns 36.429 steps/s 2023-02-16 03:06:44,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178300 17830 40.274 -39421 4414.1 -43835 -43835 -0.22835 0.36659 0.11326 87132 2023-02-16 03:06:46,979 INFO [main.py:643]
{rank 0/100} MD step = 178400 step time: 00:00:00.020563 Performance: 314.752 ns/day 0.076 hours/ns 36.430 steps/s 2023-02-16 03:06:47,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178400 17840 39.607 -39533 4340.9 -43874 -43874 -0.22785 0.36661 0.11382 87185 2023-02-16 03:06:49,689 INFO [main.py:643]
{rank 0/100} MD step = 178500 step time: 00:00:00.020493 Performance: 314.754 ns/day 0.076 hours/ns 36.430 steps/s 2023-02-16 03:06:50,332 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178500 17850 39.553 -39503 4335.1 -43838 -43838 -0.2276 0.36638 0.11366 87255 2023-02-16 03:06:52,362 INFO [main.py:643]
{rank 0/100} MD step = 178600 step time: 00:00:00.020342 Performance: 314.758 ns/day 0.076 hours/ns 36.430 steps/s 2023-02-16 03:06:52,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178600 17860 39.926 -39403 4376 -43779 -43779 -0.22777 0.36542 0.11418 87314 2023-02-16 03:06:54,996 INFO [main.py:643]
{rank 0/100} MD step = 178700 step time: 00:00:00.020539 Performance: 314.765 ns/day 0.076 hours/ns 36.431 steps/s 2023-02-16 03:06:55,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178700 17870 39.52 -39466 4331.5 -43798 -43798 -0.22773 0.36509 0.11433 87366 2023-02-16 03:06:57,675 INFO [main.py:643]
{rank 0/100} MD step = 178800 step time: 00:00:00.020596 Performance: 314.770 ns/day 0.076 hours/ns 36.432 steps/s 2023-02-16 03:06:58,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178800 17880 40.334 -39428 4420.7 -43848 -43848 -0.22606 0.36436 0.11258 87416 2023-02-16 03:07:00,366 INFO [main.py:643]
{rank 0/100} MD step = 178900 step time: 00:00:00.020410 Performance: 314.773 ns/day 0.076 hours/ns 36.432 steps/s 2023-02-16 03:07:01,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178900 17890 40.204 -39497 4406.4 -43904 -43904 -0.22577 0.36455 0.11256 87472 2023-02-16 03:07:03,033 INFO [main.py:643]
{rank 0/100} MD step = 179000 step time: 00:00:00.020423 Performance: 314.778 ns/day 0.076 hours/ns 36.433 steps/s 2023-02-16 03:07:03,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179000 17900 40.224 -39381 4408.6 -43789 -43789 -0.22712 0.36402 0.11361 87513 2023-02-16 03:07:05,677 INFO [main.py:643]
{rank 0/100} MD step = 179100 step time: 00:00:00.020418 Performance: 314.785 ns/day 0.076 hours/ns 36.433 steps/s 2023-02-16 03:07:06,332 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179100 17910 39.665 -39522 4347.3 -43869 -43869 -0.22726 0.36462 0.11357 87562 2023-02-16 03:07:08,375 INFO [main.py:643]
{rank 0/100} MD step = 179200 step time: 00:00:00.021636 Performance: 314.788 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:07:09,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179200 17920 39.501 -39553 4329.4 -43883 -43883 -0.22673 0.36438 0.11379 87607 2023-02-16 03:07:11,085 INFO [main.py:643]
{rank 0/100} MD step = 179300 step time: 00:00:00.020391 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:07:11,618 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179300 17930 39.943 -39448 4377.8 -43826 -43826 -0.225 0.36491 0.11363 87655 2023-02-16 03:07:13,795 INFO [main.py:643]
{rank 0/100} MD step = 179400 step time: 00:00:00.023044 Performance: 314.792 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:07:14,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179400 17940 39.37 -39534 4315 -43849 -43849 -0.22467 0.36534 0.11275 87711 2023-02-16 03:07:16,433 INFO [main.py:643]
{rank 0/100} MD step = 179500 step time: 00:00:00.020590 Performance: 314.799 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:07:17,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179500 17950 40.062 -39359 4390.9 -43750 -43750 -0.22533 0.36535 0.11258 87752 2023-02-16 03:07:19,216 INFO [main.py:643]
{rank 0/100} MD step = 179600 step time: 00:00:00.020480 Performance: 314.796 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:07:19,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179600 17960 40.822 -39289 4474.1 -43763 -43763 -0.22521 0.36514 0.11222 87813 2023-02-16 03:07:21,855 INFO [main.py:643]
{rank 0/100} MD step = 179700 step time: 00:00:00.020575 Performance: 314.803 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:07:22,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179700 17970 40.346 -39377 4421.9 -43799 -43799 -0.2259 0.36543 0.1116 87854 2023-02-16 03:07:24,694 INFO [main.py:643]
{rank 0/100} MD step = 179800 step time: 00:00:00.020486 Performance: 314.797 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:07:25,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179800 17980 40.171 -39416 4402.7 -43819 -43819 -0.22606 0.36589 0.11204 87910 2023-02-16 03:07:27,383 INFO [main.py:643]
{rank 0/100} MD step = 179900 step time: 00:00:00.020428 Performance: 314.801 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:07:27,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179900 17990 39.56 -39513 4335.9 -43849 -43849 -0.22621 0.36712 0.11239 87951 2023-02-16 03:07:30,036 INFO [main.py:643]
{rank 0/100} MD step = 180000 step time: 00:00:00.020448 Performance: 314.806 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:07:30,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180000 18000 39.273 -39435 4304.4 -43740 -43740 -0.22777 0.36697 0.11287 88003 2023-02-16 03:07:32,714 INFO [main.py:643]
{rank 0/100} MD step = 180100 step time: 00:00:00.020619 Performance: 314.811 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:07:33,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180100 18010 39.622 -39471 4342.7 -43814 -43814 -0.22626 0.36837 0.11309 88049 2023-02-16 03:07:35,371 INFO [main.py:643]
{rank 0/100} MD step = 180200 step time: 00:00:00.020402 Performance: 314.816 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:07:35,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180200 18020 40.244 -39454 4410.8 -43865 -43865 -0.22731 0.36846 0.11347 88098 2023-02-16 03:07:38,096 INFO [main.py:643]
{rank 0/100} MD step = 180300 step time: 00:00:00.020481 Performance: 314.818 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:07:38,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180300 18030 39.369 -39558 4314.9 -43873 -43873 -0.22767 0.36984 0.1125 88144 2023-02-16 03:07:40,789 INFO [main.py:643]
{rank 0/100} MD step = 180400 step time: 00:00:00.020374 Performance: 314.821 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:07:41,493 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180400 18040 39.823 -39471 4364.7 -43835 -43835 -0.22844 0.37033 0.11296 88190 2023-02-16 03:07:43,531 INFO [main.py:643]
{rank 0/100} MD step = 180500 step time: 00:00:00.020598 Performance: 314.821 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:07:43,992 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180500 18050 39.667 -39555 4347.5 -43903 -43903 -0.22859 0.37099 0.11283 88245 2023-02-16 03:07:46,194 INFO [main.py:643]
{rank 0/100} MD step = 180600 step time: 00:00:00.020454 Performance: 314.826 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:07:46,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180600 18060 40.009 -39478 4385.1 -43863 -43863 -0.22831 0.37212 0.11375 88282 2023-02-16 03:07:48,858 INFO [main.py:643]
{rank 0/100} MD step = 180700 step time: 00:00:00.020392 Performance: 314.831 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:07:49,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180700 18070 39.783 -39533 4360.3 -43893 -43893 -0.22897 0.37314 0.11383 88332 2023-02-16 03:07:51,546 INFO [main.py:643]
{rank 0/100} MD step = 180800 step time: 00:00:00.020499 Performance: 314.835 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:07:52,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180800 18080 40.111 -39442 4396.2 -43838 -43838 -0.22969 0.37167 0.11379 88388 2023-02-16 03:07:54,344 INFO [main.py:643]
{rank 0/100} MD step = 180900 step time: 00:00:00.020428 Performance: 314.831 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:07:55,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180900 18090 40.001 -39475 4384.2 -43859 -43859 -0.22959 0.37173 0.11517 88420 2023-02-16 03:07:57,087 INFO [main.py:643]
{rank 0/100} MD step = 181000 step time: 00:00:00.020472 Performance: 314.831 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:07:57,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181000 18100 40.531 -39492 4442.2 -43935 -43935 -0.229 0.37186 0.11559 88483 2023-02-16 03:07:59,799 INFO [main.py:643]
{rank 0/100} MD step = 181100 step time: 00:00:00.020782 Performance: 314.834 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:08:00,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181100 18110 39.144 -39463 4290.2 -43753 -43753 -0.22777 0.37151 0.11595 88541 2023-02-16 03:08:02,579 INFO [main.py:643]
{rank 0/100} MD step = 181200 step time: 00:00:00.020511 Performance: 314.831 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:08:03,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181200 18120 39.994 -39427 4383.4 -43810 -43810 -0.22801 0.37219 0.11679 88591 2023-02-16 03:08:05,435 INFO [main.py:643]
{rank 0/100} MD step = 181300 step time: 00:00:00.020642 Performance: 314.824 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:08:05,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181300 18130 39.654 -39497 4346.1 -43843 -43843 -0.22725 0.37145 0.11642 88643 2023-02-16 03:08:08,370 INFO [main.py:643]
{rank 0/100} MD step = 181400 step time: 00:00:00.021689 Performance: 314.812 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:08:09,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181400 18140 40.167 -39341 4402.4 -43743 -43743 -0.22815 0.3712 0.11591 88701 2023-02-16 03:08:11,414 INFO [main.py:643]
{rank 0/100} MD step = 181500 step time: 00:00:00.020480 Performance: 314.793 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:08:12,049 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181500 18150 40.731 -39377 4464.2 -43841 -43841 -0.22676 0.37115 0.11605 88742 2023-02-16 03:08:14,120 INFO [main.py:643]
{rank 0/100} MD step = 181600 step time: 00:00:00.020541 Performance: 314.796 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:08:14,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181600 18160 40.371 -39437 4424.8 -43862 -43862 -0.22725 0.37187 0.11664 88795 2023-02-16 03:08:16,828 INFO [main.py:643]
{rank 0/100} MD step = 181700 step time: 00:00:00.020594 Performance: 314.798 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:08:17,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181700 18170 39.955 -39489 4379.1 -43868 -43868 -0.22716 0.37202 0.11635 88857 2023-02-16 03:08:19,512 INFO [main.py:643]
{rank 0/100} MD step = 181800 step time: 00:00:00.020594 Performance: 314.802 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:08:20,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181800 18180 39.984 -39427 4382.3 -43809 -43809 -0.22641 0.37224 0.11648 88897 2023-02-16 03:08:22,208 INFO [main.py:643]
{rank 0/100} MD step = 181900 step time: 00:00:00.020299 Performance: 314.805 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:08:22,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181900 18190 39.322 -39562 4309.8 -43872 -43872 -0.22545 0.37249 0.11669 88948 2023-02-16 03:08:24,858 INFO [main.py:643]
{rank 0/100} MD step = 182000 step time: 00:00:00.020488 Performance: 314.811 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:08:25,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182000 18200 40.495 -39373 4438.3 -43811 -43811 -0.22562 0.3728 0.11723 88991 2023-02-16 03:08:27,542 INFO [main.py:643]
{rank 0/100} MD step = 182100 step time: 00:00:00.020489 Performance: 314.815 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:08:28,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182100 18210 39.742 -39516 4355.8 -43872 -43872 -0.22552 0.37219 0.11753 89069 2023-02-16 03:08:30,272 INFO [main.py:643]
{rank 0/100} MD step = 182200 step time: 00:00:00.020525 Performance: 314.816 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:08:30,967 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182200 18220 40.325 -39448 4419.6 -43868 -43868 -0.22682 0.37264 0.11725 89111 2023-02-16 03:08:33,094 INFO [main.py:643]
{rank 0/100} MD step = 182300 step time: 00:00:00.020481 Performance: 314.811 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:08:33,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182300 18230 40.525 -39429 4441.6 -43871 -43871 -0.22759 0.37153 0.11713 89173 2023-02-16 03:08:35,917 INFO [main.py:643]
{rank 0/100} MD step = 182400 step time: 00:00:00.020495 Performance: 314.806 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:08:36,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182400 18240 39.707 -39485 4351.9 -43837 -43837 -0.227 0.37094 0.11764 89216 2023-02-16 03:08:38,704 INFO [main.py:643]
{rank 0/100} MD step = 182500 step time: 00:00:00.020474 Performance: 314.803 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:08:39,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182500 18250 40.743 -39440 4465.4 -43906 -43906 -0.22756 0.37094 0.11877 89264 2023-02-16 03:08:41,403 INFO [main.py:643]
{rank 0/100} MD step = 182600 step time: 00:00:00.020567 Performance: 314.806 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:08:42,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182600 18260 39.959 -39422 4379.6 -43801 -43801 -0.22803 0.37051 0.11904 89308 2023-02-16 03:08:44,096 INFO [main.py:643]
{rank 0/100} MD step = 182700 step time: 00:00:00.020452 Performance: 314.809 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:08:44,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182700 18270 39.605 -39452 4340.8 -43793 -43793 -0.22875 0.37092 0.1186 89366 2023-02-16 03:08:46,789 INFO [main.py:643]
{rank 0/100} MD step = 182800 step time: 00:00:00.020318 Performance: 314.812 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:08:47,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182800 18280 40.536 -39424 4442.8 -43866 -43866 -0.23005 0.37141 0.11895 89416 2023-02-16 03:08:49,505 INFO [main.py:643]
{rank 0/100} MD step = 182900 step time: 00:00:00.020468 Performance: 314.814 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:08:50,031 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182900 18290 40.407 -39418 4428.7 -43846 -43846 -0.23034 0.37123 0.11844 89470 2023-02-16 03:08:52,150 INFO [main.py:643]
{rank 0/100} MD step = 183000 step time: 00:00:00.020524 Performance: 314.820 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:08:52,533 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183000 18300 39.582 -39543 4338.3 -43881 -43881 -0.23207 0.37094 0.1178 89527 2023-02-16 03:08:54,816 INFO [main.py:643]
{rank 0/100} MD step = 183100 step time: 00:00:00.020486 Performance: 314.825 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:08:55,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183100 18310 39.467 -39528 4325.6 -43853 -43853 -0.23266 0.37232 0.11749 89575 2023-02-16 03:08:57,505 INFO [main.py:643]
{rank 0/100} MD step = 183200 step time: 00:00:00.020530 Performance: 314.829 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:08:58,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183200 18320 40.238 -39489 4410.2 -43899 -43899 -0.23409 0.37236 0.11654 89619 2023-02-16 03:09:00,256 INFO [main.py:643]
{rank 0/100} MD step = 183300 step time: 00:00:00.020689 Performance: 314.828 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:09:00,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183300 18330 39.881 -39475 4371 -43846 -43846 -0.23389 0.37164 0.11646 89679 2023-02-16 03:09:02,896 INFO [main.py:643]
{rank 0/100} MD step = 183400 step time: 00:00:00.020442 Performance: 314.835 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:03,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183400 18340 39.733 -39457 4354.8 -43812 -43812 -0.23403 0.37162 0.11676 89725 2023-02-16 03:09:05,574 INFO [main.py:643]
{rank 0/100} MD step = 183500 step time: 00:00:00.020341 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:06,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183500 18350 40.14 -39448 4399.4 -43847 -43847 -0.23483 0.37187 0.11753 89763 2023-02-16 03:09:08,246 INFO [main.py:643]
{rank 0/100} MD step = 183600 step time: 00:00:00.021762 Performance: 314.844 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:09,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183600 18360 39.533 -39478 4332.8 -43811 -43811 -0.23432 0.37226 0.11808 89827 2023-02-16 03:09:11,200 INFO [main.py:643]
{rank 0/100} MD step = 183700 step time: 00:00:00.020366 Performance: 314.830 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:11,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183700 18370 40.141 -39433 4399.5 -43832 -43832 -0.23568 0.37261 0.11845 89868 2023-02-16 03:09:13,912 INFO [main.py:643]
{rank 0/100} MD step = 183800 step time: 00:00:00.020529 Performance: 314.833 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:14,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183800 18380 39.954 -39377 4379 -43756 -43756 -0.23524 0.37229 0.11918 89906 2023-02-16 03:09:16,617 INFO [main.py:643]
{rank 0/100} MD step = 183900 step time: 00:00:00.020506 Performance: 314.835 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:17,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183900 18390 39.453 -39491 4324.1 -43815 -43815 -0.23567 0.37198 0.11936 89952 2023-02-16 03:09:19,298 INFO [main.py:643]
{rank 0/100} MD step = 184000 step time: 00:00:00.022228 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:19,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184000 18400 40.39 -39353 4426.7 -43779 -43779 -0.23539 0.37234 0.11921 90009 2023-02-16 03:09:22,028 INFO [main.py:643]
{rank 0/100} MD step = 184100 step time: 00:00:00.020605 Performance: 314.840 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:22,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184100 18410 39.905 -39451 4373.6 -43825 -43825 -0.23535 0.37276 0.11949 90066 2023-02-16 03:09:24,782 INFO [main.py:643]
{rank 0/100} MD step = 184200 step time: 00:00:00.020422 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:25,618 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184200 18420 40.185 -39414 4404.3 -43818 -43818 -0.23538 0.37293 0.11975 90105 2023-02-16 03:09:27,666 INFO [main.py:643]
{rank 0/100} MD step = 184300 step time: 00:00:00.020439 Performance: 314.830 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:28,325 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184300 18430 40.171 -39429 4402.8 -43832 -43832 -0.23614 0.37332 0.11904 90162 2023-02-16 03:09:30,400 INFO [main.py:643]
{rank 0/100} MD step = 184400 step time: 00:00:00.020520 Performance: 314.831 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:31,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184400 18440 40.001 -39432 4384.1 -43817 -43817 -0.23615 0.37276 0.1189 90213 2023-02-16 03:09:33,122 INFO [main.py:643]
{rank 0/100} MD step = 184500 step time: 00:00:00.020461 Performance: 314.833 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:33,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184500 18450 40.357 -39444 4423.2 -43867 -43867 -0.23645 0.37313 0.1194 90260 2023-02-16 03:09:35,811 INFO [main.py:643]
{rank 0/100} MD step = 184600 step time: 00:00:00.020528 Performance: 314.836 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:36,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184600 18460 40.471 -39335 4435.6 -43771 -43771 -0.2376 0.3737 0.11938 90307 2023-02-16 03:09:38,507 INFO [main.py:643]
{rank 0/100} MD step = 184700 step time: 00:00:00.020445 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:38,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184700 18470 39.792 -39502 4361.2 -43863 -43863 -0.23799 0.37369 0.12052 90347 2023-02-16 03:09:41,159 INFO [main.py:643]
{rank 0/100} MD step = 184800 step time: 00:00:00.020471 Performance: 314.845 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:42,023 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184800 18480 39.897 -39481 4372.8 -43854 -43854 -0.23749 0.37345 0.12041 90400 2023-02-16 03:09:44,056 INFO [main.py:643]
{rank 0/100} MD step = 184900 step time: 00:00:00.020441 Performance: 314.835 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:09:44,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184900 18490 40.217 -39447 4407.8 -43854 -43854 -0.23828 0.373 0.12046 90466 2023-02-16 03:09:46,754 INFO [main.py:643]
{rank 0/100} MD step = 185000 step time: 00:00:00.020560 Performance: 314.838 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:47,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185000 18500 40.426 -39319 4430.7 -43750 -43750 -0.23908 0.37297 0.12027 90515 2023-02-16 03:09:49,493 INFO [main.py:643]
{rank 0/100} MD step = 185100 step time: 00:00:00.020314 Performance: 314.838 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:50,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185100 18510 39.822 -39471 4364.5 -43835 -43835 -0.2398 0.37352 0.12079 90555 2023-02-16 03:09:52,183 INFO [main.py:643]
{rank 0/100} MD step = 185200 step time: 00:00:00.020559 Performance: 314.842 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:52,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185200 18520 40.032 -39427 4387.6 -43814 -43814 -0.24043 0.37432 0.12123 90619 2023-02-16 03:09:54,862 INFO [main.py:643]
{rank 0/100} MD step = 185300 step time: 00:00:00.020438 Performance: 314.846 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:09:55,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185300 18530 40.31 -39381 4418 -43799 -43799 -0.24212 0.37379 0.12149 90675 2023-02-16 03:09:57,537 INFO [main.py:643]
{rank 0/100} MD step = 185400 step time: 00:00:00.020605 Performance: 314.850 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:09:58,228 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185400 18540 40.198 -39367 4405.7 -43773 -43773 -0.24089 0.37326 0.12188 90729 2023-02-16 03:10:00,267 INFO [main.py:643]
{rank 0/100} MD step = 185500 step time: 00:00:00.020565 Performance: 314.851 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:10:00,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185500 18550 40.343 -39420 4421.7 -43841 -43841 -0.24089 0.37285 0.12096 90758 2023-02-16 03:10:02,909 INFO [main.py:643]
{rank 0/100} MD step = 185600 step time: 00:00:00.020468 Performance: 314.857 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:10:03,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185600 18560 40.077 -39479 4392.5 -43871 -43871 -0.24081 0.3728 0.121 90786 2023-02-16 03:10:05,641 INFO [main.py:643]
{rank 0/100} MD step = 185700 step time: 00:00:00.020399 Performance: 314.858 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:10:06,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185700 18570 40.479 -39383 4436.5 -43819 -43819 -0.24171 0.37214 0.12089 90848 2023-02-16 03:10:08,410 INFO [main.py:643]
{rank 0/100} MD step = 185800 step time: 00:00:00.020557 Performance: 314.856 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:10:09,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185800 18580 39.79 -39469 4361.1 -43830 -43830 -0.24144 0.37236 0.12081 90899 2023-02-16 03:10:11,149 INFO [main.py:643]
{rank 0/100} MD step = 185900 step time: 00:00:00.020348 Performance: 314.857 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:10:11,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185900 18590 40.029 -39378 4387.2 -43765 -43765 -0.24114 0.37259 0.12098 90944 2023-02-16 03:10:13,818 INFO [main.py:643]
{rank 0/100} MD step = 186000 step time: 00:00:00.020383 Performance: 314.861 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:10:14,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186000 18600 40.55 -39400 4444.3 -43844 -43844 -0.24197 0.37251 0.12286 91001 2023-02-16 03:10:16,702 INFO [main.py:643]
{rank 0/100} MD step = 186100 step time: 00:00:00.020529 Performance: 314.853 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:10:17,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186100 18610 40.257 -39327 4412.2 -43739 -43739 -0.24466 0.37315 0.12275 91050 2023-02-16 03:10:19,470 INFO [main.py:643]
{rank 0/100} MD step = 186200 step time: 00:00:00.020430 Performance: 314.851 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:10:20,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186200 18620 40.001 -39487 4384.2 -43871 -43871 -0.24462 0.37431 0.12165 91082 2023-02-16 03:10:22,198 INFO [main.py:643]
{rank 0/100} MD step = 186300 step time: 00:00:00.020538 Performance: 314.852 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:10:22,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186300 18630 40.479 -39306 4436.5 -43742 -43742 -0.24405 0.375 0.1221 91139 2023-02-16 03:10:24,919 INFO [main.py:643]
{rank 0/100} MD step = 186400 step time: 00:00:00.020477 Performance: 314.854 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:10:25,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186400 18640 39.643 -39462 4344.9 -43807 -43807 -0.24507 0.37481 0.12208 91189 2023-02-16 03:10:27,600 INFO [main.py:643]
{rank 0/100} MD step = 186500 step time: 00:00:00.020406 Performance: 314.858 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:10:28,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186500 18650 39.934 -39466 4376.8 -43843 -43843 -0.24581 0.3744 0.12303 91262 2023-02-16 03:10:30,281 INFO [main.py:643]
{rank 0/100} MD step = 186600 step time: 00:00:00.020499 Performance: 314.862 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:10:30,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186600 18660 39.697 -39445 4350.9 -43796 -43796 -0.2456 0.37442 0.12214 91301 2023-02-16 03:10:32,914 INFO [main.py:643]
{rank 0/100} MD step = 186700 step time: 00:00:00.020311 Performance: 314.868 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:10:33,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186700 18670 40.56 -39403 4445.4 -43849 -43849 -0.24484 0.37558 0.12201 91346 2023-02-16 03:10:35,588 INFO [main.py:643]
{rank 0/100} MD step = 186800 step time: 00:00:00.020505 Performance: 314.873 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:10:36,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186800 18680 40.064 -39431 4391.1 -43822 -43822 -0.24474 0.37572 0.12183 91401 2023-02-16 03:10:38,339 INFO [main.py:643]
{rank 0/100} MD step = 186900 step time: 00:00:00.021793 Performance: 314.872 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:10:38,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186900 18690 40.103 -39477 4395.3 -43872 -43872 -0.24504 0.37582 0.12178 91449 2023-02-16 03:10:41,024 INFO [main.py:643]
{rank 0/100} MD step = 187000 step time: 00:00:00.020388 Performance: 314.876 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:10:41,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187000 18700 40.228 -39477 4409.1 -43887 -43887 -0.24546 0.37541 0.12121 91492 2023-02-16 03:10:43,716 INFO [main.py:643]
{rank 0/100} MD step = 187100 step time: 00:00:00.020471 Performance: 314.879 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:10:44,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187100 18710 39.896 -39343 4372.7 -43716 -43716 -0.24595 0.37585 0.12158 91548 2023-02-16 03:10:46,412 INFO [main.py:643]
{rank 0/100} MD step = 187200 step time: 00:00:00.020484 Performance: 314.882 ns/day 0.076 hours/ns 36.445 steps/s 2023-02-16 03:10:47,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187200 18720 39.85 -39481 4367.6 -43848 -43848 -0.24721 0.37633 0.12105 91593 2023-02-16 03:10:49,121 INFO [main.py:643]
{rank 0/100} MD step = 187300 step time: 00:00:00.020361 Performance: 314.884 ns/day 0.076 hours/ns 36.445 steps/s 2023-02-16 03:10:49,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187300 18730 39.843 -39468 4366.8 -43834 -43834 -0.24805 0.37667 0.12147 91637 2023-02-16 03:10:51,838 INFO [main.py:643]
{rank 0/100} MD step = 187400 step time: 00:00:00.020462 Performance: 314.886 ns/day 0.076 hours/ns 36.445 steps/s 2023-02-16 03:10:52,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187400 18740 39.836 -39432 4366 -43798 -43798 -0.24763 0.37701 0.12088 91702 2023-02-16 03:10:54,693 INFO [main.py:643]
{rank 0/100} MD step = 187500 step time: 00:00:00.020396 Performance: 314.879 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:10:55,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187500 18750 39.84 -39534 4366.5 -43901 -43901 -0.24878 0.37753 0.12133 91755 2023-02-16 03:10:57,418 INFO [main.py:643]
{rank 0/100} MD step = 187600 step time: 00:00:00.020409 Performance: 314.880 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:10:58,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187600 18760 39.635 -39442 4344 -43786 -43786 -0.2496 0.37743 0.12161 91801 2023-02-16 03:11:00,235 INFO [main.py:643]
{rank 0/100} MD step = 187700 step time: 00:00:00.020524 Performance: 314.876 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:11:00,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187700 18770 39.973 -39472 4381.1 -43853 -43853 -0.24902 0.37816 0.12185 91855 2023-02-16 03:11:02,993 INFO [main.py:643]
{rank 0/100} MD step = 187800 step time: 00:00:00.020761 Performance: 314.875 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:11:03,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187800 18780 40.274 -39442 4414.1 -43856 -43856 -0.24779 0.37888 0.12119 91897 2023-02-16 03:11:06,091 INFO [main.py:643]
{rank 0/100} MD step = 187900 step time: 00:00:00.020323 Performance: 314.853 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:11:06,549 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187900 18790 40.232 -39481 4409.5 -43891 -43891 -0.24845 0.37855 0.12126 91961 2023-02-16 03:11:08,779 INFO [main.py:643]
{rank 0/100} MD step = 188000 step time: 00:00:00.020655 Performance: 314.857 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:11:09,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188000 18800 40.134 -39446 4398.7 -43844 -43844 -0.24822 0.37887 0.12023 91996 2023-02-16 03:11:11,640 INFO [main.py:643]
{rank 0/100} MD step = 188100 step time: 00:00:00.059008 Performance: 314.849 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:11:12,170 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188100 18810 39.994 -39334 4383.4 -43717 -43717 -0.24854 0.37996 0.11947 92058 2023-02-16 03:11:14,233 INFO [main.py:643]
{rank 0/100} MD step = 188200 step time: 00:00:00.020410 Performance: 314.859 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:11:14,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188200 18820 39.645 -39480 4345.1 -43826 -43826 -0.24784 0.3801 0.12022 92105 2023-02-16 03:11:16,899 INFO [main.py:643]
{rank 0/100} MD step = 188300 step time: 00:00:00.020576 Performance: 314.863 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:17,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188300 18830 40.156 -39352 4401.2 -43753 -43753 -0.24839 0.38008 0.1204 92157 2023-02-16 03:11:19,559 INFO [main.py:643]
{rank 0/100} MD step = 188400 step time: 00:00:00.020271 Performance: 314.869 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:20,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188400 18840 40.44 -39316 4432.3 -43748 -43748 -0.24984 0.38033 0.12124 92211 2023-02-16 03:11:22,286 INFO [main.py:643]
{rank 0/100} MD step = 188500 step time: 00:00:00.020578 Performance: 314.870 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:22,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188500 18850 40.133 -39421 4398.6 -43820 -43820 -0.25092 0.38004 0.12094 92257 2023-02-16 03:11:25,021 INFO [main.py:643]
{rank 0/100} MD step = 188600 step time: 00:00:00.020497 Performance: 314.870 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:25,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188600 18860 39.123 -39544 4287.9 -43831 -43831 -0.25222 0.38038 0.12046 92312 2023-02-16 03:11:27,787 INFO [main.py:643]
{rank 0/100} MD step = 188700 step time: 00:00:00.020685 Performance: 314.869 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:28,318 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188700 18870 40.174 -39437 4403.2 -43840 -43840 -0.2519 0.37983 0.12004 92366 2023-02-16 03:11:30,507 INFO [main.py:643]
{rank 0/100} MD step = 188800 step time: 00:00:00.020453 Performance: 314.870 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:31,232 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188800 18880 40.038 -39444 4388.2 -43832 -43832 -0.25153 0.37948 0.12004 92420 2023-02-16 03:11:33,257 INFO [main.py:643]
{rank 0/100} MD step = 188900 step time: 00:00:00.020393 Performance: 314.870 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:33,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188900 18890 40.392 -39436 4427.1 -43863 -43863 -0.25146 0.38006 0.12111 92463 2023-02-16 03:11:35,973 INFO [main.py:643]
{rank 0/100} MD step = 189000 step time: 00:00:00.020426 Performance: 314.872 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:36,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189000 18900 39.916 -39524 4374.8 -43899 -43899 -0.2517 0.38058 0.12088 92500 2023-02-16 03:11:38,744 INFO [main.py:643]
{rank 0/100} MD step = 189100 step time: 00:00:00.020431 Performance: 314.870 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:39,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189100 18910 40.055 -39497 4390 -43887 -43887 -0.25021 0.38041 0.12087 92543 2023-02-16 03:11:41,490 INFO [main.py:643]
{rank 0/100} MD step = 189200 step time: 00:00:00.020500 Performance: 314.870 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:11:42,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189200 18920 39.942 -39450 4377.7 -43827 -43827 -0.2527 0.38013 0.11948 92594 2023-02-16 03:11:44,184 INFO [main.py:643]
{rank 0/100} MD step = 189300 step time: 00:00:00.020399 Performance: 314.873 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:11:44,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189300 18930 39.823 -39516 4364.7 -43881 -43881 -0.25346 0.38154 0.11935 92648 2023-02-16 03:11:46,940 INFO [main.py:643]
{rank 0/100} MD step = 189400 step time: 00:00:00.020589 Performance: 314.872 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:11:47,555 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189400 18940 39.319 -39481 4309.4 -43790 -43790 -0.25409 0.38135 0.1198 92711 2023-02-16 03:11:49,650 INFO [main.py:643]
{rank 0/100} MD step = 189500 step time: 00:00:00.020521 Performance: 314.874 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:11:50,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189500 18950 40.269 -39469 4413.6 -43883 -43883 -0.2552 0.38155 0.11939 92754 2023-02-16 03:11:52,347 INFO [main.py:643]
{rank 0/100} MD step = 189600 step time: 00:00:00.020322 Performance: 314.877 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:11:52,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189600 18960 40.429 -39351 4431.1 -43782 -43782 -0.25597 0.38215 0.11889 92798 2023-02-16 03:11:55,022 INFO [main.py:643]
{rank 0/100} MD step = 189700 step time: 00:00:00.020389 Performance: 314.881 ns/day 0.076 hours/ns 36.445 steps/s 2023-02-16 03:11:55,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189700 18970 39.744 -39430 4356 -43786 -43786 -0.25542 0.38248 0.11902 92836 2023-02-16 03:11:57,690 INFO [main.py:643]
{rank 0/100} MD step = 189800 step time: 00:00:00.020557 Performance: 314.886 ns/day 0.076 hours/ns 36.445 steps/s 2023-02-16 03:11:58,252 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189800 18980 39.33 -39593 4310.6 -43903 -43903 -0.25626 0.38233 0.11926 92874 2023-02-16 03:12:00,361 INFO [main.py:643]
{rank 0/100} MD step = 189900 step time: 00:00:00.020373 Performance: 314.890 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:12:00,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189900 18990 40.436 -39350 4431.9 -43782 -43782 -0.25499 0.3818 0.11915 92938 2023-02-16 03:12:03,102 INFO [main.py:643]
{rank 0/100} MD step = 190000 step time: 00:00:00.020447 Performance: 314.890 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:12:03,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190000 19000 40.519 -39399 4440.9 -43840 -43840 -0.25552 0.38318 0.11881 92979 2023-02-16 03:12:05,817 INFO [main.py:643]
{rank 0/100} MD step = 190100 step time: 00:00:00.020398 Performance: 314.892 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:12:06,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190100 19010 40.286 -39433 4415.4 -43849 -43849 -0.256 0.38375 0.11834 93023 2023-02-16 03:12:08,485 INFO [main.py:643]
{rank 0/100} MD step = 190200 step time: 00:00:00.020525 Performance: 314.897 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:12:09,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190200 19020 40.403 -39389 4428.2 -43817 -43817 -0.25655 0.38476 0.11732 93091 2023-02-16 03:12:11,142 INFO [main.py:643]
{rank 0/100} MD step = 190300 step time: 00:00:00.020439 Performance: 314.902 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:12:11,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190300 19030 39.978 -39410 4381.6 -43791 -43791 -0.25571 0.38404 0.11818 93128 2023-02-16 03:12:13,915 INFO [main.py:643]
{rank 0/100} MD step = 190400 step time: 00:00:00.020583 Performance: 314.900 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:12:14,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190400 19040 40.106 -39392 4395.7 -43788 -43788 -0.25534 0.38472 0.11732 93185 2023-02-16 03:12:16,692 INFO [main.py:643]
{rank 0/100} MD step = 190500 step time: 00:00:00.020585 Performance: 314.898 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:12:17,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190500 19050 39.546 -39491 4334.3 -43825 -43825 -0.25584 0.38544 0.11738 93214 2023-02-16 03:12:19,385 INFO [main.py:643]
{rank 0/100} MD step = 190600 step time: 00:00:00.020286 Performance: 314.901 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:12:20,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190600 19060 39.945 -39489 4378 -43867 -43867 -0.25744 0.38585 0.11785 93271 2023-02-16 03:12:22,080 INFO [main.py:643]
{rank 0/100} MD step = 190700 step time: 00:00:00.020419 Performance: 314.904 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:12:22,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190700 19070 39.938 -39479 4377.2 -43856 -43856 -0.25746 0.38684 0.11938 93317 2023-02-16 03:12:24,751 INFO [main.py:643]
{rank 0/100} MD step = 190800 step time: 00:00:00.020580 Performance: 314.908 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:12:25,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190800 19080 40.123 -39424 4397.5 -43822 -43822 -0.25739 0.38673 0.12058 93358 2023-02-16 03:12:27,525 INFO [main.py:643]
{rank 0/100} MD step = 190900 step time: 00:00:00.020400 Performance: 314.907 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:12:28,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190900 19090 39.717 -39487 4353 -43840 -43840 -0.25916 0.3872 0.12091 93403 2023-02-16 03:12:30,218 INFO [main.py:643]
{rank 0/100} MD step = 191000 step time: 00:00:00.020516 Performance: 314.910 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:12:30,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191000 19100 40.062 -39521 4390.9 -43912 -43912 -0.25986 0.38638 0.12231 93452 2023-02-16 03:12:32,921 INFO [main.py:643]
{rank 0/100} MD step = 191100 step time: 00:00:00.020524 Performance: 314.912 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:12:33,606 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191100 19110 39.816 -39503 4363.9 -43867 -43867 -0.25821 0.3868 0.12142 93495 2023-02-16 03:12:35,640 INFO [main.py:643]
{rank 0/100} MD step = 191200 step time: 00:00:00.020502 Performance: 314.914 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:12:36,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191200 19120 39.566 -39556 4336.5 -43892 -43892 -0.25815 0.38717 0.12185 93558 2023-02-16 03:12:38,354 INFO [main.py:643]
{rank 0/100} MD step = 191300 step time: 00:00:00.021716 Performance: 314.915 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:12:39,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191300 19130 39.912 -39479 4374.4 -43854 -43854 -0.25969 0.38841 0.12094 93607 2023-02-16 03:12:41,064 INFO [main.py:643]
{rank 0/100} MD step = 191400 step time: 00:00:00.020412 Performance: 314.917 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:12:41,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191400 19140 39.386 -39587 4316.8 -43904 -43904 -0.26128 0.38795 0.12159 93651 2023-02-16 03:12:43,762 INFO [main.py:643]
{rank 0/100} MD step = 191500 step time: 00:00:00.020534 Performance: 314.920 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:12:44,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191500 19150 40.073 -39435 4392.1 -43827 -43827 -0.26222 0.38858 0.12184 93709 2023-02-16 03:12:46,424 INFO [main.py:643]
{rank 0/100} MD step = 191600 step time: 00:00:00.020410 Performance: 314.925 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:12:47,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191600 19160 39.901 -39481 4373.2 -43854 -43854 -0.26327 0.38905 0.12217 93758 2023-02-16 03:12:49,207 INFO [main.py:643]
{rank 0/100} MD step = 191700 step time: 00:00:00.020431 Performance: 314.923 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:12:49,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191700 19170 39.804 -39374 4362.5 -43737 -43737 -0.26527 0.38918 0.12305 93815 2023-02-16 03:12:51,845 INFO [main.py:643]
{rank 0/100} MD step = 191800 step time: 00:00:00.020501 Performance: 314.929 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:12:52,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191800 19180 39.581 -39453 4338.2 -43791 -43791 -0.26576 0.38938 0.12412 93865 2023-02-16 03:12:54,576 INFO [main.py:643]
{rank 0/100} MD step = 191900 step time: 00:00:00.020538 Performance: 314.930 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:12:55,259 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191900 19190 40.009 -39483 4385 -43868 -43868 -0.2652 0.38878 0.1237 93917 2023-02-16 03:12:57,288 INFO [main.py:643]
{rank 0/100} MD step = 192000 step time: 00:00:00.020606 Performance: 314.932 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:12:57,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192000 19200 40.082 -39472 4393 -43865 -43865 -0.26485 0.38888 0.1233 93962 2023-02-16 03:12:59,994 INFO [main.py:643]
{rank 0/100} MD step = 192100 step time: 00:00:00.020424 Performance: 314.934 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:13:00,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192100 19210 39.598 -39530 4340 -43870 -43870 -0.26381 0.38928 0.12345 94020 2023-02-16 03:13:02,739 INFO [main.py:643]
{rank 0/100} MD step = 192200 step time: 00:00:00.020375 Performance: 314.934 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:13:03,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192200 19220 40.424 -39339 4430.6 -43769 -43769 -0.26477 0.38912 0.12367 94069 2023-02-16 03:13:05,401 INFO [main.py:643]
{rank 0/100} MD step = 192300 step time: 00:00:00.020431 Performance: 314.939 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:13:05,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192300 19230 39.902 -39444 4373.3 -43817 -43817 -0.26474 0.38899 0.12408 94115 2023-02-16 03:13:08,187 INFO [main.py:643]
{rank 0/100} MD step = 192400 step time: 00:00:00.021689 Performance: 314.936 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:13:08,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192400 19240 40.148 -39411 4400.2 -43812 -43812 -0.26584 0.38903 0.12422 94168 2023-02-16 03:13:10,923 INFO [main.py:643]
{rank 0/100} MD step = 192500 step time: 00:00:00.020434 Performance: 314.937 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:13:11,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192500 19250 40.066 -39487 4391.3 -43878 -43878 -0.26731 0.38951 0.1242 94220 2023-02-16 03:13:13,554 INFO [main.py:643]
{rank 0/100} MD step = 192600 step time: 00:00:00.020417 Performance: 314.943 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:13:14,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192600 19260 39.971 -39498 4380.9 -43879 -43879 -0.26842 0.38989 0.12382 94277 2023-02-16 03:13:16,260 INFO [main.py:643]
{rank 0/100} MD step = 192700 step time: 00:00:00.020548 Performance: 314.945 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:13:17,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192700 19270 39.34 -39545 4311.7 -43857 -43857 -0.26921 0.39029 0.12399 94315 2023-02-16 03:13:19,056 INFO [main.py:643]
{rank 0/100} MD step = 192800 step time: 00:00:00.020595 Performance: 314.942 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:13:19,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192800 19280 39.991 -39475 4383.1 -43858 -43858 -0.26832 0.39067 0.12374 94357 2023-02-16 03:13:21,729 INFO [main.py:643]
{rank 0/100} MD step = 192900 step time: 00:00:00.020589 Performance: 314.947 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:13:22,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192900 19290 40.144 -39372 4399.8 -43772 -43772 -0.26813 0.39116 0.12443 94416 2023-02-16 03:13:24,398 INFO [main.py:643]
{rank 0/100} MD step = 193000 step time: 00:00:00.020590 Performance: 314.951 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:13:25,102 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193000 19300 40.01 -39512 4385.1 -43897 -43897 -0.26805 0.3921 0.12542 94449 2023-02-16 03:13:27,130 INFO [main.py:643]
{rank 0/100} MD step = 193100 step time: 00:00:00.020488 Performance: 314.952 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:13:27,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193100 19310 40.064 -39431 4391.1 -43822 -43822 -0.26818 0.39316 0.12481 94517 2023-02-16 03:13:29,832 INFO [main.py:643]
{rank 0/100} MD step = 193200 step time: 00:00:00.020431 Performance: 314.954 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:13:30,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193200 19320 40.44 -39464 4432.2 -43896 -43896 -0.26834 0.39364 0.12493 94555 2023-02-16 03:13:32,519 INFO [main.py:643]
{rank 0/100} MD step = 193300 step time: 00:00:00.020585 Performance: 314.957 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:13:33,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193300 19330 39.816 -39459 4363.9 -43823 -43823 -0.26851 0.39426 0.12513 94610 2023-02-16 03:13:35,153 INFO [main.py:643]
{rank 0/100} MD step = 193400 step time: 00:00:00.020504 Performance: 314.964 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:13:35,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193400 19340 40.086 -39488 4393.5 -43881 -43881 -0.26819 0.395 0.12552 94650 2023-02-16 03:13:37,811 INFO [main.py:643]
{rank 0/100} MD step = 193500 step time: 00:00:00.020559 Performance: 314.969 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:13:38,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193500 19350 39.972 -39465 4381 -43846 -43846 -0.26786 0.39519 0.12551 94712 2023-02-16 03:13:40,461 INFO [main.py:643]
{rank 0/100} MD step = 193600 step time: 00:00:00.020479 Performance: 314.974 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:13:41,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193600 19360 39.849 -39439 4367.4 -43806 -43806 -0.26607 0.39572 0.12594 94760 2023-02-16 03:13:43,435 INFO [main.py:643]
{rank 0/100} MD step = 193700 step time: 00:00:00.020579 Performance: 314.961 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:13:44,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193700 19370 39.694 -39539 4350.5 -43889 -43889 -0.26644 0.39606 0.12581 94798 2023-02-16 03:13:46,149 INFO [main.py:643]
{rank 0/100} MD step = 193800 step time: 00:00:00.020455 Performance: 314.962 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:13:46,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193800 19380 40.732 -39365 4464.3 -43830 -43830 -0.26542 0.39658 0.1258 94860 2023-02-16 03:13:48,820 INFO [main.py:643]
{rank 0/100} MD step = 193900 step time: 00:00:00.020548 Performance: 314.967 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:13:49,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193900 19390 40.086 -39422 4393.5 -43816 -43816 -0.26482 0.39638 0.12568 94907 2023-02-16 03:13:51,536 INFO [main.py:643]
{rank 0/100} MD step = 194000 step time: 00:00:00.020440 Performance: 314.968 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:13:52,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194000 19400 40.181 -39475 4403.9 -43879 -43879 -0.26382 0.39621 0.12433 94946 2023-02-16 03:13:54,197 INFO [main.py:643]
{rank 0/100} MD step = 194100 step time: 00:00:00.020646 Performance: 314.973 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:13:54,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194100 19410 39.43 -39488 4321.6 -43810 -43810 -0.26358 0.39629 0.1251 95002 2023-02-16 03:13:56,856 INFO [main.py:643]
{rank 0/100} MD step = 194200 step time: 00:00:00.020426 Performance: 314.978 ns/day 0.076 hours/ns 36.456 steps/s 2023-02-16 03:13:57,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194200 19420 40.014 -39445 4385.6 -43831 -43831 -0.2643 0.39656 0.12625 95044 2023-02-16 03:13:59,517 INFO [main.py:643]
{rank 0/100} MD step = 194300 step time: 00:00:00.020467 Performance: 314.983 ns/day 0.076 hours/ns 36.456 steps/s 2023-02-16 03:14:00,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194300 19430 40.127 -39445 4397.9 -43843 -43843 -0.26356 0.39654 0.12657 95108 2023-02-16 03:14:02,285 INFO [main.py:643]
{rank 0/100} MD step = 194400 step time: 00:00:00.020497 Performance: 314.982 ns/day 0.076 hours/ns 36.456 steps/s 2023-02-16 03:14:02,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194400 19440 40.076 -39425 4392.3 -43817 -43817 -0.26344 0.39706 0.12635 95160 2023-02-16 03:14:05,004 INFO [main.py:643]
{rank 0/100} MD step = 194500 step time: 00:00:00.020442 Performance: 314.983 ns/day 0.076 hours/ns 36.456 steps/s 2023-02-16 03:14:05,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194500 19450 39.267 -39537 4303.8 -43841 -43841 -0.26441 0.39724 0.12679 95199 2023-02-16 03:14:07,829 INFO [main.py:643]
{rank 0/100} MD step = 194600 step time: 00:00:00.020482 Performance: 314.978 ns/day 0.076 hours/ns 36.456 steps/s 2023-02-16 03:14:08,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194600 19460 39.802 -39463 4362.3 -43825 -43825 -0.26538 0.3979 0.12702 95264 2023-02-16 03:14:10,528 INFO [main.py:643]
{rank 0/100} MD step = 194700 step time: 00:00:00.020541 Performance: 314.981 ns/day 0.076 hours/ns 36.456 steps/s 2023-02-16 03:14:10,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194700 19470 40.395 -39406 4427.3 -43834 -43834 -0.2648 0.3992 0.12702 95304 2023-02-16 03:14:13,224 INFO [main.py:643]
{rank 0/100} MD step = 194800 step time: 00:00:00.020556 Performance: 314.984 ns/day 0.076 hours/ns 36.456 steps/s 2023-02-16 03:14:13,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194800 19480 40.256 -39376 4412.1 -43788 -43788 -0.26438 0.39908 0.12688 95359 2023-02-16 03:14:15,908 INFO [main.py:643]
{rank 0/100} MD step = 194900 step time: 00:00:00.020617 Performance: 314.987 ns/day 0.076 hours/ns 36.457 steps/s 2023-02-16 03:14:16,945 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194900 19490 39.802 -39469 4362.4 -43831 -43831 -0.2629 0.39837 0.12671 95399 2023-02-16 03:14:18,992 INFO [main.py:643]
{rank 0/100} MD step = 195000 step time: 00:00:00.020413 Performance: 314.967 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:14:19,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195000 19500 40.261 -39429 4412.7 -43842 -43842 -0.2634 0.39897 0.12692 95437 2023-02-16 03:14:21,859 INFO [main.py:643]
{rank 0/100} MD step = 195100 step time: 00:00:00.020433 Performance: 314.960 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:14:22,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195100 19510 39.987 -39500 4382.6 -43883 -43883 -0.26438 0.39969 0.12766 95481 2023-02-16 03:14:24,717 INFO [main.py:643]
{rank 0/100} MD step = 195200 step time: 00:00:00.020417 Performance: 314.953 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:14:25,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195200 19520 39.494 -39492 4328.6 -43820 -43820 -0.26463 0.39966 0.12836 95547 2023-02-16 03:14:27,621 INFO [main.py:643]
{rank 0/100} MD step = 195300 step time: 00:00:00.020563 Performance: 314.943 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:14:28,266 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195300 19530 40.269 -39433 4413.5 -43847 -43847 -0.2649 0.39945 0.12876 95592 2023-02-16 03:14:30,303 INFO [main.py:643]
{rank 0/100} MD step = 195400 step time: 00:00:00.020462 Performance: 314.947 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:14:30,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195400 19540 39.866 -39468 4369.4 -43837 -43837 -0.26544 0.39978 0.12817 95633 2023-02-16 03:14:33,066 INFO [main.py:643]
{rank 0/100} MD step = 195500 step time: 00:00:00.021476 Performance: 314.946 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:14:33,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195500 19550 40.044 -39395 4388.8 -43784 -43784 -0.26582 0.39962 0.12776 95694 2023-02-16 03:14:35,725 INFO [main.py:643]
{rank 0/100} MD step = 195600 step time: 00:00:00.020454 Performance: 314.951 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:14:36,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195600 19560 40.137 -39495 4399.1 -43894 -43894 -0.26683 0.39971 0.12762 95732 2023-02-16 03:14:38,489 INFO [main.py:643]
{rank 0/100} MD step = 195700 step time: 00:00:00.020516 Performance: 314.950 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:14:39,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195700 19570 40.157 -39473 4401.2 -43874 -43874 -0.26689 0.40071 0.12709 95782 2023-02-16 03:14:41,129 INFO [main.py:643]
{rank 0/100} MD step = 195800 step time: 00:00:00.020465 Performance: 314.956 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:14:41,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195800 19580 40.042 -39371 4388.7 -43760 -43760 -0.26672 0.40062 0.12625 95826 2023-02-16 03:14:43,821 INFO [main.py:643]
{rank 0/100} MD step = 195900 step time: 00:00:00.020527 Performance: 314.959 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:14:44,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195900 19590 40.013 -39486 4385.5 -43872 -43872 -0.26739 0.40077 0.12444 95878 2023-02-16 03:14:46,469 INFO [main.py:643]
{rank 0/100} MD step = 196000 step time: 00:00:00.020595 Performance: 314.964 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:14:47,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196000 19600 40.444 -39396 4432.7 -43829 -43829 -0.26645 0.40235 0.12491 95937 2023-02-16 03:14:49,183 INFO [main.py:643]
{rank 0/100} MD step = 196100 step time: 00:00:00.020604 Performance: 314.966 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:14:49,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196100 19610 40.826 -39307 4474.6 -43782 -43782 -0.26519 0.40199 0.12554 95984 2023-02-16 03:14:51,951 INFO [main.py:643]
{rank 0/100} MD step = 196200 step time: 00:00:00.020513 Performance: 314.964 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:14:52,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196200 19620 39.803 -39401 4362.4 -43764 -43764 -0.26451 0.40251 0.12398 96052 2023-02-16 03:14:54,690 INFO [main.py:643]
{rank 0/100} MD step = 196300 step time: 00:00:00.020410 Performance: 314.965 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:14:55,353 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196300 19630 40.249 -39451 4411.3 -43862 -43862 -0.26476 0.40289 0.12382 96095 2023-02-16 03:14:57,400 INFO [main.py:643]
{rank 0/100} MD step = 196400 step time: 00:00:00.020502 Performance: 314.967 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:14:58,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196400 19640 40.044 -39395 4388.9 -43784 -43784 -0.26546 0.40259 0.12359 96144 2023-02-16 03:15:00,075 INFO [main.py:643]
{rank 0/100} MD step = 196500 step time: 00:00:00.020432 Performance: 314.971 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:15:00,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196500 19650 39.405 -39481 4318.9 -43800 -43800 -0.26621 0.40317 0.12363 96182 2023-02-16 03:15:02,758 INFO [main.py:643]
{rank 0/100} MD step = 196600 step time: 00:00:00.020462 Performance: 314.974 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:15:03,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196600 19660 40.202 -39380 4406.1 -43786 -43786 -0.26781 0.40395 0.12305 96225 2023-02-16 03:15:05,409 INFO [main.py:643]
{rank 0/100} MD step = 196700 step time: 00:00:00.020522 Performance: 314.980 ns/day 0.076 hours/ns 36.456 steps/s 2023-02-16 03:15:05,986 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196700 19670 39.632 -39558 4343.7 -43901 -43901 -0.26725 0.4053 0.12309 96263 2023-02-16 03:15:08,058 INFO [main.py:643]
{rank 0/100} MD step = 196800 step time: 00:00:00.020378 Performance: 314.985 ns/day 0.076 hours/ns 36.457 steps/s 2023-02-16 03:15:08,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196800 19680 39.853 -39556 4368 -43924 -43924 -0.26766 0.40534 0.12345 96320 2023-02-16 03:15:10,731 INFO [main.py:643]
{rank 0/100} MD step = 196900 step time: 00:00:00.020666 Performance: 314.989 ns/day 0.076 hours/ns 36.457 steps/s 2023-02-16 03:15:11,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196900 19690 39.812 -39477 4363.4 -43840 -43840 -0.26722 0.40616 0.12281 96385 2023-02-16 03:15:13,485 INFO [main.py:643]
{rank 0/100} MD step = 197000 step time: 00:00:00.020419 Performance: 314.988 ns/day 0.076 hours/ns 36.457 steps/s 2023-02-16 03:15:14,082 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197000 19700 40.265 -39453 4413.1 -43866 -43866 -0.26706 0.40576 0.1234 96437 2023-02-16 03:15:16,182 INFO [main.py:643]
{rank 0/100} MD step = 197100 step time: 00:00:00.020486 Performance: 314.991 ns/day 0.076 hours/ns 36.457 steps/s 2023-02-16 03:15:16,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197100 19710 39.899 -39445 4373 -43818 -43818 -0.26897 0.40612 0.12283 96479 2023-02-16 03:15:18,870 INFO [main.py:643]
{rank 0/100} MD step = 197200 step time: 00:00:00.020528 Performance: 314.994 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:15:19,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197200 19720 39.716 -39465 4352.9 -43818 -43818 -0.26893 0.40528 0.12257 96538 2023-02-16 03:15:21,586 INFO [main.py:643]
{rank 0/100} MD step = 197300 step time: 00:00:00.020680 Performance: 314.996 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:15:22,155 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197300 19730 39.669 -39473 4347.8 -43821 -43821 -0.2679 0.40555 0.12239 96575 2023-02-16 03:15:24,192 INFO [main.py:643]
{rank 0/100} MD step = 197400 step time: 00:00:00.020337 Performance: 315.004 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:15:24,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197400 19740 39.721 -39414 4353.5 -43767 -43767 -0.26864 0.4053 0.12194 96624 2023-02-16 03:15:26,828 INFO [main.py:643]
{rank 0/100} MD step = 197500 step time: 00:00:00.020299 Performance: 315.010 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:15:27,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197500 19750 40.339 -39457 4421.2 -43878 -43878 -0.26829 0.40504 0.12251 96668 2023-02-16 03:15:29,524 INFO [main.py:643]
{rank 0/100} MD step = 197600 step time: 00:00:00.020430 Performance: 315.013 ns/day 0.076 hours/ns 36.460 steps/s 2023-02-16 03:15:30,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197600 19760 40.226 -39364 4408.8 -43773 -43773 -0.26806 0.40599 0.12233 96711 2023-02-16 03:15:32,228 INFO [main.py:643]
{rank 0/100} MD step = 197700 step time: 00:00:00.020564 Performance: 315.015 ns/day 0.076 hours/ns 36.460 steps/s 2023-02-16 03:15:32,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197700 19770 39.873 -39570 4370.2 -43940 -43940 -0.26862 0.406 0.12323 96757 2023-02-16 03:15:34,876 INFO [main.py:643]
{rank 0/100} MD step = 197800 step time: 00:00:00.020481 Performance: 315.021 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:15:35,441 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197800 19780 39.761 -39436 4357.8 -43794 -43794 -0.26826 0.40603 0.12178 96807 2023-02-16 03:15:37,584 INFO [main.py:643]
{rank 0/100} MD step = 197900 step time: 00:00:00.020533 Performance: 315.023 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:15:38,216 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197900 19790 40.211 -39397 4407.2 -43804 -43804 -0.26853 0.40615 0.12134 96849 2023-02-16 03:15:40,375 INFO [main.py:643]
{rank 0/100} MD step = 198000 step time: 00:00:00.020408 Performance: 315.020 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:15:41,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198000 19800 39.862 -39503 4369 -43872 -43872 -0.26766 0.40599 0.12165 96891 2023-02-16 03:15:43,220 INFO [main.py:643]
{rank 0/100} MD step = 198100 step time: 00:00:00.020664 Performance: 315.014 ns/day 0.076 hours/ns 36.460 steps/s 2023-02-16 03:15:43,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198100 19810 40.296 -39408 4416.5 -43825 -43825 -0.26778 0.40621 0.12153 96937 2023-02-16 03:15:45,821 INFO [main.py:643]
{rank 0/100} MD step = 198200 step time: 00:00:00.020294 Performance: 315.022 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:15:46,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198200 19820 39.836 -39511 4366.1 -43877 -43877 -0.26861 0.4064 0.12157 96978 2023-02-16 03:15:48,538 INFO [main.py:643]
{rank 0/100} MD step = 198300 step time: 00:00:00.021375 Performance: 315.024 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:15:49,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198300 19830 39.499 -39480 4329.1 -43809 -43809 -0.26921 0.40604 0.12187 97040 2023-02-16 03:15:51,244 INFO [main.py:643]
{rank 0/100} MD step = 198400 step time: 00:00:00.020374 Performance: 315.026 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:15:51,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198400 19840 39.806 -39408 4362.7 -43770 -43770 -0.26994 0.40617 0.12325 97085 2023-02-16 03:15:53,897 INFO [main.py:643]
{rank 0/100} MD step = 198500 step time: 00:00:00.020519 Performance: 315.031 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:15:54,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198500 19850 40.308 -39484 4417.9 -43901 -43901 -0.26988 0.40665 0.12406 97148 2023-02-16 03:15:56,596 INFO [main.py:643]
{rank 0/100} MD step = 198600 step time: 00:00:00.020487 Performance: 315.033 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:15:57,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198600 19860 39.949 -39454 4378.5 -43833 -43833 -0.27104 0.40711 0.12393 97206 2023-02-16 03:15:59,311 INFO [main.py:643]
{rank 0/100} MD step = 198700 step time: 00:00:00.020598 Performance: 315.035 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:15:59,876 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198700 19870 40.778 -39395 4469.3 -43864 -43864 -0.27219 0.40764 0.12317 97239 2023-02-16 03:16:02,010 INFO [main.py:643]
{rank 0/100} MD step = 198800 step time: 00:00:00.020380 Performance: 315.037 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:16:02,631 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198800 19880 39.698 -39476 4351 -43827 -43827 -0.2719 0.40724 0.12391 97294 2023-02-16 03:16:04,724 INFO [main.py:643]
{rank 0/100} MD step = 198900 step time: 00:00:00.020472 Performance: 315.039 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:16:06,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198900 19890 40.142 -39468 4399.6 -43867 -43867 -0.27251 0.40713 0.12434 97338 2023-02-16 03:16:08,213 INFO [main.py:643]
{rank 0/100} MD step = 199000 step time: 00:00:00.021774 Performance: 314.996 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:08,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199000 19900 39.852 -39521 4367.8 -43889 -43889 -0.27152 0.40747 0.12418 97384 2023-02-16 03:16:10,875 INFO [main.py:643]
{rank 0/100} MD step = 199100 step time: 00:00:00.020432 Performance: 315.001 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:11,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199100 19910 39.962 -39425 4379.9 -43805 -43805 -0.27049 0.40861 0.12431 97422 2023-02-16 03:16:13,684 INFO [main.py:643]
{rank 0/100} MD step = 199200 step time: 00:00:00.020570 Performance: 314.997 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:14,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199200 19920 40.303 -39422 4417.3 -43839 -43839 -0.27144 0.40839 0.12477 97504 2023-02-16 03:16:16,458 INFO [main.py:643]
{rank 0/100} MD step = 199300 step time: 00:00:00.020428 Performance: 314.995 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:16,951 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199300 19930 40.111 -39436 4396.3 -43832 -43832 -0.27105 0.40825 0.12589 97537 2023-02-16 03:16:19,111 INFO [main.py:643]
{rank 0/100} MD step = 199400 step time: 00:00:00.020517 Performance: 315.000 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:19,735 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199400 19940 39.996 -39373 4383.6 -43757 -43757 -0.27118 0.4087 0.12528 97587 2023-02-16 03:16:21,804 INFO [main.py:643]
{rank 0/100} MD step = 199500 step time: 00:00:00.020408 Performance: 315.003 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:16:22,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199500 19950 39.546 -39490 4334.3 -43824 -43824 -0.27057 0.40825 0.12618 97629 2023-02-16 03:16:24,617 INFO [main.py:643]
{rank 0/100} MD step = 199600 step time: 00:00:00.020437 Performance: 314.999 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:25,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199600 19960 40.354 -39342 4422.8 -43765 -43765 -0.27133 0.40847 0.12597 97688 2023-02-16 03:16:27,271 INFO [main.py:643]
{rank 0/100} MD step = 199700 step time: 00:00:00.020549 Performance: 315.004 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:16:27,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199700 19970 40.532 -39424 4442.4 -43866 -43866 -0.27284 0.40932 0.1269 97732 2023-02-16 03:16:30,018 INFO [main.py:643]
{rank 0/100} MD step = 199800 step time: 00:00:00.021046 Performance: 315.004 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:16:30,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199800 19980 40.603 -39404 4450.2 -43854 -43854 -0.27395 0.40894 0.12805 97761 2023-02-16 03:16:32,747 INFO [main.py:643]
{rank 0/100} MD step = 199900 step time: 00:00:00.020467 Performance: 315.005 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:16:33,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199900 19990 39.49 -39619 4328.2 -43948 -43948 -0.27371 0.40875 0.12831 97819 2023-02-16 03:16:35,435 INFO [main.py:643]
{rank 0/100} MD step = 200000 step time: 00:00:00.020448 Performance: 315.008 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:16:36,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200000 20000 40.185 -39413 4404.3 -43818 -43818 -0.27342 0.40869 0.1286 97876 2023-02-16 03:16:38,395 INFO [main.py:643]
{rank 0/100} MD step = 200100 step time: 00:00:00.021627 Performance: 314.995 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:39,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200100 20010 39.86 -39460 4368.7 -43828 -43828 -0.27316 0.40871 0.12859 97928 2023-02-16 03:16:41,101 INFO [main.py:643]
{rank 0/100} MD step = 200200 step time: 00:00:00.020467 Performance: 314.998 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:41,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200200 20020 40.271 -39410 4413.7 -43823 -43823 -0.27534 0.40797 0.12953 97960 2023-02-16 03:16:43,809 INFO [main.py:643]
{rank 0/100} MD step = 200300 step time: 00:00:00.020441 Performance: 315.000 ns/day 0.076 hours/ns 36.458 steps/s 2023-02-16 03:16:44,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200300 20030 40.743 -39418 4465.4 -43884 -43884 -0.27532 0.40749 0.13016 97999 2023-02-16 03:16:46,498 INFO [main.py:643]
{rank 0/100} MD step = 200400 step time: 00:00:00.020583 Performance: 315.003 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:16:47,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200400 20040 40.264 -39535 4413 -43948 -43948 -0.27755 0.40701 0.13031 98034 2023-02-16 03:16:49,188 INFO [main.py:643]
{rank 0/100} MD step = 200500 step time: 00:00:00.020405 Performance: 315.006 ns/day 0.076 hours/ns 36.459 steps/s 2023-02-16 03:16:49,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200500 20050 39.424 -39446 4320.9 -43767 -43767 -0.27655 0.40728 0.13072 98105 2023-02-16 03:16:51,829 INFO [main.py:643]
{rank 0/100} MD step = 200600 step time: 00:00:00.020643 Performance: 315.012 ns/day 0.076 hours/ns 36.460 steps/s 2023-02-16 03:16:52,228 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200600 20060 40.583 -39402 4447.9 -43850 -43850 -0.2767 0.40827 0.13003 98143 2023-02-16 03:16:54,571 INFO [main.py:643]
{rank 0/100} MD step = 200700 step time: 00:00:00.020550 Performance: 315.012 ns/day 0.076 hours/ns 36.460 steps/s 2023-02-16 03:16:55,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200700 20070 39.805 -39504 4362.7 -43867 -43867 -0.27612 0.40731 0.13029 98200 2023-02-16 03:16:57,257 INFO [main.py:643]
{rank 0/100} MD step = 200800 step time: 00:00:00.020424 Performance: 315.015 ns/day 0.076 hours/ns 36.460 steps/s 2023-02-16 03:16:57,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200800 20080 39.722 -39506 4353.6 -43860 -43860 -0.27779 0.40794 0.13073 98238 2023-02-16 03:16:59,950 INFO [main.py:643]
{rank 0/100} MD step = 200900 step time: 00:00:00.020539 Performance: 315.018 ns/day 0.076 hours/ns 36.460 steps/s 2023-02-16 03:17:00,625 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200900 20090 40.381 -39337 4425.8 -43763 -43763 -0.27743 0.40792 0.13136 98286 2023-02-16 03:17:02,661 INFO [main.py:643]
{rank 0/100} MD step = 201000 step time: 00:00:00.020415 Performance: 315.019 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:17:03,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201000 20100 40.102 -39456 4395.2 -43851 -43851 -0.27746 0.40818 0.1316 98343 2023-02-16 03:17:05,333 INFO [main.py:643]
{rank 0/100} MD step = 201100 step time: 00:00:00.020390 Performance: 315.023 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:17:05,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201100 20110 39.984 -39439 4382.3 -43821 -43821 -0.27708 0.40738 0.13121 98388 2023-02-16 03:17:07,996 INFO [main.py:643]
{rank 0/100} MD step = 201200 step time: 00:00:00.020498 Performance: 315.028 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:17:08,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201200 20120 39.784 -39451 4360.4 -43812 -43812 -0.27651 0.4081 0.13132 98428 2023-02-16 03:17:10,743 INFO [main.py:643]
{rank 0/100} MD step = 201300 step time: 00:00:00.020531 Performance: 315.028 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:17:11,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201300 20130 40.09 -39451 4393.9 -43845 -43845 -0.27518 0.40798 0.13186 98473 2023-02-16 03:17:13,402 INFO [main.py:643]
{rank 0/100} MD step = 201400 step time: 00:00:00.020618 Performance: 315.033 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:17:13,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201400 20140 39.876 -39502 4370.5 -43872 -43872 -0.27575 0.40859 0.13141 98537 2023-02-16 03:17:16,131 INFO [main.py:643]
{rank 0/100} MD step = 201500 step time: 00:00:00.020503 Performance: 315.033 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:17:16,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201500 20150 40.286 -39457 4415.4 -43873 -43873 -0.27723 0.40876 0.13116 98566 2023-02-16 03:17:18,865 INFO [main.py:643]
{rank 0/100} MD step = 201600 step time: 00:00:00.020290 Performance: 315.034 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:17:19,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201600 20160 40.522 -39327 4441.3 -43769 -43769 -0.27675 0.40922 0.13113 98613 2023-02-16 03:17:21,515 INFO [main.py:643]
{rank 0/100} MD step = 201700 step time: 00:00:00.020576 Performance: 315.039 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:17:22,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201700 20170 40.7 -39421 4460.7 -43881 -43881 -0.27767 0.41008 0.13075 98668 2023-02-16 03:17:24,296 INFO [main.py:643]
{rank 0/100} MD step = 201800 step time: 00:00:00.020556 Performance: 315.037 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:17:24,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201800 20180 39.95 -39453 4378.5 -43832 -43832 -0.27781 0.41129 0.13104 98723 2023-02-16 03:17:26,957 INFO [main.py:643]
{rank 0/100} MD step = 201900 step time: 00:00:00.020717 Performance: 315.042 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:17:27,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201900 20190 40.062 -39443 4390.8 -43834 -43834 -0.27633 0.41183 0.12989 98777 2023-02-16 03:17:29,621 INFO [main.py:643]
{rank 0/100} MD step = 202000 step time: 00:00:00.020413 Performance: 315.046 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:17:30,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202000 20200 39.799 -39485 4362 -43847 -43847 -0.27365 0.41193 0.12963 98838 2023-02-16 03:17:32,296 INFO [main.py:643]
{rank 0/100} MD step = 202100 step time: 00:00:00.020621 Performance: 315.050 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:17:32,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202100 20210 39.733 -39478 4354.8 -43833 -43833 -0.27327 0.41265 0.13024 98877 2023-02-16 03:17:34,941 INFO [main.py:643]
{rank 0/100} MD step = 202200 step time: 00:00:00.020525 Performance: 315.055 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:17:35,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202200 20220 39.799 -39505 4362 -43867 -43867 -0.27295 0.41314 0.13032 98925 2023-02-16 03:17:37,565 INFO [main.py:643]
{rank 0/100} MD step = 202300 step time: 00:00:00.021138 Performance: 315.062 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:17:38,076 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202300 20230 39.763 -39482 4358 -43840 -43840 -0.27259 0.4136 0.13089 98984 2023-02-16 03:17:40,221 INFO [main.py:643]
{rank 0/100} MD step = 202400 step time: 00:00:00.020536 Performance: 315.067 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:17:40,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202400 20240 40.197 -39371 4405.7 -43776 -43776 -0.2715 0.41314 0.13029 99027 2023-02-16 03:17:42,948 INFO [main.py:643]
{rank 0/100} MD step = 202500 step time: 00:00:00.020586 Performance: 315.068 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:17:43,450 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202500 20250 40.374 -39410 4425 -43835 -43835 -0.27246 0.41376 0.13043 99068 2023-02-16 03:17:45,588 INFO [main.py:643]
{rank 0/100} MD step = 202600 step time: 00:00:00.020454 Performance: 315.074 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:17:46,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202600 20260 40.906 -39367 4483.4 -43851 -43851 -0.27198 0.41522 0.13015 99140 2023-02-16 03:17:48,307 INFO [main.py:643]
{rank 0/100} MD step = 202700 step time: 00:00:00.021704 Performance: 315.075 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:17:48,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202700 20270 40.078 -39407 4392.6 -43800 -43800 -0.27082 0.41541 0.13088 99193 2023-02-16 03:17:50,935 INFO [main.py:643]
{rank 0/100} MD step = 202800 step time: 00:00:00.020665 Performance: 315.081 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:17:51,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202800 20280 39.713 -39455 4352.6 -43807 -43807 -0.27019 0.4153 0.13232 99245 2023-02-16 03:17:53,599 INFO [main.py:643]
{rank 0/100} MD step = 202900 step time: 00:00:00.020527 Performance: 315.086 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:17:54,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202900 20290 40.282 -39437 4415 -43852 -43852 -0.27076 0.41527 0.13246 99296 2023-02-16 03:17:56,316 INFO [main.py:643]
{rank 0/100} MD step = 203000 step time: 00:00:00.020537 Performance: 315.087 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:17:56,970 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203000 20300 40.155 -39413 4401 -43814 -43814 -0.27129 0.41528 0.13216 99356 2023-02-16 03:17:59,037 INFO [main.py:643]
{rank 0/100} MD step = 203100 step time: 00:00:00.020434 Performance: 315.088 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:17:59,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203100 20310 40.364 -39403 4424 -43827 -43827 -0.27386 0.41507 0.13127 99409 2023-02-16 03:18:01,702 INFO [main.py:643]
{rank 0/100} MD step = 203200 step time: 00:00:00.020580 Performance: 315.093 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:18:02,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203200 20320 39.81 -39400 4363.2 -43764 -43764 -0.2739 0.41516 0.13153 99460 2023-02-16 03:18:04,432 INFO [main.py:643]
{rank 0/100} MD step = 203300 step time: 00:00:00.020406 Performance: 315.094 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:18:04,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203300 20330 40.406 -39429 4428.5 -43858 -43858 -0.27535 0.41488 0.1321 99497 2023-02-16 03:18:07,122 INFO [main.py:643]
{rank 0/100} MD step = 203400 step time: 00:00:00.020301 Performance: 315.096 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:18:07,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203400 20340 40.77 -39382 4468.5 -43851 -43851 -0.2756 0.41477 0.13245 99557 2023-02-16 03:18:09,785 INFO [main.py:643]
{rank 0/100} MD step = 203500 step time: 00:00:00.020480 Performance: 315.101 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 03:18:10,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203500 20350 40.514 -39413 4440.3 -43853 -43853 -0.27592 0.41501 0.13243 99616 2023-02-16 03:18:12,500 INFO [main.py:643]
{rank 0/100} MD step = 203600 step time: 00:00:00.020564 Performance: 315.102 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 03:18:13,146 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203600 20360 39.259 -39511 4302.8 -43814 -43814 -0.27576 0.41547 0.1325 99666 2023-02-16 03:18:15,191 INFO [main.py:643]
{rank 0/100} MD step = 203700 step time: 00:00:00.020459 Performance: 315.105 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:18:15,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203700 20370 40.208 -39540 4406.8 -43946 -43946 -0.27692 0.41553 0.13311 99696 2023-02-16 03:18:17,991 INFO [main.py:643]
{rank 0/100} MD step = 203800 step time: 00:00:00.020379 Performance: 315.102 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 03:18:18,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203800 20380 40.522 -39394 4441.3 -43835 -43835 -0.27742 0.41657 0.13217 99759 2023-02-16 03:18:20,675 INFO [main.py:643]
{rank 0/100} MD step = 203900 step time: 00:00:00.020742 Performance: 315.105 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:18:21,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203900 20390 39.83 -39521 4365.4 -43887 -43887 -0.27801 0.41744 0.13197 99804 2023-02-16 03:18:23,347 INFO [main.py:643]
{rank 0/100} MD step = 204000 step time: 00:00:00.020492 Performance: 315.109 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:18:23,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204000 20400 40.131 -39427 4398.4 -43826 -43826 -0.27811 0.41774 0.13175 99857 2023-02-16 03:18:26,018 INFO [main.py:643]
{rank 0/100} MD step = 204100 step time: 00:00:00.020427 Performance: 315.113 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:18:26,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204100 20410 39.939 -39462 4377.3 -43840 -43840 -0.27868 0.41795 0.13279 99894 2023-02-16 03:18:28,786 INFO [main.py:643]
{rank 0/100} MD step = 204200 step time: 00:00:00.020503 Performance: 315.112 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:18:29,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204200 20420 40.023 -39374 4386.5 -43760 -43760 -0.27735 0.41751 0.13357 99949 2023-02-16 03:18:31,492 INFO [main.py:643]
{rank 0/100} MD step = 204300 step time: 00:00:00.020703 Performance: 315.114 ns/day 0.076 hours/ns 36.472 steps/s 2023-02-16 03:18:32,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204300 20430 40.125 -39448 4397.7 -43845 -43845 -0.27796 0.41706 0.13355 99997 2023-02-16 03:18:34,365 INFO [main.py:643]
{rank 0/100} MD step = 204400 step time: 00:00:00.020499 Performance: 315.106 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:18:34,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204400 20440 39.74 -39478 4355.5 -43833 -43833 -0.27747 0.41751 0.1343 1.0003e+05 2023-02-16 03:18:36,993 INFO [main.py:643]
{rank 0/100} MD step = 204500 step time: 00:00:00.020542 Performance: 315.113 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:18:37,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204500 20450 39.991 -39430 4383.1 -43813 -43813 -0.27874 0.41755 0.13454 1.0007e+05 2023-02-16 03:18:39,688 INFO [main.py:643]
{rank 0/100} MD step = 204600 step time: 00:00:00.020429 Performance: 315.115 ns/day 0.076 hours/ns 36.472 steps/s 2023-02-16 03:18:40,277 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204600 20460 39.443 -39523 4323 -43846 -43846 -0.27865 0.41738 0.1347 1.0013e+05 2023-02-16 03:18:42,325 INFO [main.py:643]
{rank 0/100} MD step = 204700 step time: 00:00:00.020316 Performance: 315.121 ns/day 0.076 hours/ns 36.472 steps/s 2023-02-16 03:18:42,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204700 20470 40.293 -39455 4416.1 -43871 -43871 -0.27903 0.41732 0.13528 1.0017e+05 2023-02-16 03:18:44,986 INFO [main.py:643]
{rank 0/100} MD step = 204800 step time: 00:00:00.020401 Performance: 315.126 ns/day 0.076 hours/ns 36.473 steps/s 2023-02-16 03:18:45,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204800 20480 40.261 -39446 4412.7 -43859 -43859 -0.27959 0.41788 0.13571 1.0023e+05 2023-02-16 03:18:47,640 INFO [main.py:643]
{rank 0/100} MD step = 204900 step time: 00:00:00.020491 Performance: 315.131 ns/day 0.076 hours/ns 36.473 steps/s 2023-02-16 03:18:48,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204900 20490 39.848 -39474 4367.3 -43841 -43841 -0.2794 0.41791 0.13552 1.0029e+05 2023-02-16 03:18:50,281 INFO [main.py:643]
{rank 0/100} MD step = 205000 step time: 00:00:00.020592 Performance: 315.136 ns/day 0.076 hours/ns 36.474 steps/s 2023-02-16 03:18:50,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205000 20500 39.242 -39579 4301 -43880 -43880 -0.27906 0.41789 0.1368 1.0032e+05 2023-02-16 03:18:52,965 INFO [main.py:643]
{rank 0/100} MD step = 205100 step time: 00:00:00.020390 Performance: 315.140 ns/day 0.076 hours/ns 36.474 steps/s 2023-02-16 03:18:53,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205100 20510 40.072 -39458 4391.9 -43850 -43850 -0.2787 0.41811 0.13683 1.0039e+05 2023-02-16 03:18:55,676 INFO [main.py:643]
{rank 0/100} MD step = 205200 step time: 00:00:00.020418 Performance: 315.141 ns/day 0.076 hours/ns 36.475 steps/s 2023-02-16 03:18:56,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205200 20520 39.764 -39477 4358.2 -43835 -43835 -0.2788 0.41903 0.13709 1.0042e+05 2023-02-16 03:18:58,397 INFO [main.py:643]
{rank 0/100} MD step = 205300 step time: 00:00:00.021236 Performance: 315.143 ns/day 0.076 hours/ns 36.475 steps/s 2023-02-16 03:18:59,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205300 20530 39.325 -39501 4310.1 -43811 -43811 -0.27758 0.41955 0.13702 1.0047e+05 2023-02-16 03:19:01,084 INFO [main.py:643]
{rank 0/100} MD step = 205400 step time: 00:00:00.020517 Performance: 315.146 ns/day 0.076 hours/ns 36.475 steps/s 2023-02-16 03:19:01,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205400 20540 39.815 -39426 4363.7 -43789 -43789 -0.27893 0.42005 0.13746 1.0053e+05 2023-02-16 03:19:03,782 INFO [main.py:643]
{rank 0/100} MD step = 205500 step time: 00:00:00.020487 Performance: 315.148 ns/day 0.076 hours/ns 36.475 steps/s 2023-02-16 03:19:04,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205500 20550 40.005 -39400 4384.6 -43785 -43785 -0.2792 0.42091 0.13767 1.0058e+05 2023-02-16 03:19:06,423 INFO [main.py:643]
{rank 0/100} MD step = 205600 step time: 00:00:00.020606 Performance: 315.154 ns/day 0.076 hours/ns 36.476 steps/s 2023-02-16 03:19:06,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205600 20560 40.327 -39428 4419.9 -43847 -43847 -0.28043 0.42096 0.13772 1.0062e+05 2023-02-16 03:19:09,176 INFO [main.py:643]
{rank 0/100} MD step = 205700 step time: 00:00:00.020692 Performance: 315.153 ns/day 0.076 hours/ns 36.476 steps/s 2023-02-16 03:19:09,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205700 20570 39.46 -39562 4324.9 -43887 -43887 -0.2806 0.42147 0.13745 1.0067e+05 2023-02-16 03:19:11,847 INFO [main.py:643]
{rank 0/100} MD step = 205800 step time: 00:00:00.020446 Performance: 315.157 ns/day 0.076 hours/ns 36.476 steps/s 2023-02-16 03:19:12,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205800 20580 40.427 -39359 4430.9 -43789 -43789 -0.2816 0.42117 0.13736 1.0074e+05 2023-02-16 03:19:14,534 INFO [main.py:643]
{rank 0/100} MD step = 205900 step time: 00:00:00.020522 Performance: 315.160 ns/day 0.076 hours/ns 36.477 steps/s 2023-02-16 03:19:15,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205900 20590 40.984 -39315 4491.9 -43806 -43806 -0.28125 0.42178 0.13646 1.0076e+05 2023-02-16 03:19:17,219 INFO [main.py:643]
{rank 0/100} MD step = 206000 step time: 00:00:00.020591 Performance: 315.163 ns/day 0.076 hours/ns 36.477 steps/s 2023-02-16 03:19:17,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206000 20600 39.694 -39519 4350.5 -43869 -43869 -0.28018 0.4224 0.13681 1.008e+05 2023-02-16 03:19:19,923 INFO [main.py:643]
{rank 0/100} MD step = 206100 step time: 00:00:00.020629 Performance: 315.165 ns/day 0.076 hours/ns 36.477 steps/s 2023-02-16 03:19:20,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206100 20610 39.876 -39504 4370.5 -43875 -43875 -0.28025 0.42227 0.1366 1.0085e+05 2023-02-16 03:19:22,619 INFO [main.py:643]
{rank 0/100} MD step = 206200 step time: 00:00:00.020687 Performance: 315.168 ns/day 0.076 hours/ns 36.478 steps/s 2023-02-16 03:19:23,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206200 20620 40.333 -39414 4420.5 -43835 -43835 -0.28122 0.42224 0.1373 1.009e+05 2023-02-16 03:19:25,338 INFO [main.py:643]
{rank 0/100} MD step = 206300 step time: 00:00:00.020533 Performance: 315.169 ns/day 0.076 hours/ns 36.478 steps/s 2023-02-16 03:19:25,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206300 20630 39.649 -39447 4345.6 -43793 -43793 -0.28032 0.42182 0.13734 1.0095e+05 2023-02-16 03:19:27,986 INFO [main.py:643]
{rank 0/100} MD step = 206400 step time: 00:00:00.020416 Performance: 315.174 ns/day 0.076 hours/ns 36.478 steps/s 2023-02-16 03:19:28,634 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206400 20640 39.832 -39479 4365.7 -43845 -43845 -0.28015 0.42262 0.13757 1.0098e+05 2023-02-16 03:19:30,678 INFO [main.py:643]
{rank 0/100} MD step = 206500 step time: 00:00:00.020569 Performance: 315.177 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 03:19:31,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206500 20650 40.067 -39405 4391.4 -43796 -43796 -0.27963 0.42254 0.13756 1.0103e+05 2023-02-16 03:19:33,328 INFO [main.py:643]
{rank 0/100} MD step = 206600 step time: 00:00:00.020458 Performance: 315.182 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 03:19:34,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206600 20660 40.02 -39410 4386.2 -43796 -43796 -0.28066 0.42245 0.13757 1.0107e+05 2023-02-16 03:19:36,077 INFO [main.py:643]
{rank 0/100} MD step = 206700 step time: 00:00:00.020454 Performance: 315.182 ns/day 0.076 hours/ns 36.479 steps/s 2023-02-16 03:19:36,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206700 20670 40.094 -39382 4394.3 -43776 -43776 -0.28127 0.42362 0.13687 1.0113e+05 2023-02-16 03:19:38,759 INFO [main.py:643]
{rank 0/100} MD step = 206800 step time: 00:00:00.020390 Performance: 315.185 ns/day 0.076 hours/ns 36.480 steps/s 2023-02-16 03:19:39,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206800 20680 39.276 -39577 4304.7 -43882 -43882 -0.28272 0.42351 0.13643 1.0118e+05 2023-02-16 03:19:41,420 INFO [main.py:643]
{rank 0/100} MD step = 206900 step time: 00:00:00.020634 Performance: 315.189 ns/day 0.076 hours/ns 36.480 steps/s 2023-02-16 03:19:42,029 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206900 20690 39.969 -39425 4380.7 -43806 -43806 -0.28223 0.42427 0.13591 1.0124e+05 2023-02-16 03:19:44,069 INFO [main.py:643]
{rank 0/100} MD step = 207000 step time: 00:00:00.020452 Performance: 315.195 ns/day 0.076 hours/ns 36.481 steps/s 2023-02-16 03:19:44,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207000 20700 39.876 -39509 4370.4 -43879 -43879 -0.28451 0.42378 0.13671 1.0128e+05 2023-02-16 03:19:46,790 INFO [main.py:643]
{rank 0/100} MD step = 207100 step time: 00:00:00.020576 Performance: 315.196 ns/day 0.076 hours/ns 36.481 steps/s 2023-02-16 03:19:47,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207100 20710 40.298 -39462 4416.7 -43879 -43879 -0.28397 0.42454 0.13606 1.0133e+05 2023-02-16 03:19:49,485 INFO [main.py:643]
{rank 0/100} MD step = 207200 step time: 00:00:00.020438 Performance: 315.198 ns/day 0.076 hours/ns 36.481 steps/s 2023-02-16 03:19:49,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207200 20720 40.468 -39441 4435.3 -43877 -43877 -0.28378 0.42421 0.13706 1.0137e+05 2023-02-16 03:19:52,130 INFO [main.py:643]
{rank 0/100} MD step = 207300 step time: 00:00:00.020466 Performance: 315.203 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:19:52,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207300 20730 40.19 -39429 4404.9 -43834 -43834 -0.28354 0.42353 0.13799 1.0142e+05 2023-02-16 03:19:54,884 INFO [main.py:643]
{rank 0/100} MD step = 207400 step time: 00:00:00.020362 Performance: 315.203 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:19:55,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207400 20740 39.548 -39463 4334.5 -43797 -43797 -0.28464 0.42364 0.13816 1.0147e+05 2023-02-16 03:19:57,630 INFO [main.py:643]
{rank 0/100} MD step = 207500 step time: 00:00:00.020407 Performance: 315.203 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:19:58,244 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207500 20750 39.842 -39502 4366.7 -43868 -43868 -0.28556 0.42391 0.13793 1.0151e+05 2023-02-16 03:20:00,358 INFO [main.py:643]
{rank 0/100} MD step = 207600 step time: 00:00:00.020829 Performance: 315.203 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:20:00,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207600 20760 40.299 -39393 4416.8 -43810 -43810 -0.28497 0.42344 0.13794 1.0158e+05 2023-02-16 03:20:03,136 INFO [main.py:643]
{rank 0/100} MD step = 207700 step time: 00:00:00.020406 Performance: 315.201 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:20:03,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207700 20770 39.653 -39465 4346 -43811 -43811 -0.28529 0.42475 0.13846 1.0163e+05 2023-02-16 03:20:05,823 INFO [main.py:643]
{rank 0/100} MD step = 207800 step time: 00:00:00.020499 Performance: 315.204 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:20:06,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207800 20780 40.251 -39469 4411.5 -43880 -43880 -0.28596 0.42495 0.13837 1.0167e+05 2023-02-16 03:20:08,595 INFO [main.py:643]
{rank 0/100} MD step = 207900 step time: 00:00:00.020473 Performance: 315.203 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:20:09,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207900 20790 39.989 -39530 4382.9 -43913 -43913 -0.28516 0.42559 0.13789 1.0172e+05 2023-02-16 03:20:11,356 INFO [main.py:643]
{rank 0/100} MD step = 208000 step time: 00:00:00.020463 Performance: 315.201 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:20:12,010 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208000 20800 39.747 -39391 4356.3 -43747 -43747 -0.28376 0.42587 0.13802 1.0176e+05 2023-02-16 03:20:14,085 INFO [main.py:643]
{rank 0/100} MD step = 208100 step time: 00:00:00.020321 Performance: 315.202 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:20:14,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208100 20810 39.673 -39468 4348.2 -43817 -43817 -0.2856 0.42528 0.13808 1.0181e+05 2023-02-16 03:20:16,741 INFO [main.py:643]
{rank 0/100} MD step = 208200 step time: 00:00:00.020546 Performance: 315.207 ns/day 0.076 hours/ns 36.482 steps/s 2023-02-16 03:20:17,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208200 20820 40.213 -39458 4407.4 -43865 -43865 -0.28557 0.42576 0.13798 1.0185e+05 2023-02-16 03:20:19,416 INFO [main.py:643]
{rank 0/100} MD step = 208300 step time: 00:00:00.020931 Performance: 315.210 ns/day 0.076 hours/ns 36.483 steps/s 2023-02-16 03:20:20,052 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208300 20830 40.042 -39517 4388.6 -43906 -43906 -0.28482 0.42643 0.13738 1.0191e+05 2023-02-16 03:20:22,132 INFO [main.py:643]
{rank 0/100} MD step = 208400 step time: 00:00:00.020346 Performance: 315.212 ns/day 0.076 hours/ns 36.483 steps/s 2023-02-16 03:20:23,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208400 20840 39.96 -39455 4379.7 -43835 -43835 -0.2839 0.42612 0.13777 1.0195e+05 2023-02-16 03:20:25,114 INFO [main.py:643]
{rank 0/100} MD step = 208500 step time: 00:00:00.020586 Performance: 315.198 ns/day 0.076 hours/ns 36.481 steps/s 2023-02-16 03:20:27,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208500 20850 40.076 -39420 4392.3 -43812 -43812 -0.28263 0.42594 0.13789 1.02e+05 2023-02-16 03:20:29,222 INFO [main.py:643]
{rank 0/100} MD step = 208600 step time: 00:00:00.020510 Performance: 315.123 ns/day 0.076 hours/ns 36.473 steps/s 2023-02-16 03:20:30,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208600 20860 39.899 -39431 4373 -43804 -43804 -0.28329 0.426 0.13752 1.0206e+05 2023-02-16 03:20:32,266 INFO [main.py:643]
{rank 0/100} MD step = 208700 step time: 00:00:00.020465 Performance: 315.107 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:20:33,252 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208700 20870 39.596 -39540 4339.7 -43880 -43880 -0.28294 0.42614 0.13738 1.0208e+05 2023-02-16 03:20:35,285 INFO [main.py:643]
{rank 0/100} MD step = 208800 step time: 00:00:00.020419 Performance: 315.091 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:20:36,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208800 20880 39.586 -39515 4338.6 -43854 -43854 -0.28245 0.4258 0.13708 1.0214e+05 2023-02-16 03:20:38,607 INFO [main.py:643]
{rank 0/100} MD step = 208900 step time: 00:00:00.020376 Performance: 315.059 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:20:39,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208900 20890 40.354 -39468 4422.9 -43891 -43891 -0.28083 0.42604 0.13769 1.0218e+05 2023-02-16 03:20:41,574 INFO [main.py:643]
{rank 0/100} MD step = 209000 step time: 00:00:00.020536 Performance: 315.047 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:20:42,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209000 20900 40.446 -39468 4432.9 -43901 -43901 -0.27957 0.42625 0.13816 1.0224e+05 2023-02-16 03:20:44,275 INFO [main.py:643]
{rank 0/100} MD step = 209100 step time: 00:00:00.020362 Performance: 315.049 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:20:44,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209100 20910 39.821 -39524 4364.5 -43889 -43889 -0.27866 0.42636 0.13754 1.0228e+05 2023-02-16 03:20:46,973 INFO [main.py:643]
{rank 0/100} MD step = 209200 step time: 00:00:00.020645 Performance: 315.052 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:20:47,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209200 20920 40.134 -39527 4398.7 -43926 -43926 -0.27794 0.42667 0.1378 1.0233e+05 2023-02-16 03:20:49,673 INFO [main.py:643]
{rank 0/100} MD step = 209300 step time: 00:00:00.020494 Performance: 315.054 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:20:50,295 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209300 20930 40.423 -39402 4430.5 -43832 -43832 -0.27895 0.42531 0.13797 1.0239e+05 2023-02-16 03:20:52,348 INFO [main.py:643]
{rank 0/100} MD step = 209400 step time: 00:00:00.020551 Performance: 315.058 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:20:53,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209400 20940 39.701 -39500 4351.3 -43852 -43852 -0.27779 0.42538 0.13752 1.0245e+05 2023-02-16 03:20:55,324 INFO [main.py:643]
{rank 0/100} MD step = 209500 step time: 00:00:00.020569 Performance: 315.045 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:20:56,261 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209500 20950 39.899 -39450 4373 -43823 -43823 -0.2791 0.42532 0.13835 1.025e+05 2023-02-16 03:20:58,305 INFO [main.py:643]
{rank 0/100} MD step = 209600 step time: 00:00:00.021719 Performance: 315.032 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:20:59,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209600 20960 40.38 -39421 4425.7 -43847 -43847 -0.28036 0.42512 0.13768 1.0254e+05 2023-02-16 03:21:01,217 INFO [main.py:643]
{rank 0/100} MD step = 209700 step time: 00:00:00.020767 Performance: 315.023 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:21:01,847 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209700 20970 39.908 -39429 4374 -43803 -43803 -0.28076 0.4249 0.13972 1.0258e+05 2023-02-16 03:21:03,880 INFO [main.py:643]
{rank 0/100} MD step = 209800 step time: 00:00:00.020434 Performance: 315.027 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:21:04,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209800 20980 40.635 -39314 4453.6 -43767 -43767 -0.28157 0.42542 0.1394 1.0264e+05 2023-02-16 03:21:06,533 INFO [main.py:643]
{rank 0/100} MD step = 209900 step time: 00:00:00.020519 Performance: 315.032 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:07,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209900 20990 40.122 -39496 4397.4 -43893 -43893 -0.2818 0.42602 0.13907 1.0268e+05 2023-02-16 03:21:09,405 INFO [main.py:643]
{rank 0/100} MD step = 210000 step time: 00:00:00.020397 Performance: 315.025 ns/day 0.076 hours/ns 36.461 steps/s 2023-02-16 03:21:09,872 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210000 21000 40.137 -39405 4399.1 -43804 -43804 -0.27984 0.42616 0.1389 1.0272e+05 2023-02-16 03:21:12,063 INFO [main.py:643]
{rank 0/100} MD step = 210100 step time: 00:00:00.020469 Performance: 315.029 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:12,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210100 21010 40.443 -39419 4432.6 -43852 -43852 -0.27784 0.42638 0.13892 1.0277e+05 2023-02-16 03:21:14,826 INFO [main.py:643]
{rank 0/100} MD step = 210200 step time: 00:00:00.020454 Performance: 315.028 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:15,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210200 21020 39.42 -39541 4320.4 -43861 -43861 -0.27785 0.42677 0.14018 1.028e+05 2023-02-16 03:21:17,526 INFO [main.py:643]
{rank 0/100} MD step = 210300 step time: 00:00:00.021280 Performance: 315.031 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:18,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210300 21030 40.724 -39340 4463.4 -43803 -43803 -0.27868 0.42707 0.14161 1.0286e+05 2023-02-16 03:21:20,233 INFO [main.py:643]
{rank 0/100} MD step = 210400 step time: 00:00:00.020705 Performance: 315.033 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:20,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210400 21040 39.625 -39529 4343 -43871 -43871 -0.28019 0.4281 0.14167 1.029e+05 2023-02-16 03:21:22,969 INFO [main.py:643]
{rank 0/100} MD step = 210500 step time: 00:00:00.020494 Performance: 315.033 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:23,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210500 21050 39.854 -39371 4368 -43739 -43739 -0.28017 0.42831 0.14168 1.0295e+05 2023-02-16 03:21:25,688 INFO [main.py:643]
{rank 0/100} MD step = 210600 step time: 00:00:00.020529 Performance: 315.034 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:26,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210600 21060 40.33 -39378 4420.2 -43798 -43798 -0.28043 0.42825 0.14271 1.0299e+05 2023-02-16 03:21:28,456 INFO [main.py:643]
{rank 0/100} MD step = 210700 step time: 00:00:00.020491 Performance: 315.033 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:29,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210700 21070 40.063 -39496 4390.9 -43887 -43887 -0.28003 0.4289 0.1426 1.0303e+05 2023-02-16 03:21:31,164 INFO [main.py:643]
{rank 0/100} MD step = 210800 step time: 00:00:00.020440 Performance: 315.035 ns/day 0.076 hours/ns 36.462 steps/s 2023-02-16 03:21:31,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210800 21080 40.245 -39323 4410.9 -43734 -43734 -0.28122 0.42837 0.14275 1.0308e+05 2023-02-16 03:21:33,839 INFO [main.py:643]
{rank 0/100} MD step = 210900 step time: 00:00:00.020614 Performance: 315.038 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:21:34,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210900 21090 39.649 -39464 4345.6 -43810 -43810 -0.28109 0.42917 0.1435 1.0314e+05 2023-02-16 03:21:36,566 INFO [main.py:643]
{rank 0/100} MD step = 211000 step time: 00:00:00.020477 Performance: 315.039 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:21:37,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211000 21100 40.47 -39387 4435.5 -43822 -43822 -0.27973 0.42932 0.14291 1.0316e+05 2023-02-16 03:21:39,279 INFO [main.py:643]
{rank 0/100} MD step = 211100 step time: 00:00:00.020714 Performance: 315.041 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:21:39,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211100 21110 39.769 -39534 4358.8 -43892 -43892 -0.27902 0.42948 0.14338 1.0322e+05 2023-02-16 03:21:41,988 INFO [main.py:643]
{rank 0/100} MD step = 211200 step time: 00:00:00.020756 Performance: 315.043 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:21:42,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211200 21120 40.205 -39446 4406.5 -43853 -43853 -0.27817 0.42905 0.14307 1.0327e+05 2023-02-16 03:21:44,671 INFO [main.py:643]
{rank 0/100} MD step = 211300 step time: 00:00:00.020643 Performance: 315.046 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:21:45,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211300 21130 40.585 -39374 4448.2 -43822 -43822 -0.27754 0.42965 0.14266 1.0335e+05 2023-02-16 03:21:47,427 INFO [main.py:643]
{rank 0/100} MD step = 211400 step time: 00:00:00.020572 Performance: 315.045 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:21:47,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211400 21140 39.54 -39540 4333.7 -43873 -43873 -0.27872 0.42951 0.14247 1.034e+05 2023-02-16 03:21:50,164 INFO [main.py:643]
{rank 0/100} MD step = 211500 step time: 00:00:00.020535 Performance: 315.045 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:21:50,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211500 21150 40.061 -39434 4390.7 -43825 -43825 -0.27763 0.42942 0.1424 1.0344e+05 2023-02-16 03:21:52,896 INFO [main.py:643]
{rank 0/100} MD step = 211600 step time: 00:00:00.020460 Performance: 315.046 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:21:53,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211600 21160 39.921 -39433 4375.4 -43808 -43808 -0.27664 0.43009 0.14252 1.0349e+05 2023-02-16 03:21:55,682 INFO [main.py:643]
{rank 0/100} MD step = 211700 step time: 00:00:00.020468 Performance: 315.044 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:21:56,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211700 21170 39.743 -39462 4355.9 -43818 -43818 -0.27786 0.43077 0.14216 1.0354e+05 2023-02-16 03:21:58,405 INFO [main.py:643]
{rank 0/100} MD step = 211800 step time: 00:00:00.020914 Performance: 315.045 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:21:59,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211800 21180 39.873 -39490 4370.1 -43860 -43860 -0.27765 0.43063 0.14254 1.0359e+05 2023-02-16 03:22:01,147 INFO [main.py:643]
{rank 0/100} MD step = 211900 step time: 00:00:00.020511 Performance: 315.045 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:22:01,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211900 21190 39.468 -39518 4325.7 -43844 -43844 -0.27765 0.43053 0.14235 1.0364e+05 2023-02-16 03:22:03,851 INFO [main.py:643]
{rank 0/100} MD step = 212000 step time: 00:00:00.020359 Performance: 315.047 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:22:04,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212000 21200 39.72 -39516 4353.4 -43869 -43869 -0.27818 0.43061 0.14321 1.0369e+05 2023-02-16 03:22:06,578 INFO [main.py:643]
{rank 0/100} MD step = 212100 step time: 00:00:00.020488 Performance: 315.048 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:22:07,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212100 21210 40.391 -39333 4426.9 -43760 -43760 -0.27848 0.43197 0.14262 1.0373e+05 2023-02-16 03:22:09,242 INFO [main.py:643]
{rank 0/100} MD step = 212200 step time: 00:00:00.020595 Performance: 315.052 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:22:09,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212200 21220 39.994 -39467 4383.4 -43850 -43850 -0.2778 0.43298 0.14223 1.0378e+05 2023-02-16 03:22:11,919 INFO [main.py:643]
{rank 0/100} MD step = 212300 step time: 00:00:00.020539 Performance: 315.055 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:12,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212300 21230 40.283 -39437 4415.1 -43852 -43852 -0.27931 0.43318 0.14256 1.0383e+05 2023-02-16 03:22:14,646 INFO [main.py:643]
{rank 0/100} MD step = 212400 step time: 00:00:00.020339 Performance: 315.056 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:14,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212400 21240 40.1 -39445 4395 -43840 -43840 -0.27944 0.43343 0.14359 1.0388e+05 2023-02-16 03:22:17,383 INFO [main.py:643]
{rank 0/100} MD step = 212500 step time: 00:00:00.020695 Performance: 315.057 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:17,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212500 21250 39.942 -39340 4377.7 -43717 -43717 -0.28008 0.43364 0.14277 1.0394e+05 2023-02-16 03:22:20,059 INFO [main.py:643]
{rank 0/100} MD step = 212600 step time: 00:00:00.020615 Performance: 315.060 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:20,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212600 21260 39.915 -39456 4374.8 -43831 -43831 -0.2809 0.43363 0.14297 1.0397e+05 2023-02-16 03:22:22,758 INFO [main.py:643]
{rank 0/100} MD step = 212700 step time: 00:00:00.020470 Performance: 315.063 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:22:23,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212700 21270 39.595 -39499 4339.7 -43839 -43839 -0.28115 0.43429 0.14313 1.0403e+05 2023-02-16 03:22:25,466 INFO [main.py:643]
{rank 0/100} MD step = 212800 step time: 00:00:00.020428 Performance: 315.064 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:22:26,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212800 21280 40.107 -39414 4395.7 -43809 -43809 -0.27872 0.4347 0.14304 1.0408e+05 2023-02-16 03:22:28,249 INFO [main.py:643]
{rank 0/100} MD step = 212900 step time: 00:00:00.021901 Performance: 315.062 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:22:28,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212900 21290 40.281 -39373 4414.9 -43788 -43788 -0.27899 0.43455 0.14339 1.0412e+05 2023-02-16 03:22:30,969 INFO [main.py:643]
{rank 0/100} MD step = 213000 step time: 00:00:00.020529 Performance: 315.063 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:22:31,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213000 21300 40.687 -39329 4459.3 -43788 -43788 -0.27922 0.43593 0.14309 1.0416e+05 2023-02-16 03:22:33,665 INFO [main.py:643]
{rank 0/100} MD step = 213100 step time: 00:00:00.020455 Performance: 315.066 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:22:34,457 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213100 21310 39.967 -39450 4380.5 -43830 -43830 -0.28021 0.43601 0.14321 1.0422e+05 2023-02-16 03:22:36,502 INFO [main.py:643]
{rank 0/100} MD step = 213200 step time: 00:00:00.020416 Performance: 315.061 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:37,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213200 21320 40.15 -39446 4400.5 -43847 -43847 -0.28139 0.4361 0.1434 1.0426e+05 2023-02-16 03:22:39,272 INFO [main.py:643]
{rank 0/100} MD step = 213300 step time: 00:00:00.020521 Performance: 315.059 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:39,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213300 21330 39.807 -39548 4362.9 -43911 -43911 -0.28203 0.43685 0.14279 1.0431e+05 2023-02-16 03:22:41,969 INFO [main.py:643]
{rank 0/100} MD step = 213400 step time: 00:00:00.020455 Performance: 315.062 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:42,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213400 21340 40.856 -39273 4477.8 -43751 -43751 -0.28247 0.43738 0.14283 1.0437e+05 2023-02-16 03:22:44,621 INFO [main.py:643]
{rank 0/100} MD step = 213500 step time: 00:00:00.020395 Performance: 315.067 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:22:45,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213500 21350 39.832 -39404 4365.6 -43770 -43770 -0.28221 0.43667 0.14335 1.0441e+05 2023-02-16 03:22:47,736 INFO [main.py:643]
{rank 0/100} MD step = 213600 step time: 00:00:00.020602 Performance: 315.047 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:22:48,208 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213600 21360 39.595 -39450 4339.7 -43790 -43790 -0.27941 0.43652 0.14395 1.0445e+05 2023-02-16 03:22:50,419 INFO [main.py:643]
{rank 0/100} MD step = 213700 step time: 00:00:00.020427 Performance: 315.050 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:22:51,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213700 21370 40.465 -39390 4435 -43825 -43825 -0.27943 0.43679 0.14412 1.0451e+05 2023-02-16 03:22:53,064 INFO [main.py:643]
{rank 0/100} MD step = 213800 step time: 00:00:00.020689 Performance: 315.055 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:53,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213800 21380 39.475 -39528 4326.6 -43854 -43854 -0.27847 0.43749 0.14491 1.0457e+05 2023-02-16 03:22:55,822 INFO [main.py:643]
{rank 0/100} MD step = 213900 step time: 00:00:00.020440 Performance: 315.054 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:56,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213900 21390 40.895 -39375 4482.2 -43857 -43857 -0.27898 0.43854 0.14512 1.0462e+05 2023-02-16 03:22:58,499 INFO [main.py:643]
{rank 0/100} MD step = 214000 step time: 00:00:00.020476 Performance: 315.058 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:22:59,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214000 21400 39.671 -39549 4348 -43897 -43897 -0.27937 0.43862 0.14479 1.0466e+05 2023-02-16 03:23:01,337 INFO [main.py:643]
{rank 0/100} MD step = 214100 step time: 00:00:00.020453 Performance: 315.053 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:23:01,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214100 21410 39.798 -39533 4361.9 -43894 -43894 -0.27937 0.43938 0.14547 1.047e+05 2023-02-16 03:23:03,999 INFO [main.py:643]
{rank 0/100} MD step = 214200 step time: 00:00:00.020472 Performance: 315.057 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:04,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214200 21420 40.622 -39471 4452.2 -43923 -43923 -0.27771 0.43839 0.14499 1.0476e+05 2023-02-16 03:23:06,696 INFO [main.py:643]
{rank 0/100} MD step = 214300 step time: 00:00:00.020396 Performance: 315.059 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:07,325 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214300 21430 39.714 -39507 4352.7 -43860 -43860 -0.27733 0.43891 0.14561 1.0481e+05 2023-02-16 03:23:09,370 INFO [main.py:643]
{rank 0/100} MD step = 214400 step time: 00:00:00.020424 Performance: 315.063 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:23:09,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214400 21440 40.456 -39467 4434 -43901 -43901 -0.27867 0.44037 0.14568 1.0485e+05 2023-02-16 03:23:12,153 INFO [main.py:643]
{rank 0/100} MD step = 214500 step time: 00:00:00.020370 Performance: 315.061 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:12,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214500 21450 39.914 -39395 4374.7 -43770 -43770 -0.27972 0.44142 0.14607 1.0491e+05 2023-02-16 03:23:14,819 INFO [main.py:643]
{rank 0/100} MD step = 214600 step time: 00:00:00.020426 Performance: 315.065 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:23:15,590 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214600 21460 40.246 -39411 4411 -43822 -43822 -0.28089 0.4414 0.14678 1.0497e+05 2023-02-16 03:23:17,639 INFO [main.py:643]
{rank 0/100} MD step = 214700 step time: 00:00:00.020489 Performance: 315.061 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:18,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214700 21470 39.768 -39483 4358.6 -43842 -43842 -0.28123 0.44234 0.14712 1.05e+05 2023-02-16 03:23:20,337 INFO [main.py:643]
{rank 0/100} MD step = 214800 step time: 00:00:00.020474 Performance: 315.063 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:23:21,082 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214800 21480 39.953 -39471 4378.9 -43850 -43850 -0.28146 0.44273 0.14826 1.0504e+05 2023-02-16 03:23:23,112 INFO [main.py:643]
{rank 0/100} MD step = 214900 step time: 00:00:00.020470 Performance: 315.061 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:23,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214900 21490 40.124 -39356 4397.6 -43754 -43754 -0.28377 0.44239 0.14789 1.0511e+05 2023-02-16 03:23:25,947 INFO [main.py:643]
{rank 0/100} MD step = 215000 step time: 00:00:00.020518 Performance: 315.056 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:26,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215000 21500 39.975 -39486 4381.3 -43868 -43868 -0.28306 0.44223 0.14841 1.0515e+05 2023-02-16 03:23:28,648 INFO [main.py:643]
{rank 0/100} MD step = 215100 step time: 00:00:00.020558 Performance: 315.059 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:29,328 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215100 21510 40.008 -39373 4385 -43757 -43757 -0.28408 0.44268 0.14784 1.0519e+05 2023-02-16 03:23:31,360 INFO [main.py:643]
{rank 0/100} MD step = 215200 step time: 00:00:00.020465 Performance: 315.060 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:32,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215200 21520 40.171 -39434 4402.8 -43837 -43837 -0.2846 0.44254 0.14833 1.0525e+05 2023-02-16 03:23:34,116 INFO [main.py:643]
{rank 0/100} MD step = 215300 step time: 00:00:00.020309 Performance: 315.059 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:34,624 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215300 21530 40.459 -39373 4434.3 -43807 -43807 -0.28515 0.44271 0.14885 1.0531e+05 2023-02-16 03:23:36,837 INFO [main.py:643]
{rank 0/100} MD step = 215400 step time: 00:00:00.020483 Performance: 315.061 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:37,510 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215400 21540 39.531 -39461 4332.7 -43793 -43793 -0.28334 0.44375 0.14976 1.0534e+05 2023-02-16 03:23:39,556 INFO [main.py:643]
{rank 0/100} MD step = 215500 step time: 00:00:00.020521 Performance: 315.062 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:23:40,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215500 21550 39.682 -39443 4349.2 -43792 -43792 -0.28386 0.44316 0.15014 1.054e+05 2023-02-16 03:23:42,233 INFO [main.py:643]
{rank 0/100} MD step = 215600 step time: 00:00:00.020515 Performance: 315.065 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:23:42,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215600 21560 40.265 -39304 4413.1 -43717 -43717 -0.284 0.44291 0.14984 1.0547e+05 2023-02-16 03:23:44,928 INFO [main.py:643]
{rank 0/100} MD step = 215700 step time: 00:00:00.020440 Performance: 315.068 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:23:45,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215700 21570 39.675 -39482 4348.4 -43830 -43830 -0.28504 0.44237 0.14965 1.055e+05 2023-02-16 03:23:47,735 INFO [main.py:643]
{rank 0/100} MD step = 215800 step time: 00:00:00.020389 Performance: 315.064 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:23:48,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215800 21580 40.259 -39415 4412.5 -43827 -43827 -0.2856 0.44258 0.15016 1.0556e+05 2023-02-16 03:23:50,423 INFO [main.py:643]
{rank 0/100} MD step = 215900 step time: 00:00:00.020478 Performance: 315.067 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:23:50,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215900 21590 39.815 -39421 4363.8 -43785 -43785 -0.28522 0.44184 0.15043 1.0561e+05 2023-02-16 03:23:53,078 INFO [main.py:643]
{rank 0/100} MD step = 216000 step time: 00:00:00.020404 Performance: 315.072 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:23:53,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216000 21600 40.508 -39426 4439.7 -43865 -43865 -0.2858 0.44134 0.15071 1.0564e+05 2023-02-16 03:23:55,864 INFO [main.py:643]
{rank 0/100} MD step = 216100 step time: 00:00:00.020344 Performance: 315.070 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:23:56,519 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216100 21610 39.796 -39485 4361.7 -43847 -43847 -0.28604 0.44232 0.15147 1.0571e+05 2023-02-16 03:23:58,571 INFO [main.py:643]
{rank 0/100} MD step = 216200 step time: 00:00:00.020388 Performance: 315.071 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:23:59,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216200 21620 40.297 -39438 4416.6 -43855 -43855 -0.28708 0.44187 0.15165 1.0576e+05 2023-02-16 03:24:01,290 INFO [main.py:643]
{rank 0/100} MD step = 216300 step time: 00:00:00.020435 Performance: 315.073 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:24:01,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216300 21630 39.679 -39423 4348.8 -43772 -43772 -0.28795 0.44244 0.15228 1.058e+05 2023-02-16 03:24:04,048 INFO [main.py:643]
{rank 0/100} MD step = 216400 step time: 00:00:00.020475 Performance: 315.072 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:24:04,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216400 21640 40.437 -39410 4432 -43842 -43842 -0.28847 0.44181 0.1538 1.0585e+05 2023-02-16 03:24:06,760 INFO [main.py:643]
{rank 0/100} MD step = 216500 step time: 00:00:00.020458 Performance: 315.073 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:24:07,228 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216500 21650 39.535 -39500 4333.1 -43833 -43833 -0.2887 0.44168 0.1537 1.059e+05 2023-02-16 03:24:09,494 INFO [main.py:643]
{rank 0/100} MD step = 216600 step time: 00:00:00.020509 Performance: 315.074 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:24:09,937 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216600 21660 40.134 -39431 4398.7 -43829 -43829 -0.28728 0.44125 0.15407 1.0594e+05 2023-02-16 03:24:12,165 INFO [main.py:643]
{rank 0/100} MD step = 216700 step time: 00:00:00.020472 Performance: 315.078 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:24:12,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216700 21670 40.067 -39370 4391.4 -43762 -43762 -0.28709 0.44109 0.15465 1.0601e+05 2023-02-16 03:24:14,833 INFO [main.py:643]
{rank 0/100} MD step = 216800 step time: 00:00:00.020464 Performance: 315.082 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:15,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216800 21680 40.443 -39368 4432.6 -43801 -43801 -0.28756 0.44018 0.15458 1.0605e+05 2023-02-16 03:24:17,535 INFO [main.py:643]
{rank 0/100} MD step = 216900 step time: 00:00:00.020548 Performance: 315.084 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:17,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216900 21690 39.873 -39420 4370.2 -43790 -43790 -0.28817 0.43993 0.15483 1.0609e+05 2023-02-16 03:24:20,342 INFO [main.py:643]
{rank 0/100} MD step = 217000 step time: 00:00:00.020357 Performance: 315.080 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:20,958 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217000 21700 39.828 -39429 4365.2 -43794 -43794 -0.2889 0.44091 0.15522 1.0615e+05 2023-02-16 03:24:23,036 INFO [main.py:643]
{rank 0/100} MD step = 217100 step time: 00:00:00.020363 Performance: 315.083 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:23,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217100 21710 39.657 -39492 4346.5 -43839 -43839 -0.28882 0.44087 0.15596 1.0619e+05 2023-02-16 03:24:25,720 INFO [main.py:643]
{rank 0/100} MD step = 217200 step time: 00:00:00.020482 Performance: 315.086 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:26,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217200 21720 40.467 -39419 4435.3 -43854 -43854 -0.28954 0.44126 0.15589 1.0624e+05 2023-02-16 03:24:28,448 INFO [main.py:643]
{rank 0/100} MD step = 217300 step time: 00:00:00.020461 Performance: 315.087 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:29,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217300 21730 39.893 -39501 4372.3 -43873 -43873 -0.29014 0.44094 0.15628 1.063e+05 2023-02-16 03:24:31,219 INFO [main.py:643]
{rank 0/100} MD step = 217400 step time: 00:00:00.020570 Performance: 315.085 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:31,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217400 21740 39.523 -39510 4331.8 -43842 -43842 -0.29019 0.44143 0.15553 1.0636e+05 2023-02-16 03:24:33,921 INFO [main.py:643]
{rank 0/100} MD step = 217500 step time: 00:00:00.020475 Performance: 315.087 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:34,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217500 21750 40.209 -39476 4407 -43883 -43883 -0.29085 0.44212 0.15418 1.0639e+05 2023-02-16 03:24:36,630 INFO [main.py:643]
{rank 0/100} MD step = 217600 step time: 00:00:00.020343 Performance: 315.089 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:24:37,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217600 21760 39.665 -39499 4347.4 -43846 -43846 -0.29235 0.44281 0.15382 1.0647e+05 2023-02-16 03:24:39,417 INFO [main.py:643]
{rank 0/100} MD step = 217700 step time: 00:00:00.020408 Performance: 315.087 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:40,130 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217700 21770 40.453 -39410 4433.7 -43844 -43844 -0.29271 0.44345 0.15413 1.0651e+05 2023-02-16 03:24:42,167 INFO [main.py:643]
{rank 0/100} MD step = 217800 step time: 00:00:00.020292 Performance: 315.086 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:42,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217800 21780 39.526 -39444 4332.1 -43776 -43776 -0.29409 0.44321 0.15377 1.0656e+05 2023-02-16 03:24:44,887 INFO [main.py:643]
{rank 0/100} MD step = 217900 step time: 00:00:00.020396 Performance: 315.087 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:45,450 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217900 21790 40.128 -39465 4398.1 -43863 -43863 -0.2948 0.44305 0.15281 1.066e+05 2023-02-16 03:24:47,654 INFO [main.py:643]
{rank 0/100} MD step = 218000 step time: 00:00:00.020547 Performance: 315.086 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:24:48,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218000 21800 40.097 -39475 4394.7 -43869 -43869 -0.29476 0.44313 0.15308 1.0668e+05 2023-02-16 03:24:50,340 INFO [main.py:643]
{rank 0/100} MD step = 218100 step time: 00:00:00.020445 Performance: 315.089 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:24:50,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218100 21810 40.183 -39352 4404.1 -43756 -43756 -0.2951 0.44317 0.15255 1.0673e+05 2023-02-16 03:24:53,016 INFO [main.py:643]
{rank 0/100} MD step = 218200 step time: 00:00:00.020437 Performance: 315.093 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:24:53,667 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218200 21820 40.093 -39460 4394.3 -43855 -43855 -0.29568 0.44376 0.15224 1.0676e+05 2023-02-16 03:24:55,695 INFO [main.py:643]
{rank 0/100} MD step = 218300 step time: 00:00:00.020413 Performance: 315.096 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:24:56,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218300 21830 40.052 -39455 4389.8 -43845 -43845 -0.29685 0.4435 0.15244 1.0682e+05 2023-02-16 03:24:58,429 INFO [main.py:643]
{rank 0/100} MD step = 218400 step time: 00:00:00.020412 Performance: 315.096 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:24:58,962 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218400 21840 40.333 -39464 4420.6 -43884 -43884 -0.29543 0.44279 0.1529 1.0688e+05 2023-02-16 03:25:01,137 INFO [main.py:643]
{rank 0/100} MD step = 218500 step time: 00:00:00.020489 Performance: 315.098 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 03:25:01,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218500 21850 39.147 -39561 4290.5 -43851 -43851 -0.29598 0.44242 0.153 1.0691e+05 2023-02-16 03:25:03,826 INFO [main.py:643]
{rank 0/100} MD step = 218600 step time: 00:00:00.020500 Performance: 315.101 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 03:25:04,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218600 21860 39.775 -39481 4359.4 -43841 -43841 -0.29484 0.44285 0.1529 1.0697e+05 2023-02-16 03:25:06,510 INFO [main.py:643]
{rank 0/100} MD step = 218700 step time: 00:00:00.020357 Performance: 315.104 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 03:25:07,171 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218700 21870 39.681 -39457 4349.1 -43806 -43806 -0.29359 0.44278 0.15334 1.0701e+05 2023-02-16 03:25:09,214 INFO [main.py:643]
{rank 0/100} MD step = 218800 step time: 00:00:00.020420 Performance: 315.106 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:25:09,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218800 21880 39.911 -39399 4374.3 -43773 -43773 -0.29562 0.4432 0.15368 1.0706e+05 2023-02-16 03:25:11,922 INFO [main.py:643]
{rank 0/100} MD step = 218900 step time: 00:00:00.020386 Performance: 315.108 ns/day 0.076 hours/ns 36.471 steps/s 2023-02-16 03:25:12,508 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218900 21890 39.588 -39490 4338.9 -43829 -43829 -0.29657 0.44318 0.15416 1.071e+05 2023-02-16 03:25:14,803 INFO [main.py:643]
{rank 0/100} MD step = 219000 step time: 00:00:00.020613 Performance: 315.100 ns/day 0.076 hours/ns 36.470 steps/s 2023-02-16 03:25:15,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219000 21900 39.726 -39415 4354.1 -43769 -43769 -0.29904 0.44277 0.1554 1.0714e+05 2023-02-16 03:25:18,059 INFO [main.py:643]
{rank 0/100} MD step = 219100 step time: 00:00:00.020623 Performance: 315.073 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:25:18,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219100 21910 40.341 -39371 4421.4 -43793 -43793 -0.30065 0.44294 0.15584 1.072e+05 2023-02-16 03:25:20,793 INFO [main.py:643]
{rank 0/100} MD step = 219200 step time: 00:00:00.020481 Performance: 315.074 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:25:21,470 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219200 21920 39.619 -39498 4342.3 -43840 -43840 -0.30085 0.44243 0.15509 1.0727e+05 2023-02-16 03:25:23,500 INFO [main.py:643]
{rank 0/100} MD step = 219300 step time: 00:00:00.020532 Performance: 315.076 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:25:24,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219300 21930 40.333 -39446 4420.6 -43867 -43867 -0.3019 0.44387 0.15494 1.073e+05 2023-02-16 03:25:26,168 INFO [main.py:643]
{rank 0/100} MD step = 219400 step time: 00:00:00.020517 Performance: 315.080 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:25:26,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219400 21940 39.609 -39557 4341.2 -43898 -43898 -0.30183 0.445 0.15556 1.0735e+05 2023-02-16 03:25:28,850 INFO [main.py:643]
{rank 0/100} MD step = 219500 step time: 00:00:00.020356 Performance: 315.083 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:25:29,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219500 21950 40.216 -39314 4407.7 -43722 -43722 -0.30129 0.44517 0.15517 1.0741e+05 2023-02-16 03:25:31,516 INFO [main.py:643]
{rank 0/100} MD step = 219600 step time: 00:00:00.020921 Performance: 315.087 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:25:32,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219600 21960 40.014 -39399 4385.6 -43785 -43785 -0.30108 0.44597 0.15471 1.0746e+05 2023-02-16 03:25:34,208 INFO [main.py:643]
{rank 0/100} MD step = 219700 step time: 00:00:00.020456 Performance: 315.089 ns/day 0.076 hours/ns 36.469 steps/s 2023-02-16 03:25:34,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219700 21970 39.315 -39513 4309 -43822 -43822 -0.30047 0.44663 0.15637 1.075e+05 2023-02-16 03:25:37,115 INFO [main.py:643]
{rank 0/100} MD step = 219800 step time: 00:00:00.020496 Performance: 315.081 ns/day 0.076 hours/ns 36.468 steps/s 2023-02-16 03:25:37,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219800 21980 40.268 -39431 4413.4 -43844 -43844 -0.30147 0.44643 0.15559 1.0755e+05 2023-02-16 03:25:39,916 INFO [main.py:643]
{rank 0/100} MD step = 219900 step time: 00:00:00.020437 Performance: 315.078 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:25:40,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219900 21990 38.841 -39514 4257 -43771 -43771 -0.30114 0.44675 0.15456 1.0762e+05 2023-02-16 03:25:42,742 INFO [main.py:643]
{rank 0/100} MD step = 220000 step time: 00:00:00.020434 Performance: 315.073 ns/day 0.076 hours/ns 36.467 steps/s 2023-02-16 03:25:43,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220000 22000 39.87 -39445 4369.8 -43815 -43815 -0.29878 0.44648 0.15555 1.0766e+05 2023-02-16 03:25:45,643 INFO [main.py:643]
{rank 0/100} MD step = 220100 step time: 00:00:00.020473 Performance: 315.065 ns/day 0.076 hours/ns 36.466 steps/s 2023-02-16 03:25:46,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220100 22010 39.161 -39565 4292.1 -43857 -43857 -0.29978 0.44627 0.15617 1.0772e+05 2023-02-16 03:25:48,543 INFO [main.py:643]
{rank 0/100} MD step = 220200 step time: 00:00:00.020545 Performance: 315.057 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:25:49,104 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220200 22020 39.933 -39461 4376.7 -43838 -43838 -0.2996 0.44683 0.15692 1.0777e+05 2023-02-16 03:25:51,289 INFO [main.py:643]
{rank 0/100} MD step = 220300 step time: 00:00:00.020576 Performance: 315.056 ns/day 0.076 hours/ns 36.465 steps/s 2023-02-16 03:25:51,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220300 22030 39.839 -39498 4366.4 -43864 -43864 -0.30095 0.44743 0.15654 1.0783e+05 2023-02-16 03:25:54,135 INFO [main.py:643]
{rank 0/100} MD step = 220400 step time: 00:00:00.020313 Performance: 315.051 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:25:54,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220400 22040 39.911 -39518 4374.3 -43892 -43892 -0.29956 0.4475 0.15786 1.0788e+05 2023-02-16 03:25:56,915 INFO [main.py:643]
{rank 0/100} MD step = 220500 step time: 00:00:00.020619 Performance: 315.049 ns/day 0.076 hours/ns 36.464 steps/s 2023-02-16 03:25:57,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220500 22050 40.078 -39478 4392.6 -43871 -43871 -0.29884 0.44803 0.15815 1.0792e+05 2023-02-16 03:25:59,782 INFO [main.py:643]
{rank 0/100} MD step = 220600 step time: 00:00:00.020510 Performance: 315.043 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:26:00,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220600 22060 40.144 -39434 4399.8 -43834 -43834 -0.29965 0.44854 0.1588 1.0798e+05 2023-02-16 03:26:02,562 INFO [main.py:643]
{rank 0/100} MD step = 220700 step time: 00:00:00.020545 Performance: 315.041 ns/day 0.076 hours/ns 36.463 steps/s 2023-02-16 03:26:04,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220700 22070 40.221 -39401 4408.2 -43809 -43809 -0.29991 0.44904 0.15925 1.0803e+05 2023-02-16 03:26:06,891 INFO [main.py:643]
{rank 0/100} MD step = 220800 step time: 00:00:00.020442 Performance: 314.958 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:26:07,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220800 22080 39.558 -39542 4335.6 -43878 -43878 -0.29972 0.44915 0.15809 1.0805e+05 2023-02-16 03:26:09,703 INFO [main.py:643]
{rank 0/100} MD step = 220900 step time: 00:00:00.020390 Performance: 314.955 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:26:10,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220900 22090 39.689 -39462 4350 -43812 -43812 -0.29872 0.45014 0.1577 1.0813e+05 2023-02-16 03:26:12,474 INFO [main.py:643]
{rank 0/100} MD step = 221000 step time: 00:00:00.020593 Performance: 314.953 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:26:13,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221000 22100 40.574 -39412 4447 -43859 -43859 -0.30025 0.45129 0.15698 1.0817e+05 2023-02-16 03:26:15,319 INFO [main.py:643]
{rank 0/100} MD step = 221100 step time: 00:00:00.020450 Performance: 314.948 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:26:17,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221100 22110 39.866 -39486 4369.3 -43855 -43855 -0.30115 0.45244 0.15721 1.0822e+05 2023-02-16 03:26:19,859 INFO [main.py:643]
{rank 0/100} MD step = 221200 step time: 00:00:00.020337 Performance: 314.855 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:26:20,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221200 22120 39.713 -39474 4352.6 -43827 -43827 -0.30005 0.45316 0.15707 1.0828e+05 2023-02-16 03:26:22,610 INFO [main.py:643]
{rank 0/100} MD step = 221300 step time: 00:00:00.020503 Performance: 314.854 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:26:23,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221300 22130 39.623 -39522 4342.7 -43864 -43864 -0.30073 0.45363 0.15685 1.0831e+05 2023-02-16 03:26:25,287 INFO [main.py:643]
{rank 0/100} MD step = 221400 step time: 00:00:00.020499 Performance: 314.858 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:26:25,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221400 22140 39.566 -39528 4336.5 -43864 -43864 -0.30192 0.45424 0.15678 1.0837e+05 2023-02-16 03:26:27,999 INFO [main.py:643]
{rank 0/100} MD step = 221500 step time: 00:00:00.020461 Performance: 314.859 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:26:28,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221500 22150 40.032 -39458 4387.6 -43846 -43846 -0.30376 0.45416 0.15726 1.0841e+05 2023-02-16 03:26:30,655 INFO [main.py:643]
{rank 0/100} MD step = 221600 step time: 00:00:00.020543 Performance: 314.864 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:26:31,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221600 22160 40.039 -39415 4388.3 -43803 -43803 -0.30355 0.45387 0.15747 1.0846e+05 2023-02-16 03:26:33,439 INFO [main.py:643]
{rank 0/100} MD step = 221700 step time: 00:00:00.020421 Performance: 314.862 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:26:34,055 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221700 22170 39.534 -39506 4333 -43838 -43838 -0.30398 0.45296 0.15685 1.0851e+05 2023-02-16 03:26:36,146 INFO [main.py:643]
{rank 0/100} MD step = 221800 step time: 00:00:00.020548 Performance: 314.864 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:26:36,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221800 22180 39.833 -39377 4365.7 -43743 -43743 -0.30339 0.45354 0.15692 1.0856e+05 2023-02-16 03:26:38,877 INFO [main.py:643]
{rank 0/100} MD step = 221900 step time: 00:00:00.020382 Performance: 314.865 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:26:39,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221900 22190 40.414 -39322 4429.5 -43751 -43751 -0.30333 0.45313 0.15679 1.0862e+05 2023-02-16 03:26:41,620 INFO [main.py:643]
{rank 0/100} MD step = 222000 step time: 00:00:00.020495 Performance: 314.865 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:26:42,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222000 22200 40.125 -39381 4397.7 -43779 -43779 -0.30229 0.45275 0.15628 1.0867e+05 2023-02-16 03:26:44,346 INFO [main.py:643]
{rank 0/100} MD step = 222100 step time: 00:00:00.020464 Performance: 314.866 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:26:44,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222100 22210 40.301 -39459 4417.1 -43876 -43876 -0.30194 0.45258 0.15608 1.0872e+05 2023-02-16 03:26:47,018 INFO [main.py:643]
{rank 0/100} MD step = 222200 step time: 00:00:00.020509 Performance: 314.869 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:26:47,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222200 22220 40.087 -39371 4393.6 -43765 -43765 -0.30236 0.45294 0.15497 1.0876e+05 2023-02-16 03:26:49,957 INFO [main.py:643]
{rank 0/100} MD step = 222300 step time: 00:00:00.020347 Performance: 314.859 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:26:50,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222300 22230 39.749 -39481 4356.5 -43837 -43837 -0.30324 0.45323 0.15547 1.0882e+05 2023-02-16 03:26:52,756 INFO [main.py:643]
{rank 0/100} MD step = 222400 step time: 00:00:00.020377 Performance: 314.856 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:26:53,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222400 22240 40.194 -39482 4405.3 -43887 -43887 -0.30378 0.45364 0.15514 1.0887e+05 2023-02-16 03:26:55,705 INFO [main.py:643]
{rank 0/100} MD step = 222500 step time: 00:00:00.020365 Performance: 314.846 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:26:56,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222500 22250 40.425 -39473 4430.6 -43904 -43904 -0.30512 0.45445 0.15527 1.0892e+05 2023-02-16 03:26:58,580 INFO [main.py:643]
{rank 0/100} MD step = 222600 step time: 00:00:00.020501 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:26:59,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222600 22260 40.173 -39442 4403 -43845 -43845 -0.30566 0.45497 0.15567 1.0895e+05 2023-02-16 03:27:01,445 INFO [main.py:643]
{rank 0/100} MD step = 222700 step time: 00:00:00.020603 Performance: 314.833 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:27:01,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222700 22270 40.546 -39401 4443.9 -43845 -43845 -0.3068 0.45544 0.15592 1.0901e+05 2023-02-16 03:27:04,106 INFO [main.py:643]
{rank 0/100} MD step = 222800 step time: 00:00:00.020449 Performance: 314.837 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:27:04,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222800 22280 40.136 -39442 4399 -43841 -43841 -0.30731 0.45559 0.15545 1.0905e+05 2023-02-16 03:27:06,819 INFO [main.py:643]
{rank 0/100} MD step = 222900 step time: 00:00:00.020650 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:27:07,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222900 22290 40.027 -39448 4387 -43835 -43835 -0.30894 0.45477 0.15595 1.0909e+05 2023-02-16 03:27:09,504 INFO [main.py:643]
{rank 0/100} MD step = 223000 step time: 00:00:00.020439 Performance: 314.842 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:27:10,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223000 22300 40.059 -39509 4390.5 -43900 -43900 -0.30911 0.45524 0.15538 1.0913e+05 2023-02-16 03:27:12,241 INFO [main.py:643]
{rank 0/100} MD step = 223100 step time: 00:00:00.020555 Performance: 314.842 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:27:12,866 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223100 22310 39.756 -39530 4357.3 -43887 -43887 -0.30979 0.45639 0.15536 1.0918e+05 2023-02-16 03:27:14,924 INFO [main.py:643]
{rank 0/100} MD step = 223200 step time: 00:00:00.020451 Performance: 314.845 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:27:15,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223200 22320 39.538 -39533 4333.4 -43867 -43867 -0.30969 0.45575 0.15605 1.0924e+05 2023-02-16 03:27:17,739 INFO [main.py:643]
{rank 0/100} MD step = 223300 step time: 00:00:00.020390 Performance: 314.842 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:27:18,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223300 22330 39.936 -39490 4377.1 -43867 -43867 -0.30916 0.45635 0.15685 1.0927e+05 2023-02-16 03:27:20,463 INFO [main.py:643]
{rank 0/100} MD step = 223400 step time: 00:00:00.020487 Performance: 314.843 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:27:20,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223400 22340 39.627 -39522 4343.2 -43865 -43865 -0.31007 0.45734 0.15685 1.0933e+05 2023-02-16 03:27:23,172 INFO [main.py:643]
{rank 0/100} MD step = 223500 step time: 00:00:00.020416 Performance: 314.844 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:27:23,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223500 22350 39.867 -39488 4369.4 -43858 -43858 -0.31048 0.45708 0.15567 1.0939e+05 2023-02-16 03:27:25,870 INFO [main.py:643]
{rank 0/100} MD step = 223600 step time: 00:00:00.020467 Performance: 314.847 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:27:26,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223600 22360 39.318 -39498 4309.3 -43808 -43808 -0.311 0.45691 0.15613 1.0944e+05 2023-02-16 03:27:28,679 INFO [main.py:643]
{rank 0/100} MD step = 223700 step time: 00:00:00.020412 Performance: 314.844 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:27:29,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223700 22370 39.722 -39474 4353.6 -43827 -43827 -0.31158 0.45692 0.1556 1.0951e+05 2023-02-16 03:27:31,348 INFO [main.py:643]
{rank 0/100} MD step = 223800 step time: 00:00:00.020413 Performance: 314.847 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:27:31,921 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223800 22380 39.875 -39551 4370.4 -43921 -43921 -0.31218 0.45713 0.15503 1.0956e+05 2023-02-16 03:27:34,068 INFO [main.py:643]
{rank 0/100} MD step = 223900 step time: 00:00:00.020442 Performance: 314.849 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:27:34,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223900 22390 40.274 -39449 4414.1 -43863 -43863 -0.31364 0.45645 0.15527 1.0961e+05 2023-02-16 03:27:36,777 INFO [main.py:643]
{rank 0/100} MD step = 224000 step time: 00:00:00.020473 Performance: 314.850 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:27:37,143 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224000 22400 40.371 -39377 4424.7 -43802 -43802 -0.31423 0.45606 0.15512 1.0967e+05 2023-02-16 03:27:39,455 INFO [main.py:643]
{rank 0/100} MD step = 224100 step time: 00:00:00.020409 Performance: 314.854 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:27:39,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224100 22410 38.951 -39620 4269.1 -43889 -43889 -0.31526 0.45656 0.15568 1.0969e+05 2023-02-16 03:27:42,115 INFO [main.py:643]
{rank 0/100} MD step = 224200 step time: 00:00:00.020352 Performance: 314.858 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:27:42,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224200 22420 40.201 -39461 4406.1 -43868 -43868 -0.31524 0.45651 0.15509 1.0975e+05 2023-02-16 03:27:44,810 INFO [main.py:643]
{rank 0/100} MD step = 224300 step time: 00:00:00.020549 Performance: 314.861 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:27:45,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224300 22430 39.595 -39496 4339.6 -43836 -43836 -0.31607 0.45629 0.15616 1.0981e+05 2023-02-16 03:27:47,534 INFO [main.py:643]
{rank 0/100} MD step = 224400 step time: 00:00:00.020486 Performance: 314.862 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:27:48,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224400 22440 40.486 -39397 4437.3 -43835 -43835 -0.31434 0.45586 0.1561 1.0986e+05 2023-02-16 03:27:50,236 INFO [main.py:643]
{rank 0/100} MD step = 224500 step time: 00:00:00.020470 Performance: 314.864 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:27:50,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224500 22450 39.865 -39426 4369.2 -43796 -43796 -0.31197 0.45611 0.15628 1.0991e+05 2023-02-16 03:27:52,916 INFO [main.py:643]
{rank 0/100} MD step = 224600 step time: 00:00:00.020470 Performance: 314.867 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:27:53,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224600 22460 39.705 -39500 4351.7 -43852 -43852 -0.31255 0.45533 0.15676 1.0996e+05 2023-02-16 03:27:55,620 INFO [main.py:643]
{rank 0/100} MD step = 224700 step time: 00:00:00.020399 Performance: 314.869 ns/day 0.076 hours/ns 36.443 steps/s 2023-02-16 03:27:55,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224700 22470 39.942 -39450 4377.7 -43827 -43827 -0.31243 0.45504 0.15755 1.1001e+05 2023-02-16 03:27:58,299 INFO [main.py:643]
{rank 0/100} MD step = 224800 step time: 00:00:00.021751 Performance: 314.872 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:27:58,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224800 22480 40.021 -39450 4386.3 -43836 -43836 -0.3129 0.45523 0.15785 1.1006e+05 2023-02-16 03:28:01,012 INFO [main.py:643]
{rank 0/100} MD step = 224900 step time: 00:00:00.020434 Performance: 314.874 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:01,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224900 22490 40.266 -39383 4413.2 -43796 -43796 -0.31467 0.45504 0.15742 1.1011e+05 2023-02-16 03:28:03,693 INFO [main.py:643]
{rank 0/100} MD step = 225000 step time: 00:00:00.020486 Performance: 314.877 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:04,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225000 22500 39.756 -39475 4357.4 -43833 -43833 -0.31571 0.4552 0.15702 1.1015e+05 2023-02-16 03:28:06,458 INFO [main.py:643]
{rank 0/100} MD step = 225100 step time: 00:00:00.020641 Performance: 314.876 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:07,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225100 22510 40.065 -39522 4391.2 -43913 -43913 -0.31575 0.45587 0.15711 1.1021e+05 2023-02-16 03:28:09,162 INFO [main.py:643]
{rank 0/100} MD step = 225200 step time: 00:00:00.020533 Performance: 314.878 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:09,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225200 22520 39.435 -39456 4322.1 -43778 -43778 -0.31701 0.45595 0.15718 1.1026e+05 2023-02-16 03:28:11,917 INFO [main.py:643]
{rank 0/100} MD step = 225300 step time: 00:00:00.020455 Performance: 314.878 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:12,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225300 22530 39.622 -39586 4342.7 -43929 -43929 -0.31845 0.45575 0.15689 1.103e+05 2023-02-16 03:28:14,620 INFO [main.py:643]
{rank 0/100} MD step = 225400 step time: 00:00:00.020528 Performance: 314.880 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:15,341 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225400 22540 40.139 -39400 4399.3 -43799 -43799 -0.31888 0.45595 0.15629 1.1036e+05 2023-02-16 03:28:17,418 INFO [main.py:643]
{rank 0/100} MD step = 225500 step time: 00:00:00.020496 Performance: 314.877 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:18,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225500 22550 40.001 -39403 4384.1 -43787 -43787 -0.31854 0.45633 0.15548 1.104e+05 2023-02-16 03:28:20,138 INFO [main.py:643]
{rank 0/100} MD step = 225600 step time: 00:00:00.020424 Performance: 314.878 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:20,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225600 22560 39.955 -39522 4379.1 -43901 -43901 -0.31877 0.4569 0.15576 1.1045e+05 2023-02-16 03:28:22,894 INFO [main.py:643]
{rank 0/100} MD step = 225700 step time: 00:00:00.020326 Performance: 314.878 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:23,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225700 22570 40.486 -39411 4437.3 -43849 -43849 -0.31886 0.45676 0.15582 1.105e+05 2023-02-16 03:28:25,593 INFO [main.py:643]
{rank 0/100} MD step = 225800 step time: 00:00:00.020527 Performance: 314.880 ns/day 0.076 hours/ns 36.444 steps/s 2023-02-16 03:28:26,227 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225800 22580 39.892 -39548 4372.2 -43920 -43920 -0.31807 0.4566 0.15568 1.1054e+05 2023-02-16 03:28:28,319 INFO [main.py:643]
{rank 0/100} MD step = 225900 step time: 00:00:00.021774 Performance: 314.881 ns/day 0.076 hours/ns 36.445 steps/s 2023-02-16 03:28:28,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225900 22590 40.043 -39583 4388.8 -43972 -43972 -0.31652 0.45711 0.15673 1.1059e+05 2023-02-16 03:28:30,980 INFO [main.py:643]
{rank 0/100} MD step = 226000 step time: 00:00:00.020471 Performance: 314.885 ns/day 0.076 hours/ns 36.445 steps/s 2023-02-16 03:28:31,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226000 22600 40.093 -39464 4394.3 -43858 -43858 -0.3149 0.45692 0.1577 1.1064e+05 2023-02-16 03:28:33,686 INFO [main.py:643]
{rank 0/100} MD step = 226100 step time: 00:00:00.020511 Performance: 314.887 ns/day 0.076 hours/ns 36.445 steps/s 2023-02-16 03:28:34,208 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226100 22610 40.396 -39493 4427.4 -43921 -43921 -0.31291 0.45754 0.1579 1.107e+05 2023-02-16 03:28:36,354 INFO [main.py:643]
{rank 0/100} MD step = 226200 step time: 00:00:00.020397 Performance: 314.891 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:28:36,951 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226200 22620 40.28 -39395 4414.8 -43809 -43809 -0.3115 0.45857 0.15748 1.1074e+05 2023-02-16 03:28:39,082 INFO [main.py:643]
{rank 0/100} MD step = 226300 step time: 00:00:00.020572 Performance: 314.892 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:28:39,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226300 22630 40.105 -39451 4395.5 -43846 -43846 -0.31135 0.45798 0.15708 1.1078e+05 2023-02-16 03:28:41,770 INFO [main.py:643]
{rank 0/100} MD step = 226400 step time: 00:00:00.020404 Performance: 314.894 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:28:42,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226400 22640 39.464 -39493 4325.3 -43818 -43818 -0.31167 0.45782 0.15736 1.1084e+05 2023-02-16 03:28:44,502 INFO [main.py:643]
{rank 0/100} MD step = 226500 step time: 00:00:00.020530 Performance: 314.895 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:28:45,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226500 22650 40.004 -39433 4384.5 -43817 -43817 -0.31073 0.4582 0.15715 1.1087e+05 2023-02-16 03:28:47,270 INFO [main.py:643]
{rank 0/100} MD step = 226600 step time: 00:00:00.020509 Performance: 314.894 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:28:47,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226600 22660 40.084 -39420 4393.3 -43814 -43814 -0.31145 0.45787 0.15784 1.1094e+05 2023-02-16 03:28:49,998 INFO [main.py:643]
{rank 0/100} MD step = 226700 step time: 00:00:00.020479 Performance: 314.895 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:28:50,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226700 22670 40.583 -39429 4448 -43877 -43877 -0.31128 0.458 0.15822 1.1099e+05 2023-02-16 03:28:52,636 INFO [main.py:643]
{rank 0/100} MD step = 226800 step time: 00:00:00.020446 Performance: 314.900 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:28:53,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226800 22680 39.591 -39356 4339.2 -43695 -43695 -0.31125 0.4582 0.15832 1.1104e+05 2023-02-16 03:28:55,343 INFO [main.py:643]
{rank 0/100} MD step = 226900 step time: 00:00:00.020562 Performance: 314.902 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:28:56,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226900 22690 40.136 -39480 4399 -43879 -43879 -0.31067 0.45827 0.15714 1.1108e+05 2023-02-16 03:28:58,189 INFO [main.py:643]
{rank 0/100} MD step = 227000 step time: 00:00:00.027789 Performance: 314.897 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:28:58,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227000 22700 40.149 -39384 4400.4 -43785 -43785 -0.30964 0.45844 0.15717 1.1113e+05 2023-02-16 03:29:00,852 INFO [main.py:643]
{rank 0/100} MD step = 227100 step time: 00:00:00.020599 Performance: 314.901 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:01,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227100 22710 39.589 -39505 4339 -43844 -43844 -0.30974 0.45997 0.15708 1.1119e+05 2023-02-16 03:29:03,552 INFO [main.py:643]
{rank 0/100} MD step = 227200 step time: 00:00:00.020445 Performance: 314.903 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:04,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227200 22720 39.771 -39485 4359 -43844 -43844 -0.31007 0.46048 0.15732 1.1123e+05 2023-02-16 03:29:06,289 INFO [main.py:643]
{rank 0/100} MD step = 227300 step time: 00:00:00.020558 Performance: 314.903 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:06,938 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227300 22730 39.248 -39532 4301.6 -43834 -43834 -0.30937 0.46155 0.15818 1.1127e+05 2023-02-16 03:29:08,988 INFO [main.py:643]
{rank 0/100} MD step = 227400 step time: 00:00:00.020322 Performance: 314.905 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:09,414 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227400 22740 40.019 -39394 4386.2 -43780 -43780 -0.30907 0.46142 0.15837 1.1132e+05 2023-02-16 03:29:11,731 INFO [main.py:643]
{rank 0/100} MD step = 227500 step time: 00:00:00.020416 Performance: 314.905 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:12,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227500 22750 40.525 -39306 4441.5 -43748 -43748 -0.30867 0.46128 0.15858 1.1138e+05 2023-02-16 03:29:14,516 INFO [main.py:643]
{rank 0/100} MD step = 227600 step time: 00:00:00.020564 Performance: 314.903 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:15,270 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227600 22760 39.835 -39448 4366 -43814 -43814 -0.30831 0.46031 0.15856 1.1141e+05 2023-02-16 03:29:17,407 INFO [main.py:643]
{rank 0/100} MD step = 227700 step time: 00:00:00.021045 Performance: 314.896 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:29:17,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227700 22770 39.621 -39387 4342.5 -43730 -43730 -0.30821 0.46076 0.15807 1.1146e+05 2023-02-16 03:29:20,078 INFO [main.py:643]
{rank 0/100} MD step = 227800 step time: 00:00:00.020587 Performance: 314.900 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:20,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227800 22780 40.108 -39443 4395.8 -43839 -43839 -0.30743 0.4602 0.15747 1.115e+05 2023-02-16 03:29:22,871 INFO [main.py:643]
{rank 0/100} MD step = 227900 step time: 00:00:00.020409 Performance: 314.897 ns/day 0.076 hours/ns 36.446 steps/s 2023-02-16 03:29:23,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227900 22790 39.978 -39520 4381.6 -43902 -43902 -0.30745 0.4597 0.15652 1.1155e+05 2023-02-16 03:29:25,527 INFO [main.py:643]
{rank 0/100} MD step = 228000 step time: 00:00:00.020381 Performance: 314.902 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:26,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228000 22800 40.149 -39457 4400.4 -43858 -43858 -0.30663 0.46006 0.15639 1.1159e+05 2023-02-16 03:29:28,297 INFO [main.py:643]
{rank 0/100} MD step = 228100 step time: 00:00:00.021742 Performance: 314.900 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:28,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228100 22810 40.27 -39400 4413.6 -43814 -43814 -0.30942 0.46014 0.15669 1.1166e+05 2023-02-16 03:29:31,001 INFO [main.py:643]
{rank 0/100} MD step = 228200 step time: 00:00:00.020525 Performance: 314.902 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:31,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228200 22820 39.866 -39524 4369.3 -43893 -43893 -0.30992 0.46044 0.15659 1.117e+05 2023-02-16 03:29:33,685 INFO [main.py:643]
{rank 0/100} MD step = 228300 step time: 00:00:00.020462 Performance: 314.905 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:34,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228300 22830 40.538 -39362 4443 -43805 -43805 -0.3095 0.46031 0.15653 1.1175e+05 2023-02-16 03:29:36,386 INFO [main.py:643]
{rank 0/100} MD step = 228400 step time: 00:00:00.020539 Performance: 314.907 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:29:36,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228400 22840 39.433 -39448 4322 -43769 -43769 -0.30939 0.46021 0.15734 1.118e+05 2023-02-16 03:29:39,164 INFO [main.py:643]
{rank 0/100} MD step = 228500 step time: 00:00:00.020819 Performance: 314.906 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:39,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228500 22850 40.428 -39386 4431 -43817 -43817 -0.30893 0.46052 0.15744 1.1186e+05 2023-02-16 03:29:41,894 INFO [main.py:643]
{rank 0/100} MD step = 228600 step time: 00:00:00.020415 Performance: 314.906 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:42,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228600 22860 39.679 -39473 4348.8 -43822 -43822 -0.30905 0.46017 0.15839 1.1191e+05 2023-02-16 03:29:44,625 INFO [main.py:643]
{rank 0/100} MD step = 228700 step time: 00:00:00.020458 Performance: 314.907 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:29:45,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228700 22870 40.363 -39462 4423.8 -43885 -43885 -0.30832 0.46093 0.15875 1.1195e+05 2023-02-16 03:29:47,399 INFO [main.py:643]
{rank 0/100} MD step = 228800 step time: 00:00:00.020454 Performance: 314.905 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:29:47,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228800 22880 39.623 -39524 4342.8 -43867 -43867 -0.30834 0.46105 0.15957 1.12e+05 2023-02-16 03:29:50,117 INFO [main.py:643]
{rank 0/100} MD step = 228900 step time: 00:00:00.020586 Performance: 314.907 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:29:50,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228900 22890 39.549 -39480 4334.6 -43815 -43815 -0.30962 0.46177 0.15989 1.1205e+05 2023-02-16 03:29:52,809 INFO [main.py:643]
{rank 0/100} MD step = 229000 step time: 00:00:00.020519 Performance: 314.909 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:29:53,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229000 22900 40.863 -39443 4478.7 -43921 -43921 -0.30897 0.46184 0.16097 1.1211e+05 2023-02-16 03:29:55,454 INFO [main.py:643]
{rank 0/100} MD step = 229100 step time: 00:00:00.020447 Performance: 314.914 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:29:55,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229100 22910 39.872 -39461 4370 -43831 -43831 -0.30971 0.46097 0.16026 1.1215e+05 2023-02-16 03:29:58,152 INFO [main.py:643]
{rank 0/100} MD step = 229200 step time: 00:00:00.020350 Performance: 314.917 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:29:58,883 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229200 22920 40.211 -39463 4407.1 -43870 -43870 -0.31034 0.4598 0.16066 1.122e+05 2023-02-16 03:30:00,932 INFO [main.py:643]
{rank 0/100} MD step = 229300 step time: 00:00:00.020390 Performance: 314.915 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:01,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229300 22930 39.712 -39522 4352.5 -43874 -43874 -0.30994 0.45964 0.16065 1.1225e+05 2023-02-16 03:30:03,603 INFO [main.py:643]
{rank 0/100} MD step = 229400 step time: 00:00:00.020548 Performance: 314.918 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:30:04,486 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229400 22940 39.438 -39421 4322.5 -43744 -43744 -0.30846 0.46027 0.1614 1.123e+05 2023-02-16 03:30:06,541 INFO [main.py:643]
{rank 0/100} MD step = 229500 step time: 00:00:00.020390 Performance: 314.909 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:07,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229500 22950 39.539 -39574 4333.5 -43908 -43908 -0.30883 0.4598 0.16152 1.1235e+05 2023-02-16 03:30:09,276 INFO [main.py:643]
{rank 0/100} MD step = 229600 step time: 00:00:00.020457 Performance: 314.909 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:09,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229600 22960 39.768 -39499 4358.6 -43858 -43858 -0.30927 0.46095 0.16231 1.124e+05 2023-02-16 03:30:11,976 INFO [main.py:643]
{rank 0/100} MD step = 229700 step time: 00:00:00.020595 Performance: 314.911 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:12,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229700 22970 39.862 -39488 4368.9 -43857 -43857 -0.30882 0.46058 0.16302 1.1244e+05 2023-02-16 03:30:14,835 INFO [main.py:643]
{rank 0/100} MD step = 229800 step time: 00:00:00.020437 Performance: 314.906 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:30:15,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229800 22980 39.974 -39373 4381.2 -43754 -43754 -0.30974 0.46214 0.16365 1.125e+05 2023-02-16 03:30:17,557 INFO [main.py:643]
{rank 0/100} MD step = 229900 step time: 00:00:00.020449 Performance: 314.907 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:17,967 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229900 22990 40.142 -39493 4399.6 -43893 -43893 -0.3102 0.46208 0.1632 1.1255e+05 2023-02-16 03:30:20,307 INFO [main.py:643]
{rank 0/100} MD step = 230000 step time: 00:00:00.020714 Performance: 314.906 ns/day 0.076 hours/ns 36.447 steps/s 2023-02-16 03:30:20,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230000 23000 39.795 -39458 4361.6 -43820 -43820 -0.31065 0.46147 0.16466 1.126e+05 2023-02-16 03:30:22,979 INFO [main.py:643]
{rank 0/100} MD step = 230100 step time: 00:00:00.020661 Performance: 314.910 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:23,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230100 23010 40.82 -39395 4473.9 -43869 -43869 -0.31299 0.46067 0.16459 1.1263e+05 2023-02-16 03:30:25,692 INFO [main.py:643]
{rank 0/100} MD step = 230200 step time: 00:00:00.020403 Performance: 314.911 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:26,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230200 23020 39.671 -39540 4348 -43888 -43888 -0.31317 0.46126 0.16496 1.1268e+05 2023-02-16 03:30:28,526 INFO [main.py:643]
{rank 0/100} MD step = 230300 step time: 00:00:00.020594 Performance: 314.907 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:29,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230300 23030 40.277 -39354 4414.4 -43768 -43768 -0.31539 0.46139 0.16468 1.1272e+05 2023-02-16 03:30:31,245 INFO [main.py:643]
{rank 0/100} MD step = 230400 step time: 00:00:00.020422 Performance: 314.908 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:31,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230400 23040 39.519 -39528 4331.3 -43859 -43859 -0.31679 0.46185 0.16433 1.1278e+05 2023-02-16 03:30:33,943 INFO [main.py:643]
{rank 0/100} MD step = 230500 step time: 00:00:00.020430 Performance: 314.910 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:34,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230500 23050 39.982 -39469 4382.1 -43852 -43852 -0.31716 0.46267 0.16324 1.1283e+05 2023-02-16 03:30:36,701 INFO [main.py:643]
{rank 0/100} MD step = 230600 step time: 00:00:00.020504 Performance: 314.910 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:37,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230600 23060 39.792 -39481 4361.3 -43843 -43843 -0.31698 0.46357 0.16325 1.1286e+05 2023-02-16 03:30:39,470 INFO [main.py:643]
{rank 0/100} MD step = 230700 step time: 00:00:00.020522 Performance: 314.908 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:40,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230700 23070 39.916 -39523 4374.8 -43898 -43898 -0.31678 0.46292 0.16382 1.1292e+05 2023-02-16 03:30:42,166 INFO [main.py:643]
{rank 0/100} MD step = 230800 step time: 00:00:00.020487 Performance: 314.911 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:42,896 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230800 23080 39.641 -39508 4344.7 -43853 -43853 -0.31552 0.46292 0.16288 1.1297e+05 2023-02-16 03:30:44,932 INFO [main.py:643]
{rank 0/100} MD step = 230900 step time: 00:00:00.020526 Performance: 314.910 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:45,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230900 23090 40.064 -39486 4391 -43877 -43877 -0.31577 0.46387 0.16277 1.13e+05 2023-02-16 03:30:47,688 INFO [main.py:643]
{rank 0/100} MD step = 231000 step time: 00:00:00.020990 Performance: 314.909 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:48,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231000 23100 39.708 -39470 4352.1 -43822 -43822 -0.31583 0.46427 0.16396 1.1305e+05 2023-02-16 03:30:50,366 INFO [main.py:643]
{rank 0/100} MD step = 231100 step time: 00:00:00.020614 Performance: 314.912 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:51,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231100 23110 39.806 -39525 4362.8 -43888 -43888 -0.31564 0.46372 0.16426 1.131e+05 2023-02-16 03:30:53,200 INFO [main.py:643]
{rank 0/100} MD step = 231200 step time: 00:00:00.020498 Performance: 314.908 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:53,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231200 23120 40.719 -39384 4462.8 -43847 -43847 -0.31713 0.46359 0.16421 1.1316e+05 2023-02-16 03:30:55,898 INFO [main.py:643]
{rank 0/100} MD step = 231300 step time: 00:00:00.020317 Performance: 314.910 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:56,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231300 23130 40.038 -39443 4388.2 -43831 -43831 -0.3179 0.46323 0.16374 1.1322e+05 2023-02-16 03:30:58,598 INFO [main.py:643]
{rank 0/100} MD step = 231400 step time: 00:00:00.020510 Performance: 314.912 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:30:59,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231400 23140 39.871 -39430 4369.9 -43800 -43800 -0.31853 0.46345 0.16379 1.1328e+05 2023-02-16 03:31:01,204 INFO [main.py:643]
{rank 0/100} MD step = 231500 step time: 00:00:00.020332 Performance: 314.919 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:31:01,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231500 23150 39.683 -39560 4349.3 -43909 -43909 -0.31738 0.46454 0.16392 1.1333e+05 2023-02-16 03:31:03,853 INFO [main.py:643]
{rank 0/100} MD step = 231600 step time: 00:00:00.020526 Performance: 314.924 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:04,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231600 23160 40.366 -39411 4424.1 -43835 -43835 -0.31697 0.46497 0.16395 1.1337e+05 2023-02-16 03:31:06,546 INFO [main.py:643]
{rank 0/100} MD step = 231700 step time: 00:00:00.020485 Performance: 314.926 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:07,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231700 23170 39.773 -39460 4359.2 -43820 -43820 -0.31631 0.46534 0.16393 1.1343e+05 2023-02-16 03:31:09,294 INFO [main.py:643]
{rank 0/100} MD step = 231800 step time: 00:00:00.020345 Performance: 314.926 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:09,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231800 23180 40.075 -39477 4392.3 -43869 -43869 -0.31567 0.46598 0.16364 1.1347e+05 2023-02-16 03:31:11,984 INFO [main.py:643]
{rank 0/100} MD step = 231900 step time: 00:00:00.020460 Performance: 314.929 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:12,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231900 23190 40.334 -39400 4420.6 -43821 -43821 -0.31499 0.46615 0.16362 1.1352e+05 2023-02-16 03:31:14,708 INFO [main.py:643]
{rank 0/100} MD step = 232000 step time: 00:00:00.020456 Performance: 314.930 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:15,146 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232000 23200 39.901 -39506 4373.2 -43879 -43879 -0.31337 0.4671 0.16297 1.1358e+05 2023-02-16 03:31:17,505 INFO [main.py:643]
{rank 0/100} MD step = 232100 step time: 00:00:00.020429 Performance: 314.927 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:18,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232100 23210 39.698 -39466 4351 -43817 -43817 -0.31388 0.46793 0.16306 1.1362e+05 2023-02-16 03:31:20,352 INFO [main.py:643]
{rank 0/100} MD step = 232200 step time: 00:00:00.020387 Performance: 314.922 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:31:20,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232200 23220 40.182 -39390 4404 -43794 -43794 -0.31267 0.46908 0.16299 1.1367e+05 2023-02-16 03:31:23,102 INFO [main.py:643]
{rank 0/100} MD step = 232300 step time: 00:00:00.020968 Performance: 314.922 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:31:23,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232300 23230 39.899 -39417 4373 -43790 -43790 -0.31177 0.46943 0.16307 1.1372e+05 2023-02-16 03:31:25,770 INFO [main.py:643]
{rank 0/100} MD step = 232400 step time: 00:00:00.020479 Performance: 314.925 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:26,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232400 23240 40.361 -39431 4423.6 -43854 -43854 -0.31011 0.46966 0.16398 1.1376e+05 2023-02-16 03:31:28,459 INFO [main.py:643]
{rank 0/100} MD step = 232500 step time: 00:00:00.020585 Performance: 314.928 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:29,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232500 23250 40.077 -39497 4392.5 -43889 -43889 -0.30977 0.47106 0.16412 1.1382e+05 2023-02-16 03:31:31,170 INFO [main.py:643]
{rank 0/100} MD step = 232600 step time: 00:00:00.020564 Performance: 314.930 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:31,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232600 23260 40.476 -39472 4436.2 -43908 -43908 -0.30992 0.47151 0.16409 1.1387e+05 2023-02-16 03:31:33,850 INFO [main.py:643]
{rank 0/100} MD step = 232700 step time: 00:00:00.020504 Performance: 314.933 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:31:34,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232700 23270 40.097 -39418 4394.6 -43812 -43812 -0.30924 0.4716 0.16433 1.1392e+05 2023-02-16 03:31:36,990 INFO [main.py:643]
{rank 0/100} MD step = 232800 step time: 00:00:00.020533 Performance: 314.913 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:31:37,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232800 23280 40.401 -39412 4428 -43840 -43840 -0.30967 0.47308 0.16468 1.1398e+05 2023-02-16 03:31:39,705 INFO [main.py:643]
{rank 0/100} MD step = 232900 step time: 00:00:00.020486 Performance: 314.915 ns/day 0.076 hours/ns 36.448 steps/s 2023-02-16 03:31:40,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232900 23290 40.116 -39474 4396.7 -43871 -43871 -0.30967 0.47306 0.16438 1.1402e+05 2023-02-16 03:31:42,364 INFO [main.py:643]
{rank 0/100} MD step = 233000 step time: 00:00:00.020568 Performance: 314.919 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:31:42,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233000 23300 39.459 -39492 4324.7 -43817 -43817 -0.30992 0.47237 0.16428 1.1408e+05 2023-02-16 03:31:45,076 INFO [main.py:643]
{rank 0/100} MD step = 233100 step time: 00:00:00.020523 Performance: 314.920 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:31:45,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233100 23310 40.471 -39447 4435.6 -43883 -43883 -0.31048 0.47336 0.16473 1.1412e+05 2023-02-16 03:31:47,759 INFO [main.py:643]
{rank 0/100} MD step = 233200 step time: 00:00:00.021524 Performance: 314.923 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:31:48,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233200 23320 39.889 -39440 4371.9 -43812 -43812 -0.31081 0.47351 0.16473 1.1417e+05 2023-02-16 03:31:50,443 INFO [main.py:643]
{rank 0/100} MD step = 233300 step time: 00:00:00.020470 Performance: 314.926 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:50,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233300 23330 40.194 -39408 4405.3 -43813 -43813 -0.31366 0.47471 0.16531 1.1424e+05 2023-02-16 03:31:53,137 INFO [main.py:643]
{rank 0/100} MD step = 233400 step time: 00:00:00.020393 Performance: 314.929 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:53,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233400 23340 39.962 -39414 4379.9 -43794 -43794 -0.3148 0.47562 0.16473 1.1428e+05 2023-02-16 03:31:55,893 INFO [main.py:643]
{rank 0/100} MD step = 233500 step time: 00:00:00.020511 Performance: 314.928 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:56,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233500 23350 40.438 -39407 4432.1 -43840 -43840 -0.3137 0.4762 0.16482 1.1433e+05 2023-02-16 03:31:58,629 INFO [main.py:643]
{rank 0/100} MD step = 233600 step time: 00:00:00.020458 Performance: 314.928 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:31:59,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233600 23360 39.298 -39521 4307.1 -43828 -43828 -0.31539 0.47633 0.16442 1.1438e+05 2023-02-16 03:32:01,339 INFO [main.py:643]
{rank 0/100} MD step = 233700 step time: 00:00:00.020534 Performance: 314.930 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:32:01,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233700 23370 40.055 -39479 4390.1 -43869 -43869 -0.31596 0.4766 0.16439 1.1442e+05 2023-02-16 03:32:03,981 INFO [main.py:643]
{rank 0/100} MD step = 233800 step time: 00:00:00.020486 Performance: 314.935 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:32:04,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233800 23380 39.446 -39502 4323.3 -43825 -43825 -0.31556 0.4765 0.1646 1.1447e+05 2023-02-16 03:32:06,651 INFO [main.py:643]
{rank 0/100} MD step = 233900 step time: 00:00:00.020548 Performance: 314.939 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:32:07,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233900 23390 39.377 -39462 4315.7 -43778 -43778 -0.31562 0.47721 0.16489 1.1452e+05 2023-02-16 03:32:09,339 INFO [main.py:643]
{rank 0/100} MD step = 234000 step time: 00:00:00.020419 Performance: 314.941 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:32:09,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234000 23400 40.233 -39351 4409.6 -43761 -43761 -0.31574 0.47803 0.16492 1.1459e+05 2023-02-16 03:32:12,011 INFO [main.py:643]
{rank 0/100} MD step = 234100 step time: 00:00:00.020464 Performance: 314.945 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:32:12,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234100 23410 40.356 -39417 4423.1 -43840 -43840 -0.31581 0.47848 0.16588 1.1462e+05 2023-02-16 03:32:14,677 INFO [main.py:643]
{rank 0/100} MD step = 234200 step time: 00:00:00.020482 Performance: 314.949 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:32:15,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234200 23420 39.929 -39488 4376.3 -43864 -43864 -0.31632 0.4777 0.16527 1.1468e+05 2023-02-16 03:32:17,394 INFO [main.py:643]
{rank 0/100} MD step = 234300 step time: 00:00:00.020587 Performance: 314.950 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:32:18,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234300 23430 39.636 -39524 4344.1 -43868 -43868 -0.31678 0.47781 0.16485 1.1472e+05 2023-02-16 03:32:20,135 INFO [main.py:643]
{rank 0/100} MD step = 234400 step time: 00:00:00.020489 Performance: 314.950 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:32:20,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234400 23440 40.019 -39426 4386.1 -43812 -43812 -0.31592 0.47843 0.16512 1.1478e+05 2023-02-16 03:32:22,899 INFO [main.py:643]
{rank 0/100} MD step = 234500 step time: 00:00:00.020455 Performance: 314.949 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:32:23,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234500 23450 40.041 -39465 4388.6 -43854 -43854 -0.31579 0.47873 0.16472 1.1484e+05 2023-02-16 03:32:25,588 INFO [main.py:643]
{rank 0/100} MD step = 234600 step time: 00:00:00.020548 Performance: 314.952 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:32:26,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234600 23460 39.992 -39427 4383.1 -43810 -43810 -0.31597 0.47902 0.16548 1.1489e+05 2023-02-16 03:32:28,317 INFO [main.py:643]
{rank 0/100} MD step = 234700 step time: 00:00:00.021671 Performance: 314.952 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:32:28,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234700 23470 40.335 -39427 4420.8 -43848 -43848 -0.31503 0.47933 0.16576 1.1493e+05 2023-02-16 03:32:30,997 INFO [main.py:643]
{rank 0/100} MD step = 234800 step time: 00:00:00.020508 Performance: 314.956 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:32:31,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234800 23480 39.983 -39413 4382.2 -43795 -43795 -0.31503 0.48034 0.16584 1.15e+05 2023-02-16 03:32:33,753 INFO [main.py:643]
{rank 0/100} MD step = 234900 step time: 00:00:00.020479 Performance: 314.955 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:32:34,113 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234900 23490 40.029 -39404 4387.2 -43792 -43792 -0.31523 0.48043 0.16551 1.1504e+05 2023-02-16 03:32:36,403 INFO [main.py:643]
{rank 0/100} MD step = 235000 step time: 00:00:00.020652 Performance: 314.959 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:32:36,944 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235000 23500 39.871 -39404 4369.9 -43774 -43774 -0.31587 0.48051 0.16504 1.1509e+05 2023-02-16 03:32:39,094 INFO [main.py:643]
{rank 0/100} MD step = 235100 step time: 00:00:00.020415 Performance: 314.962 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:32:39,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235100 23510 39.734 -39530 4354.9 -43885 -43885 -0.31731 0.48125 0.16498 1.1513e+05 2023-02-16 03:32:41,797 INFO [main.py:643]
{rank 0/100} MD step = 235200 step time: 00:00:00.020509 Performance: 314.964 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:32:42,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235200 23520 40.008 -39367 4385 -43752 -43752 -0.31731 0.48177 0.16494 1.1519e+05 2023-02-16 03:32:44,551 INFO [main.py:643]
{rank 0/100} MD step = 235300 step time: 00:00:00.020530 Performance: 314.963 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:32:45,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235300 23530 39.964 -39417 4380.1 -43798 -43798 -0.31815 0.48145 0.16416 1.1522e+05 2023-02-16 03:32:47,268 INFO [main.py:643]
{rank 0/100} MD step = 235400 step time: 00:00:00.020308 Performance: 314.965 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:32:47,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235400 23540 40.162 -39367 4401.8 -43769 -43769 -0.31687 0.48229 0.16448 1.1528e+05 2023-02-16 03:32:49,988 INFO [main.py:643]
{rank 0/100} MD step = 235500 step time: 00:00:00.020502 Performance: 314.966 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:32:50,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235500 23550 39.848 -39506 4367.4 -43873 -43873 -0.31877 0.48288 0.16519 1.1533e+05 2023-02-16 03:32:52,682 INFO [main.py:643]
{rank 0/100} MD step = 235600 step time: 00:00:00.020392 Performance: 314.968 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:32:53,303 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235600 23560 39.852 -39442 4367.8 -43810 -43810 -0.31861 0.48332 0.16494 1.1538e+05 2023-02-16 03:32:55,485 INFO [main.py:643]
{rank 0/100} MD step = 235700 step time: 00:00:00.020445 Performance: 314.965 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:32:56,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235700 23570 39.824 -39497 4364.8 -43862 -43862 -0.31707 0.48389 0.16562 1.1543e+05 2023-02-16 03:32:58,177 INFO [main.py:643]
{rank 0/100} MD step = 235800 step time: 00:00:00.021202 Performance: 314.968 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:32:58,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235800 23580 39.515 -39452 4330.9 -43782 -43782 -0.31666 0.48403 0.16614 1.1547e+05 2023-02-16 03:33:00,850 INFO [main.py:643]
{rank 0/100} MD step = 235900 step time: 00:00:00.020516 Performance: 314.971 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:01,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235900 23590 40.017 -39443 4385.9 -43829 -43829 -0.31824 0.48432 0.16628 1.1552e+05 2023-02-16 03:33:03,618 INFO [main.py:643]
{rank 0/100} MD step = 236000 step time: 00:00:00.020526 Performance: 314.970 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:04,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236000 23600 40.343 -39397 4421.6 -43819 -43819 -0.31851 0.48418 0.16668 1.1556e+05 2023-02-16 03:33:06,357 INFO [main.py:643]
{rank 0/100} MD step = 236100 step time: 00:00:00.020379 Performance: 314.970 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:06,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236100 23610 39.941 -39423 4377.6 -43801 -43801 -0.31743 0.48332 0.1666 1.1561e+05 2023-02-16 03:33:09,147 INFO [main.py:643]
{rank 0/100} MD step = 236200 step time: 00:00:00.020433 Performance: 314.968 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:09,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236200 23620 40.099 -39498 4394.9 -43893 -43893 -0.31612 0.48414 0.16673 1.1566e+05 2023-02-16 03:33:11,832 INFO [main.py:643]
{rank 0/100} MD step = 236300 step time: 00:00:00.020576 Performance: 314.971 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:12,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236300 23630 39.784 -39455 4360.3 -43816 -43816 -0.31557 0.4842 0.1665 1.1573e+05 2023-02-16 03:33:14,651 INFO [main.py:643]
{rank 0/100} MD step = 236400 step time: 00:00:00.021027 Performance: 314.967 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:15,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236400 23640 39.89 -39575 4372 -43947 -43947 -0.3164 0.484 0.16741 1.1577e+05 2023-02-16 03:33:17,438 INFO [main.py:643]
{rank 0/100} MD step = 236500 step time: 00:00:00.020572 Performance: 314.965 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:18,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236500 23650 39.428 -39532 4321.3 -43854 -43854 -0.31597 0.4843 0.16718 1.1582e+05 2023-02-16 03:33:20,169 INFO [main.py:643]
{rank 0/100} MD step = 236600 step time: 00:00:00.020454 Performance: 314.966 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:20,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236600 23660 39.901 -39436 4373.2 -43810 -43810 -0.31609 0.48412 0.1667 1.1587e+05 2023-02-16 03:33:22,888 INFO [main.py:643]
{rank 0/100} MD step = 236700 step time: 00:00:00.020453 Performance: 314.967 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:23,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236700 23670 40.442 -39339 4432.5 -43771 -43771 -0.31686 0.48456 0.16731 1.1593e+05 2023-02-16 03:33:25,681 INFO [main.py:643]
{rank 0/100} MD step = 236800 step time: 00:00:00.020548 Performance: 314.964 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:26,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236800 23680 39.558 -39581 4335.6 -43917 -43917 -0.31781 0.48553 0.16759 1.1598e+05 2023-02-16 03:33:28,370 INFO [main.py:643]
{rank 0/100} MD step = 236900 step time: 00:00:00.021628 Performance: 314.967 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:28,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236900 23690 40.465 -39312 4435.1 -43747 -43747 -0.31691 0.4858 0.1671 1.1604e+05 2023-02-16 03:33:31,085 INFO [main.py:643]
{rank 0/100} MD step = 237000 step time: 00:00:00.020493 Performance: 314.968 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:31,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237000 23700 40.199 -39446 4405.8 -43852 -43852 -0.31796 0.48631 0.16758 1.1609e+05 2023-02-16 03:33:33,825 INFO [main.py:643]
{rank 0/100} MD step = 237100 step time: 00:00:00.020365 Performance: 314.968 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:34,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237100 23710 40.117 -39462 4396.9 -43859 -43859 -0.31788 0.48748 0.16816 1.1614e+05 2023-02-16 03:33:36,521 INFO [main.py:643]
{rank 0/100} MD step = 237200 step time: 00:00:00.020516 Performance: 314.971 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:37,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237200 23720 39.863 -39398 4369 -43767 -43767 -0.31711 0.48781 0.1699 1.1619e+05 2023-02-16 03:33:39,236 INFO [main.py:643]
{rank 0/100} MD step = 237300 step time: 00:00:00.020576 Performance: 314.972 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:39,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237300 23730 40.138 -39453 4399.2 -43852 -43852 -0.31603 0.4878 0.16919 1.1623e+05 2023-02-16 03:33:42,009 INFO [main.py:643]
{rank 0/100} MD step = 237400 step time: 00:00:00.022760 Performance: 314.971 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:33:42,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237400 23740 39.976 -39483 4381.4 -43864 -43864 -0.31589 0.4887 0.16992 1.1628e+05 2023-02-16 03:33:44,885 INFO [main.py:643]
{rank 0/100} MD step = 237500 step time: 00:00:00.020555 Performance: 314.964 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:45,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237500 23750 39.965 -39533 4380.2 -43913 -43913 -0.3159 0.48848 0.17002 1.1631e+05 2023-02-16 03:33:47,611 INFO [main.py:643]
{rank 0/100} MD step = 237600 step time: 00:00:00.020355 Performance: 314.965 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:48,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237600 23760 39.612 -39477 4341.5 -43818 -43818 -0.31539 0.4886 0.16961 1.1638e+05 2023-02-16 03:33:50,463 INFO [main.py:643]
{rank 0/100} MD step = 237700 step time: 00:00:00.020536 Performance: 314.960 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:51,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237700 23770 40.234 -39400 4409.7 -43810 -43810 -0.31424 0.48858 0.16948 1.1641e+05 2023-02-16 03:33:53,112 INFO [main.py:643]
{rank 0/100} MD step = 237800 step time: 00:00:00.020748 Performance: 314.964 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:53,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237800 23780 39.977 -39534 4381.6 -43916 -43916 -0.3151 0.48749 0.16959 1.1646e+05 2023-02-16 03:33:55,952 INFO [main.py:643]
{rank 0/100} MD step = 237900 step time: 00:00:00.020476 Performance: 314.960 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:56,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237900 23790 40.356 -39468 4423.1 -43891 -43891 -0.31655 0.48723 0.16906 1.165e+05 2023-02-16 03:33:58,645 INFO [main.py:643]
{rank 0/100} MD step = 238000 step time: 00:00:00.020605 Performance: 314.962 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:33:59,118 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238000 23800 40.356 -39392 4423 -43815 -43815 -0.31783 0.487 0.16995 1.1656e+05 2023-02-16 03:34:01,334 INFO [main.py:643]
{rank 0/100} MD step = 238100 step time: 00:00:00.020428 Performance: 314.965 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:34:01,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238100 23810 40.097 -39458 4394.7 -43853 -43853 -0.31818 0.48692 0.17039 1.166e+05 2023-02-16 03:34:03,991 INFO [main.py:643]
{rank 0/100} MD step = 238200 step time: 00:00:00.020417 Performance: 314.969 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:34:04,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238200 23820 39.837 -39455 4366.2 -43821 -43821 -0.31694 0.48735 0.1709 1.1665e+05 2023-02-16 03:34:06,711 INFO [main.py:643]
{rank 0/100} MD step = 238300 step time: 00:00:00.020590 Performance: 314.970 ns/day 0.076 hours/ns 36.455 steps/s 2023-02-16 03:34:07,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238300 23830 40 -39473 4384.1 -43857 -43857 -0.3172 0.48783 0.17097 1.1668e+05 2023-02-16 03:34:09,523 INFO [main.py:643]
{rank 0/100} MD step = 238400 step time: 00:00:00.020404 Performance: 314.967 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:34:10,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238400 23840 40.218 -39400 4407.9 -43808 -43808 -0.3183 0.48847 0.17085 1.1673e+05 2023-02-16 03:34:12,324 INFO [main.py:643]
{rank 0/100} MD step = 238500 step time: 00:00:00.020379 Performance: 314.964 ns/day 0.076 hours/ns 36.454 steps/s 2023-02-16 03:34:13,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238500 23850 39.709 -39425 4352.2 -43777 -43777 -0.3185 0.48802 0.17151 1.1679e+05 2023-02-16 03:34:15,306 INFO [main.py:643]
{rank 0/100} MD step = 238600 step time: 00:00:00.020437 Performance: 314.952 ns/day 0.076 hours/ns 36.453 steps/s 2023-02-16 03:34:16,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238600 23860 39.976 -39398 4381.4 -43780 -43780 -0.31978 0.48847 0.1719 1.1683e+05 2023-02-16 03:34:18,213 INFO [main.py:643]
{rank 0/100} MD step = 238700 step time: 00:00:00.021857 Performance: 314.944 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:34:18,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238700 23870 39.808 -39500 4363 -43863 -43863 -0.32034 0.4888 0.17177 1.1689e+05 2023-02-16 03:34:20,998 INFO [main.py:643]
{rank 0/100} MD step = 238800 step time: 00:00:00.020639 Performance: 314.942 ns/day 0.076 hours/ns 36.452 steps/s 2023-02-16 03:34:21,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238800 23880 40.707 -39448 4461.5 -43909 -43909 -0.3206 0.48841 0.17219 1.1693e+05 2023-02-16 03:34:23,845 INFO [main.py:643]
{rank 0/100} MD step = 238900 step time: 00:00:00.020472 Performance: 314.937 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:24,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238900 23890 39.911 -39485 4374.3 -43860 -43860 -0.32278 0.48869 0.17222 1.1699e+05 2023-02-16 03:34:26,636 INFO [main.py:643]
{rank 0/100} MD step = 239000 step time: 00:00:00.020574 Performance: 314.935 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:27,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239000 23900 40.196 -39449 4405.5 -43854 -43854 -0.32215 0.48966 0.17298 1.1704e+05 2023-02-16 03:34:29,467 INFO [main.py:643]
{rank 0/100} MD step = 239100 step time: 00:00:00.020520 Performance: 314.931 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:34:30,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239100 23910 39.713 -39445 4352.6 -43798 -43798 -0.32368 0.49024 0.17266 1.1709e+05 2023-02-16 03:34:32,159 INFO [main.py:643]
{rank 0/100} MD step = 239200 step time: 00:00:00.020479 Performance: 314.933 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:32,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239200 23920 40.249 -39462 4411.4 -43874 -43874 -0.32503 0.49104 0.17296 1.1713e+05 2023-02-16 03:34:34,871 INFO [main.py:643]
{rank 0/100} MD step = 239300 step time: 00:00:00.020466 Performance: 314.935 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:35,498 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239300 23930 39.758 -39422 4357.5 -43779 -43779 -0.32518 0.49142 0.1719 1.1717e+05 2023-02-16 03:34:37,643 INFO [main.py:643]
{rank 0/100} MD step = 239400 step time: 00:00:00.020415 Performance: 314.934 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:38,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239400 23940 39.893 -39421 4372.3 -43794 -43794 -0.32562 0.49225 0.17163 1.1724e+05 2023-02-16 03:34:40,488 INFO [main.py:643]
{rank 0/100} MD step = 239500 step time: 00:00:00.020572 Performance: 314.929 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:34:40,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239500 23950 39.707 -39473 4351.9 -43825 -43825 -0.32621 0.49263 0.17196 1.173e+05 2023-02-16 03:34:43,180 INFO [main.py:643]
{rank 0/100} MD step = 239600 step time: 00:00:00.020339 Performance: 314.931 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:34:43,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239600 23960 39.986 -39427 4382.5 -43810 -43810 -0.32635 0.49256 0.17207 1.1733e+05 2023-02-16 03:34:45,902 INFO [main.py:643]
{rank 0/100} MD step = 239700 step time: 00:00:00.020411 Performance: 314.932 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:34:46,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239700 23970 39.644 -39526 4345 -43871 -43871 -0.32697 0.49238 0.17161 1.1738e+05 2023-02-16 03:34:48,589 INFO [main.py:643]
{rank 0/100} MD step = 239800 step time: 00:00:00.020309 Performance: 314.935 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:49,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239800 23980 39.721 -39416 4353.4 -43770 -43770 -0.32654 0.49273 0.17179 1.1743e+05 2023-02-16 03:34:51,317 INFO [main.py:643]
{rank 0/100} MD step = 239900 step time: 00:00:00.020562 Performance: 314.936 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:51,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239900 23990 39.674 -39581 4348.3 -43929 -43929 -0.32596 0.49199 0.17243 1.1749e+05 2023-02-16 03:34:54,013 INFO [main.py:643]
{rank 0/100} MD step = 240000 step time: 00:00:00.020970 Performance: 314.938 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:54,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240000 24000 39.991 -39367 4383 -43750 -43750 -0.32482 0.49231 0.17193 1.1755e+05 2023-02-16 03:34:56,798 INFO [main.py:643]
{rank 0/100} MD step = 240100 step time: 00:00:00.020503 Performance: 314.936 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:57,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240100 24010 40.145 -39425 4399.9 -43824 -43824 -0.32411 0.4926 0.17138 1.1759e+05 2023-02-16 03:34:59,541 INFO [main.py:643]
{rank 0/100} MD step = 240200 step time: 00:00:00.020797 Performance: 314.936 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:34:59,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240200 24020 40.257 -39458 4412.2 -43870 -43870 -0.32318 0.49233 0.17168 1.1764e+05 2023-02-16 03:35:02,325 INFO [main.py:643]
{rank 0/100} MD step = 240300 step time: 00:00:00.020524 Performance: 314.934 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:35:02,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240300 24030 40.175 -39450 4403.2 -43853 -43853 -0.32282 0.49197 0.17068 1.1767e+05 2023-02-16 03:35:04,975 INFO [main.py:643]
{rank 0/100} MD step = 240400 step time: 00:00:00.020441 Performance: 314.938 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:35:05,535 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240400 24040 39.957 -39448 4379.4 -43827 -43827 -0.32405 0.49268 0.17081 1.1772e+05 2023-02-16 03:35:07,808 INFO [main.py:643]
{rank 0/100} MD step = 240500 step time: 00:00:00.020490 Performance: 314.934 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:35:08,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240500 24050 40.216 -39445 4407.8 -43852 -43852 -0.32476 0.49288 0.1706 1.1778e+05 2023-02-16 03:35:10,592 INFO [main.py:643]
{rank 0/100} MD step = 240600 step time: 00:00:00.020334 Performance: 314.932 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:11,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240600 24060 39.913 -39453 4374.5 -43827 -43827 -0.32657 0.49295 0.17117 1.1784e+05 2023-02-16 03:35:13,358 INFO [main.py:643]
{rank 0/100} MD step = 240700 step time: 00:00:00.020460 Performance: 314.931 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:13,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240700 24070 40.081 -39423 4392.9 -43816 -43816 -0.32682 0.49249 0.17117 1.1789e+05 2023-02-16 03:35:16,053 INFO [main.py:643]
{rank 0/100} MD step = 240800 step time: 00:00:00.020713 Performance: 314.934 ns/day 0.076 hours/ns 36.451 steps/s 2023-02-16 03:35:16,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240800 24080 40.27 -39467 4413.6 -43880 -43880 -0.3274 0.49269 0.17124 1.1794e+05 2023-02-16 03:35:18,979 INFO [main.py:643]
{rank 0/100} MD step = 240900 step time: 00:00:00.020476 Performance: 314.925 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:19,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240900 24090 40.611 -39378 4451 -43829 -43829 -0.32608 0.49328 0.17287 1.1799e+05 2023-02-16 03:35:21,747 INFO [main.py:643]
{rank 0/100} MD step = 241000 step time: 00:00:00.020352 Performance: 314.924 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:35:22,427 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241000 24100 39.781 -39475 4360 -43835 -43835 -0.32694 0.49291 0.17351 1.1805e+05 2023-02-16 03:35:24,608 INFO [main.py:643]
{rank 0/100} MD step = 241100 step time: 00:00:00.020479 Performance: 314.918 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:35:25,307 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241100 24110 40.527 -39343 4441.8 -43785 -43785 -0.32638 0.49363 0.17271 1.1808e+05 2023-02-16 03:35:27,337 INFO [main.py:643]
{rank 0/100} MD step = 241200 step time: 00:00:00.020515 Performance: 314.919 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:35:27,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241200 24120 40.225 -39445 4408.7 -43854 -43854 -0.32634 0.49322 0.17289 1.1813e+05 2023-02-16 03:35:30,027 INFO [main.py:643]
{rank 0/100} MD step = 241300 step time: 00:00:00.020455 Performance: 314.921 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:35:30,732 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241300 24130 40.092 -39445 4394.1 -43840 -43840 -0.32685 0.49348 0.1736 1.1818e+05 2023-02-16 03:35:32,777 INFO [main.py:643]
{rank 0/100} MD step = 241400 step time: 00:00:00.020560 Performance: 314.921 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:35:33,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241400 24140 40.377 -39484 4425.4 -43910 -43910 -0.3263 0.49359 0.17388 1.1823e+05 2023-02-16 03:35:35,447 INFO [main.py:643]
{rank 0/100} MD step = 241500 step time: 00:00:00.020472 Performance: 314.924 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:36,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241500 24150 39.823 -39439 4364.7 -43803 -43803 -0.32607 0.49308 0.17349 1.1828e+05 2023-02-16 03:35:38,172 INFO [main.py:643]
{rank 0/100} MD step = 241600 step time: 00:00:00.020978 Performance: 314.925 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:38,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241600 24160 40.159 -39353 4401.4 -43754 -43754 -0.32645 0.49301 0.17281 1.1834e+05 2023-02-16 03:35:40,869 INFO [main.py:643]
{rank 0/100} MD step = 241700 step time: 00:00:00.020429 Performance: 314.928 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:41,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241700 24170 40.131 -39495 4398.4 -43893 -43893 -0.32709 0.49381 0.1722 1.184e+05 2023-02-16 03:35:43,598 INFO [main.py:643]
{rank 0/100} MD step = 241800 step time: 00:00:00.020533 Performance: 314.928 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:44,281 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241800 24180 40.082 -39472 4393 -43865 -43865 -0.32734 0.49328 0.17224 1.1845e+05 2023-02-16 03:35:46,369 INFO [main.py:643]
{rank 0/100} MD step = 241900 step time: 00:00:00.020451 Performance: 314.927 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:47,080 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241900 24190 39.816 -39521 4363.9 -43885 -43885 -0.32618 0.49321 0.17184 1.185e+05 2023-02-16 03:35:49,122 INFO [main.py:643]
{rank 0/100} MD step = 242000 step time: 00:00:00.020539 Performance: 314.926 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:35:49,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242000 24200 39.809 -39455 4363.1 -43818 -43818 -0.32576 0.49319 0.17178 1.1855e+05 2023-02-16 03:35:51,929 INFO [main.py:643]
{rank 0/100} MD step = 242100 step time: 00:00:00.020391 Performance: 314.923 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:35:52,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242100 24210 40.288 -39443 4415.6 -43859 -43859 -0.32531 0.49336 0.17214 1.186e+05 2023-02-16 03:35:54,692 INFO [main.py:643]
{rank 0/100} MD step = 242200 step time: 00:00:00.020609 Performance: 314.923 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:35:55,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242200 24220 39.677 -39525 4348.6 -43874 -43874 -0.3255 0.49377 0.17195 1.1864e+05 2023-02-16 03:35:57,482 INFO [main.py:643]
{rank 0/100} MD step = 242300 step time: 00:00:00.020486 Performance: 314.920 ns/day 0.076 hours/ns 36.449 steps/s 2023-02-16 03:35:57,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242300 24230 40.418 -39361 4429.9 -43791 -43791 -0.32533 0.49441 0.17259 1.187e+05 2023-02-16 03:36:00,140 INFO [main.py:643]
{rank 0/100} MD step = 242400 step time: 00:00:00.020470 Performance: 314.924 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:36:00,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242400 24240 39.749 -39506 4356.5 -43862 -43862 -0.32553 0.49483 0.17208 1.1875e+05 2023-02-16 03:36:02,824 INFO [main.py:643]
{rank 0/100} MD step = 242500 step time: 00:00:00.020351 Performance: 314.927 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:36:03,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242500 24250 40.004 -39396 4384.5 -43781 -43781 -0.32621 0.49529 0.17199 1.1879e+05 2023-02-16 03:36:05,507 INFO [main.py:643]
{rank 0/100} MD step = 242600 step time: 00:00:00.020433 Performance: 314.930 ns/day 0.076 hours/ns 36.450 steps/s 2023-02-16 03:36:07,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242600 24260 40.333 -39372 4420.6 -43793 -43793 -0.32581 0.49591 0.17062 1.1883e+05 2023-02-16 03:36:09,917 INFO [main.py:643]
{rank 0/100} MD step = 242700 step time: 00:00:00.020562 Performance: 314.851 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:36:10,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242700 24270 40.334 -39451 4420.7 -43872 -43872 -0.32653 0.49618 0.1712 1.1888e+05 2023-02-16 03:36:12,701 INFO [main.py:643]
{rank 0/100} MD step = 242800 step time: 00:00:00.020709 Performance: 314.849 ns/day 0.076 hours/ns 36.441 steps/s 2023-02-16 03:36:13,281 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242800 24280 40.11 -39409 4396.1 -43805 -43805 -0.32388 0.49586 0.17117 1.1894e+05 2023-02-16 03:36:15,313 INFO [main.py:643]
{rank 0/100} MD step = 242900 step time: 00:00:00.020542 Performance: 314.856 ns/day 0.076 hours/ns 36.442 steps/s 2023-02-16 03:36:17,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242900 24290 39.508 -39533 4330.1 -43863 -43863 -0.32431 0.49618 0.17085 1.1899e+05 2023-02-16 03:36:19,232 INFO [main.py:643]
{rank 0/100} MD step = 243000 step time: 00:00:00.020635 Performance: 314.800 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:36:19,806 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243000 24300 39.567 -39426 4336.6 -43762 -43762 -0.3255 0.49694 0.16984 1.1903e+05 2023-02-16 03:36:21,994 INFO [main.py:643]
{rank 0/100} MD step = 243100 step time: 00:00:00.020559 Performance: 314.799 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:36:22,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243100 24310 40.025 -39501 4386.8 -43888 -43888 -0.32642 0.49625 0.16906 1.1908e+05 2023-02-16 03:36:24,931 INFO [main.py:643]
{rank 0/100} MD step = 243200 step time: 00:00:00.020464 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:25,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243200 24320 39.406 -39465 4318.9 -43784 -43784 -0.32669 0.49639 0.1688 1.1915e+05 2023-02-16 03:36:27,689 INFO [main.py:643]
{rank 0/100} MD step = 243300 step time: 00:00:00.020556 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:28,375 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243300 24330 40.658 -39412 4456.2 -43868 -43868 -0.32742 0.49662 0.16916 1.192e+05 2023-02-16 03:36:30,428 INFO [main.py:643]
{rank 0/100} MD step = 243400 step time: 00:00:00.020430 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:31,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243400 24340 39.793 -39452 4361.3 -43813 -43813 -0.32916 0.49779 0.16927 1.1925e+05 2023-02-16 03:36:33,146 INFO [main.py:643]
{rank 0/100} MD step = 243500 step time: 00:00:00.020505 Performance: 314.791 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:33,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243500 24350 40.24 -39451 4410.4 -43861 -43861 -0.32831 0.49854 0.17008 1.1929e+05 2023-02-16 03:36:35,849 INFO [main.py:643]
{rank 0/100} MD step = 243600 step time: 00:00:00.020513 Performance: 314.793 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:36,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243600 24360 40.156 -39462 4401.2 -43863 -43863 -0.3284 0.49922 0.17092 1.1934e+05 2023-02-16 03:36:38,592 INFO [main.py:643]
{rank 0/100} MD step = 243700 step time: 00:00:00.020416 Performance: 314.793 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:39,301 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243700 24370 39.581 -39501 4338.2 -43839 -43839 -0.33001 0.5001 0.17281 1.194e+05 2023-02-16 03:36:41,346 INFO [main.py:643]
{rank 0/100} MD step = 243800 step time: 00:00:00.020386 Performance: 314.793 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:41,876 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243800 24380 40.158 -39397 4401.4 -43799 -43799 -0.32985 0.50144 0.17344 1.1944e+05 2023-02-16 03:36:44,010 INFO [main.py:643]
{rank 0/100} MD step = 243900 step time: 00:00:00.020488 Performance: 314.797 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:36:44,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243900 24390 40.078 -39478 4392.6 -43870 -43870 -0.32962 0.50146 0.17292 1.1949e+05 2023-02-16 03:36:46,801 INFO [main.py:643]
{rank 0/100} MD step = 244000 step time: 00:00:00.020501 Performance: 314.794 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:36:47,301 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244000 24400 40.143 -39516 4399.8 -43916 -43916 -0.33008 0.50108 0.1722 1.1953e+05 2023-02-16 03:36:49,646 INFO [main.py:643]
{rank 0/100} MD step = 244100 step time: 00:00:00.020504 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:50,353 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244100 24410 38.955 -39476 4269.5 -43745 -43745 -0.33026 0.50209 0.17108 1.1959e+05 2023-02-16 03:36:52,384 INFO [main.py:643]
{rank 0/100} MD step = 244200 step time: 00:00:00.020425 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:53,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244200 24420 39.836 -39426 4366.1 -43792 -43792 -0.3315 0.50193 0.17072 1.1963e+05 2023-02-16 03:36:55,130 INFO [main.py:643]
{rank 0/100} MD step = 244300 step time: 00:00:00.020397 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:55,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244300 24430 40.632 -39320 4453.3 -43774 -43774 -0.33087 0.50187 0.17165 1.1967e+05 2023-02-16 03:36:57,871 INFO [main.py:643]
{rank 0/100} MD step = 244400 step time: 00:00:00.020373 Performance: 314.790 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:36:58,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244400 24440 40.066 -39475 4391.2 -43866 -43866 -0.33187 0.50222 0.17075 1.1972e+05 2023-02-16 03:37:00,535 INFO [main.py:643]
{rank 0/100} MD step = 244500 step time: 00:00:00.020500 Performance: 314.794 ns/day 0.076 hours/ns 36.434 steps/s 2023-02-16 03:37:01,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244500 24450 40.161 -39484 4401.7 -43886 -43886 -0.33047 0.50246 0.17126 1.1977e+05 2023-02-16 03:37:03,240 INFO [main.py:643]
{rank 0/100} MD step = 244600 step time: 00:00:00.020606 Performance: 314.796 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:37:03,826 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244600 24460 39.748 -39441 4356.4 -43798 -43798 -0.33093 0.50296 0.17024 1.1982e+05 2023-02-16 03:37:05,862 INFO [main.py:643]
{rank 0/100} MD step = 244700 step time: 00:00:00.020438 Performance: 314.801 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:37:06,253 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244700 24470 39.626 -39557 4343 -43900 -43900 -0.33171 0.50206 0.17151 1.1986e+05 2023-02-16 03:37:08,557 INFO [main.py:643]
{rank 0/100} MD step = 244800 step time: 00:00:00.020430 Performance: 314.804 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:09,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244800 24480 39.552 -39418 4334.9 -43753 -43753 -0.33206 0.50294 0.1722 1.1992e+05 2023-02-16 03:37:11,234 INFO [main.py:643]
{rank 0/100} MD step = 244900 step time: 00:00:00.020588 Performance: 314.807 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:11,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244900 24490 40.442 -39315 4432.5 -43747 -43747 -0.33287 0.50306 0.1726 1.1999e+05 2023-02-16 03:37:13,943 INFO [main.py:643]
{rank 0/100} MD step = 245000 step time: 00:00:00.020475 Performance: 314.809 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:14,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245000 24500 40.246 -39433 4411.1 -43844 -43844 -0.33238 0.5026 0.17241 1.2004e+05 2023-02-16 03:37:16,675 INFO [main.py:643]
{rank 0/100} MD step = 245100 step time: 00:00:00.020555 Performance: 314.809 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:17,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245100 24510 40.05 -39408 4389.5 -43798 -43798 -0.33192 0.50199 0.17215 1.2007e+05 2023-02-16 03:37:19,384 INFO [main.py:643]
{rank 0/100} MD step = 245200 step time: 00:00:00.020443 Performance: 314.811 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:20,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245200 24520 40.85 -39335 4477.2 -43812 -43812 -0.33316 0.50127 0.17168 1.2012e+05 2023-02-16 03:37:22,326 INFO [main.py:643]
{rank 0/100} MD step = 245300 step time: 00:00:00.020400 Performance: 314.802 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:37:22,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245300 24530 39.745 -39440 4356.1 -43796 -43796 -0.33253 0.50112 0.17129 1.2017e+05 2023-02-16 03:37:25,008 INFO [main.py:643]
{rank 0/100} MD step = 245400 step time: 00:00:00.020279 Performance: 314.805 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:25,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245400 24540 39.987 -39424 4382.6 -43807 -43807 -0.33242 0.5018 0.1707 1.2024e+05 2023-02-16 03:37:27,870 INFO [main.py:643]
{rank 0/100} MD step = 245500 step time: 00:00:00.020691 Performance: 314.799 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:37:28,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245500 24550 39.975 -39397 4381.3 -43778 -43778 -0.33423 0.50278 0.16999 1.2027e+05 2023-02-16 03:37:30,559 INFO [main.py:643]
{rank 0/100} MD step = 245600 step time: 00:00:00.020598 Performance: 314.802 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:37:31,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245600 24560 39.592 -39448 4339.4 -43788 -43788 -0.33369 0.50301 0.16971 1.2033e+05 2023-02-16 03:37:33,316 INFO [main.py:643]
{rank 0/100} MD step = 245700 step time: 00:00:00.020404 Performance: 314.801 ns/day 0.076 hours/ns 36.435 steps/s 2023-02-16 03:37:33,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245700 24570 39.673 -39535 4348.2 -43883 -43883 -0.33339 0.50284 0.17005 1.2036e+05 2023-02-16 03:37:35,999 INFO [main.py:643]
{rank 0/100} MD step = 245800 step time: 00:00:00.020423 Performance: 314.804 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:36,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245800 24580 40.164 -39379 4402 -43781 -43781 -0.33156 0.50269 0.1695 1.2042e+05 2023-02-16 03:37:38,716 INFO [main.py:643]
{rank 0/100} MD step = 245900 step time: 00:00:00.020552 Performance: 314.805 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:39,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245900 24590 39.554 -39445 4335.2 -43780 -43780 -0.33168 0.50222 0.16891 1.2046e+05 2023-02-16 03:37:41,480 INFO [main.py:643]
{rank 0/100} MD step = 246000 step time: 00:00:00.020331 Performance: 314.804 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:42,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246000 24600 40.322 -39475 4419.3 -43894 -43894 -0.33109 0.50249 0.16807 1.205e+05 2023-02-16 03:37:44,157 INFO [main.py:643]
{rank 0/100} MD step = 246100 step time: 00:00:00.020484 Performance: 314.808 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:44,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246100 24610 39.833 -39484 4365.7 -43850 -43850 -0.32954 0.50378 0.1682 1.2055e+05 2023-02-16 03:37:46,887 INFO [main.py:643]
{rank 0/100} MD step = 246200 step time: 00:00:00.020704 Performance: 314.808 ns/day 0.076 hours/ns 36.436 steps/s 2023-02-16 03:37:47,510 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246200 24620 40.176 -39440 4403.3 -43843 -43843 -0.32939 0.50429 0.16788 1.2061e+05 2023-02-16 03:37:49,554 INFO [main.py:643]
{rank 0/100} MD step = 246300 step time: 00:00:00.020597 Performance: 314.812 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:37:49,952 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246300 24630 39.88 -39400 4370.9 -43771 -43771 -0.33141 0.50471 0.16713 1.2065e+05 2023-02-16 03:37:52,266 INFO [main.py:643]
{rank 0/100} MD step = 246400 step time: 00:00:00.020397 Performance: 314.813 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:37:52,894 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246400 24640 40.202 -39375 4406.2 -43781 -43781 -0.33006 0.50506 0.1674 1.2071e+05 2023-02-16 03:37:54,925 INFO [main.py:643]
{rank 0/100} MD step = 246500 step time: 00:00:00.020569 Performance: 314.817 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:37:55,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246500 24650 40.311 -39361 4418.1 -43780 -43780 -0.3303 0.50464 0.16614 1.2074e+05 2023-02-16 03:37:57,794 INFO [main.py:643]
{rank 0/100} MD step = 246600 step time: 00:00:00.020435 Performance: 314.812 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:37:58,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 24660 39.466 -39613 4325.6 -43938 -43938 -0.33076 0.50494 0.16582 1.2079e+05 2023-02-16 03:38:00,465 INFO [main.py:643]
{rank 0/100} MD step = 246700 step time: 00:00:00.020503 Performance: 314.815 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:38:01,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246700 24670 39.335 -39541 4311.2 -43852 -43852 -0.33179 0.50475 0.16578 1.2086e+05 2023-02-16 03:38:03,227 INFO [main.py:643]
{rank 0/100} MD step = 246800 step time: 00:00:00.020745 Performance: 314.814 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:38:03,858 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246800 24680 40.56 -39466 4445.5 -43912 -43912 -0.3317 0.50536 0.16614 1.2091e+05 2023-02-16 03:38:05,933 INFO [main.py:643]
{rank 0/100} MD step = 246900 step time: 00:00:00.020514 Performance: 314.816 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:38:06,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246900 24690 41.16 -39290 4511.2 -43801 -43801 -0.33284 0.50527 0.1661 1.2098e+05 2023-02-16 03:38:08,724 INFO [main.py:643]
{rank 0/100} MD step = 247000 step time: 00:00:00.020474 Performance: 314.814 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:38:09,364 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247000 24700 39.837 -39463 4366.1 -43829 -43829 -0.33342 0.50566 0.16544 1.2102e+05 2023-02-16 03:38:11,440 INFO [main.py:643]
{rank 0/100} MD step = 247100 step time: 00:00:00.020478 Performance: 314.815 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:38:11,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247100 24710 39.708 -39443 4352 -43795 -43795 -0.33211 0.5049 0.16576 1.2106e+05 2023-02-16 03:38:14,134 INFO [main.py:643]
{rank 0/100} MD step = 247200 step time: 00:00:00.020410 Performance: 314.817 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:38:14,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247200 24720 39.435 -39510 4322.1 -43832 -43832 -0.33192 0.50572 0.16576 1.2111e+05 2023-02-16 03:38:16,860 INFO [main.py:643]
{rank 0/100} MD step = 247300 step time: 00:00:00.020470 Performance: 314.818 ns/day 0.076 hours/ns 36.437 steps/s 2023-02-16 03:38:17,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247300 24730 40.013 -39417 4385.5 -43802 -43802 -0.33138 0.5057 0.16624 1.2115e+05 2023-02-16 03:38:19,543 INFO [main.py:643]
{rank 0/100} MD step = 247400 step time: 00:00:00.020595 Performance: 314.821 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:38:20,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247400 24740 40.403 -39373 4428.2 -43801 -43801 -0.33058 0.5063 0.16598 1.2119e+05 2023-02-16 03:38:22,178 INFO [main.py:643]
{rank 0/100} MD step = 247500 step time: 00:00:00.020341 Performance: 314.826 ns/day 0.076 hours/ns 36.438 steps/s 2023-02-16 03:38:22,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247500 24750 39.757 -39465 4357.5 -43822 -43822 -0.331 0.50597 0.16688 1.2123e+05 2023-02-16 03:38:24,831 INFO [main.py:643]
{rank 0/100} MD step = 247600 step time: 00:00:00.020526 Performance: 314.830 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:38:25,441 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247600 24760 39.53 -39516 4332.6 -43849 -43849 -0.33239 0.50553 0.16641 1.2127e+05 2023-02-16 03:38:27,473 INFO [main.py:643]
{rank 0/100} MD step = 247700 step time: 00:00:00.020466 Performance: 314.835 ns/day 0.076 hours/ns 36.439 steps/s 2023-02-16 03:38:27,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247700 24770 39.876 -39465 4370.5 -43835 -43835 -0.33209 0.50473 0.16621 1.2131e+05 2023-02-16 03:38:30,125 INFO [main.py:643]
{rank 0/100} MD step = 247800 step time: 00:00:00.020434 Performance: 314.839 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:38:30,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247800 24780 40.828 -39372 4474.8 -43847 -43847 -0.33337 0.50551 0.16677 1.2137e+05 2023-02-16 03:38:32,844 INFO [main.py:643]
{rank 0/100} MD step = 247900 step time: 00:00:00.020500 Performance: 314.841 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:38:33,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247900 24790 39.721 -39441 4353.5 -43795 -43795 -0.3323 0.50538 0.16614 1.2141e+05 2023-02-16 03:38:35,541 INFO [main.py:643]
{rank 0/100} MD step = 248000 step time: 00:00:00.020528 Performance: 314.843 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:38:36,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248000 24800 41.05 -39407 4499.1 -43907 -43907 -0.33114 0.50597 0.16648 1.2145e+05 2023-02-16 03:38:38,340 INFO [main.py:643]
{rank 0/100} MD step = 248100 step time: 00:00:00.021763 Performance: 314.840 ns/day 0.076 hours/ns 36.440 steps/s 2023-02-16 03:38:40,365 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248100 24810 39.932 -39517 4376.6 -43893 -43893 -0.3299 0.5057 0.16647 1.215e+05 2023-02-16 03:38:42,535 INFO [main.py:643]
{rank 0/100} MD step = 248200 step time: 00:00:00.020515 Performance: 314.773 ns/day 0.076 hours/ns 36.432 steps/s 2023-02-16 03:38:44,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248200 24820 40.493 -39384 4438.1 -43822 -43822 -0.33091 0.50494 0.1668 1.2157e+05 2023-02-16 03:38:47,300 INFO [main.py:643]
{rank 0/100} MD step = 248300 step time: 00:00:00.020471 Performance: 314.680 ns/day 0.076 hours/ns 36.421 steps/s 2023-02-16 03:38:47,952 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248300 24830 40.4 -39421 4427.9 -43849 -43849 -0.33069 0.50544 0.16673 1.2162e+05 2023-02-16 03:38:50,038 INFO [main.py:643]
{rank 0/100} MD step = 248400 step time: 00:00:00.020364 Performance: 314.680 ns/day 0.076 hours/ns 36.421 steps/s 2023-02-16 03:38:50,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248400 24840 40.034 -39421 4387.7 -43809 -43809 -0.33071 0.50609 0.1658 1.2167e+05 2023-02-16 03:38:52,728 INFO [main.py:643]
{rank 0/100} MD step = 248500 step time: 00:00:00.020661 Performance: 314.683 ns/day 0.076 hours/ns 36.422 steps/s 2023-02-16 03:38:53,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248500 24850 39.948 -39423 4378.4 -43801 -43801 -0.33088 0.5067 0.16547 1.2172e+05 2023-02-16 03:38:55,443 INFO [main.py:643]
{rank 0/100} MD step = 248600 step time: 00:00:00.020428 Performance: 314.684 ns/day 0.076 hours/ns 36.422 steps/s 2023-02-16 03:38:56,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248600 24860 40.074 -39466 4392.1 -43858 -43858 -0.33215 0.50723 0.16553 1.2176e+05 2023-02-16 03:38:58,158 INFO [main.py:643]
{rank 0/100} MD step = 248700 step time: 00:00:00.020464 Performance: 314.686 ns/day 0.076 hours/ns 36.422 steps/s 2023-02-16 03:38:58,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248700 24870 40.081 -39451 4393 -43844 -43844 -0.33289 0.50715 0.1653 1.2181e+05 2023-02-16 03:39:00,839 INFO [main.py:643]
{rank 0/100} MD step = 248800 step time: 00:00:00.020443 Performance: 314.689 ns/day 0.076 hours/ns 36.422 steps/s 2023-02-16 03:39:02,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248800 24880 40.088 -39430 4393.7 -43824 -43824 -0.33278 0.50735 0.165 1.2185e+05 2023-02-16 03:39:05,669 INFO [main.py:643]
{rank 0/100} MD step = 248900 step time: 00:00:00.020437 Performance: 314.593 ns/day 0.076 hours/ns 36.411 steps/s 2023-02-16 03:39:06,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248900 24890 40.203 -39387 4406.3 -43793 -43793 -0.33261 0.50738 0.16464 1.2191e+05 2023-02-16 03:39:08,595 INFO [main.py:643]
{rank 0/100} MD step = 249000 step time: 00:00:00.020484 Performance: 314.584 ns/day 0.076 hours/ns 36.410 steps/s 2023-02-16 03:39:09,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249000 24900 39.617 -39429 4342.1 -43771 -43771 -0.33196 0.50746 0.16509 1.2196e+05 2023-02-16 03:39:11,272 INFO [main.py:643]
{rank 0/100} MD step = 249100 step time: 00:00:00.020441 Performance: 314.588 ns/day 0.076 hours/ns 36.411 steps/s 2023-02-16 03:39:11,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249100 24910 40.656 -39388 4455.9 -43844 -43844 -0.33069 0.50757 0.16565 1.2199e+05 2023-02-16 03:39:13,927 INFO [main.py:643]
{rank 0/100} MD step = 249200 step time: 00:00:00.020426 Performance: 314.592 ns/day 0.076 hours/ns 36.411 steps/s 2023-02-16 03:39:14,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249200 24920 40.821 -39399 4474 -43873 -43873 -0.33164 0.50725 0.1662 1.2205e+05 2023-02-16 03:39:16,608 INFO [main.py:643]
{rank 0/100} MD step = 249300 step time: 00:00:00.020491 Performance: 314.595 ns/day 0.076 hours/ns 36.411 steps/s 2023-02-16 03:39:16,986 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249300 24930 39.855 -39451 4368.1 -43819 -43819 -0.33172 0.50726 0.16591 1.2209e+05 2023-02-16 03:39:19,313 INFO [main.py:643]
{rank 0/100} MD step = 249400 step time: 00:00:00.020482 Performance: 314.597 ns/day 0.076 hours/ns 36.412 steps/s 2023-02-16 03:39:19,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249400 24940 40.445 -39428 4432.8 -43861 -43861 -0.33209 0.50781 0.16706 1.2211e+05 2023-02-16 03:39:21,984 INFO [main.py:643]
{rank 0/100} MD step = 249500 step time: 00:00:00.020620 Performance: 314.600 ns/day 0.076 hours/ns 36.412 steps/s 2023-02-16 03:39:24,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249500 24950 39.984 -39421 4382.3 -43803 -43803 -0.33122 0.50851 0.1666 1.2217e+05 2023-02-16 03:39:26,223 INFO [main.py:643]
{rank 0/100} MD step = 249600 step time: 00:00:00.020531 Performance: 314.532 ns/day 0.076 hours/ns 36.404 steps/s 2023-02-16 03:39:27,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249600 24960 40.098 -39470 4394.8 -43864 -43864 -0.33045 0.50787 0.1663 1.2221e+05 2023-02-16 03:39:29,172 INFO [main.py:643]
{rank 0/100} MD step = 249700 step time: 00:00:00.020441 Performance: 314.522 ns/day 0.076 hours/ns 36.403 steps/s 2023-02-16 03:39:29,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249700 24970 39.699 -39494 4351.1 -43845 -43845 -0.32931 0.50781 0.16523 1.2227e+05 2023-02-16 03:39:31,926 INFO [main.py:643]
{rank 0/100} MD step = 249800 step time: 00:00:00.020262 Performance: 314.522 ns/day 0.076 hours/ns 36.403 steps/s 2023-02-16 03:39:32,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249800 24980 39.789 -39479 4361 -43840 -43840 -0.32905 0.5081 0.16476 1.2233e+05 2023-02-16 03:39:34,771 INFO [main.py:643]
{rank 0/100} MD step = 249900 step time: 00:00:00.020498 Performance: 314.518 ns/day 0.076 hours/ns 36.403 steps/s 2023-02-16 03:39:37,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249900 24990 39.923 -39500 4375.6 -43876 -43876 -0.32814 0.50852 0.16449 1.2238e+05 2023-02-16 03:39:39,286 INFO [main.py:643]
{rank 0/100} MD step = 250000 step time: 00:00:00.020546 Performance: 314.437 ns/day 0.076 hours/ns 36.393 steps/s 2023-02-16 03:39:40,792 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250000 25000 40.049 -39456 4389.4 -43846 -43846 -0.32705 0.50888 0.16477 1.2242e+05 2023-02-16 03:39:45,184 INFO [main.py:643]
{rank 0/100} MD step = 250100 step time: 00:00:00.020509 Performance: 314.293 ns/day 0.076 hours/ns 36.376 steps/s 2023-02-16 03:39:46,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250100 25010 39.922 -39404 4375.5 -43779 -43779 -0.32532 0.50859 0.1658 1.2247e+05 2023-02-16 03:39:48,935 INFO [main.py:643]
{rank 0/100} MD step = 250200 step time: 00:00:00.020411 Performance: 314.247 ns/day 0.076 hours/ns 36.371 steps/s 2023-02-16 03:39:49,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250200 25020 39.524 -39557 4331.9 -43889 -43889 -0.32532 0.50842 0.16471 1.225e+05 2023-02-16 03:39:51,722 INFO [main.py:643]
{rank 0/100} MD step = 250300 step time: 00:00:00.020894 Performance: 314.245 ns/day 0.076 hours/ns 36.371 steps/s 2023-02-16 03:39:55,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250300 25030 39.348 -39616 4312.6 -43929 -43929 -0.32436 0.50765 0.16449 1.2256e+05 2023-02-16 03:39:57,453 INFO [main.py:643]
{rank 0/100} MD step = 250400 step time: 00:00:00.020537 Performance: 314.109 ns/day 0.076 hours/ns 36.355 steps/s 2023-02-16 03:40:04,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250400 25040 39.679 -39506 4348.9 -43855 -43855 -0.32413 0.50776 0.16509 1.2262e+05 2023-02-16 03:40:06,364 INFO [main.py:643]
{rank 0/100} MD step = 250500 step time: 00:00:00.020470 Performance: 313.829 ns/day 0.076 hours/ns 36.323 steps/s 2023-02-16 03:40:09,367 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250500 25050 39.91 -39396 4374.2 -43770 -43770 -0.324 0.5079 0.16581 1.2267e+05 2023-02-16 03:40:11,503 INFO [main.py:643]
{rank 0/100} MD step = 250600 step time: 00:00:00.020485 Performance: 313.720 ns/day 0.077 hours/ns 36.310 steps/s 2023-02-16 03:40:12,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250600 25060 39.932 -39458 4376.6 -43835 -43835 -0.32364 0.50814 0.16558 1.2272e+05 2023-02-16 03:40:14,355 INFO [main.py:643]
{rank 0/100} MD step = 250700 step time: 00:00:00.020473 Performance: 313.716 ns/day 0.077 hours/ns 36.310 steps/s 2023-02-16 03:40:15,170 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250700 25070 39.963 -39470 4380 -43850 -43850 -0.3231 0.50854 0.16565 1.2276e+05 2023-02-16 03:40:17,259 INFO [main.py:643]
{rank 0/100} MD step = 250800 step time: 00:00:00.023209 Performance: 313.709 ns/day 0.077 hours/ns 36.309 steps/s 2023-02-16 03:40:19,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250800 25080 38.804 -39594 4253 -43847 -43847 -0.32373 0.50837 0.16492 1.2283e+05 2023-02-16 03:40:21,901 INFO [main.py:643]
{rank 0/100} MD step = 250900 step time: 00:00:00.020469 Performance: 313.623 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:40:22,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250900 25090 39.454 -39468 4324.2 -43793 -43793 -0.3228 0.50898 0.16589 1.2287e+05 2023-02-16 03:40:24,638 INFO [main.py:643]
{rank 0/100} MD step = 251000 step time: 00:00:00.020528 Performance: 313.624 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:40:25,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251000 25100 40.323 -39463 4419.5 -43882 -43882 -0.32301 0.5087 0.1654 1.229e+05 2023-02-16 03:40:27,395 INFO [main.py:643]
{rank 0/100} MD step = 251100 step time: 00:00:00.020419 Performance: 313.624 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:40:28,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251100 25110 39.895 -39405 4372.5 -43777 -43777 -0.32472 0.50951 0.16505 1.2298e+05 2023-02-16 03:40:30,240 INFO [main.py:643]
{rank 0/100} MD step = 251200 step time: 00:00:00.020532 Performance: 313.620 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:40:31,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251200 25120 40.28 -39501 4414.8 -43916 -43916 -0.32446 0.50943 0.16456 1.23e+05 2023-02-16 03:40:33,189 INFO [main.py:643]
{rank 0/100} MD step = 251300 step time: 00:00:00.020469 Performance: 313.611 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:40:33,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251300 25130 40.256 -39436 4412.1 -43848 -43848 -0.32387 0.51016 0.16474 1.2306e+05 2023-02-16 03:40:35,908 INFO [main.py:643]
{rank 0/100} MD step = 251400 step time: 00:00:00.020323 Performance: 313.613 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:40:36,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251400 25140 39.916 -39483 4374.8 -43858 -43858 -0.32285 0.51009 0.16429 1.2311e+05 2023-02-16 03:40:38,590 INFO [main.py:643]
{rank 0/100} MD step = 251500 step time: 00:00:00.020648 Performance: 313.616 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:40:39,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251500 25150 40.406 -39438 4428.6 -43867 -43867 -0.32322 0.5103 0.16523 1.2317e+05 2023-02-16 03:40:41,295 INFO [main.py:643]
{rank 0/100} MD step = 251600 step time: 00:00:00.020500 Performance: 313.618 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:40:41,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251600 25160 40.469 -39434 4435.5 -43870 -43870 -0.32479 0.50974 0.16533 1.2323e+05 2023-02-16 03:40:43,966 INFO [main.py:643]
{rank 0/100} MD step = 251700 step time: 00:00:00.020420 Performance: 313.622 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:40:44,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251700 25170 39.982 -39465 4382 -43847 -43847 -0.32585 0.50995 0.16565 1.2328e+05 2023-02-16 03:40:46,699 INFO [main.py:643]
{rank 0/100} MD step = 251800 step time: 00:00:00.020472 Performance: 313.623 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:40:47,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251800 25180 39.75 -39497 4356.6 -43853 -43853 -0.3273 0.51026 0.16441 1.2332e+05 2023-02-16 03:40:49,435 INFO [main.py:643]
{rank 0/100} MD step = 251900 step time: 00:00:00.020651 Performance: 313.624 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:40:50,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251900 25190 40.265 -39410 4413.1 -43823 -43823 -0.32729 0.51039 0.16538 1.2336e+05 2023-02-16 03:40:52,126 INFO [main.py:643]
{rank 0/100} MD step = 252000 step time: 00:00:00.020490 Performance: 313.627 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:40:52,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252000 25200 40.268 -39369 4413.5 -43783 -43783 -0.32732 0.5111 0.16533 1.2342e+05 2023-02-16 03:40:54,813 INFO [main.py:643]
{rank 0/100} MD step = 252100 step time: 00:00:00.020363 Performance: 313.630 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:40:55,533 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252100 25210 39.579 -39562 4337.9 -43900 -43900 -0.32834 0.51161 0.16592 1.2345e+05 2023-02-16 03:40:57,565 INFO [main.py:643]
{rank 0/100} MD step = 252200 step time: 00:00:00.020532 Performance: 313.630 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:40:58,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252200 25220 39.576 -39466 4337.6 -43804 -43804 -0.3291 0.51015 0.1654 1.2351e+05 2023-02-16 03:41:00,268 INFO [main.py:643]
{rank 0/100} MD step = 252300 step time: 00:00:00.020579 Performance: 313.632 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:41:01,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252300 25230 39.373 -39459 4315.3 -43774 -43774 -0.32939 0.5099 0.16448 1.2357e+05 2023-02-16 03:41:03,185 INFO [main.py:643]
{rank 0/100} MD step = 252400 step time: 00:00:00.020505 Performance: 313.625 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:41:03,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252400 25240 40.126 -39415 4397.9 -43813 -43813 -0.33048 0.50963 0.16437 1.236e+05 2023-02-16 03:41:06,108 INFO [main.py:643]
{rank 0/100} MD step = 252500 step time: 00:00:00.021130 Performance: 313.617 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:41:06,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252500 25250 39.898 -39469 4372.8 -43842 -43842 -0.3308 0.5101 0.1637 1.2367e+05 2023-02-16 03:41:08,925 INFO [main.py:643]
{rank 0/100} MD step = 252600 step time: 00:00:00.020384 Performance: 313.614 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:41:09,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252600 25260 40.591 -39388 4448.8 -43837 -43837 -0.33161 0.51119 0.16375 1.2371e+05 2023-02-16 03:41:12,089 INFO [main.py:643]
{rank 0/100} MD step = 252700 step time: 00:00:00.020512 Performance: 313.596 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:12,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252700 25270 39.843 -39405 4366.8 -43771 -43771 -0.33295 0.51082 0.16309 1.2377e+05 2023-02-16 03:41:14,728 INFO [main.py:643]
{rank 0/100} MD step = 252800 step time: 00:00:00.020666 Performance: 313.601 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:15,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252800 25280 39.526 -39469 4332.1 -43801 -43801 -0.334 0.51085 0.16332 1.238e+05 2023-02-16 03:41:17,574 INFO [main.py:643]
{rank 0/100} MD step = 252900 step time: 00:00:00.020397 Performance: 313.597 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:18,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252900 25290 40.686 -39378 4459.2 -43837 -43837 -0.33388 0.51077 0.16376 1.2385e+05 2023-02-16 03:41:20,384 INFO [main.py:643]
{rank 0/100} MD step = 253000 step time: 00:00:00.020335 Performance: 313.595 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:21,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253000 25300 40.088 -39408 4393.7 -43802 -43802 -0.33346 0.5106 0.16374 1.2391e+05 2023-02-16 03:41:23,153 INFO [main.py:643]
{rank 0/100} MD step = 253100 step time: 00:00:00.020415 Performance: 313.594 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:23,826 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253100 25310 39.635 -39515 4344.1 -43859 -43859 -0.3341 0.51026 0.16328 1.2395e+05 2023-02-16 03:41:25,884 INFO [main.py:643]
{rank 0/100} MD step = 253200 step time: 00:00:00.020346 Performance: 313.595 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:26,578 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253200 25320 39.02 -39449 4276.6 -43726 -43726 -0.3356 0.50996 0.16364 1.2401e+05 2023-02-16 03:41:28,625 INFO [main.py:643]
{rank 0/100} MD step = 253300 step time: 00:00:00.020478 Performance: 313.596 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:29,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253300 25330 39.82 -39486 4364.3 -43850 -43850 -0.33568 0.51064 0.16397 1.2405e+05 2023-02-16 03:41:31,377 INFO [main.py:643]
{rank 0/100} MD step = 253400 step time: 00:00:00.020546 Performance: 313.596 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:32,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253400 25340 40.684 -39447 4459 -43906 -43906 -0.33671 0.51131 0.16448 1.241e+05 2023-02-16 03:41:34,263 INFO [main.py:643]
{rank 0/100} MD step = 253500 step time: 00:00:00.020498 Performance: 313.590 ns/day 0.077 hours/ns 36.295 steps/s 2023-02-16 03:41:34,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253500 25350 40.201 -39420 4406 -43826 -43826 -0.33886 0.51211 0.1648 1.2416e+05 2023-02-16 03:41:36,941 INFO [main.py:643]
{rank 0/100} MD step = 253600 step time: 00:00:00.020380 Performance: 313.594 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:37,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253600 25360 39.922 -39465 4375.5 -43841 -43841 -0.33926 0.51213 0.16469 1.2419e+05 2023-02-16 03:41:39,675 INFO [main.py:643]
{rank 0/100} MD step = 253700 step time: 00:00:00.020420 Performance: 313.594 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:40,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253700 25370 40.135 -39396 4398.8 -43795 -43795 -0.33869 0.51212 0.16441 1.2425e+05 2023-02-16 03:41:42,364 INFO [main.py:643]
{rank 0/100} MD step = 253800 step time: 00:00:00.020487 Performance: 313.597 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:43,019 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253800 25380 39.744 -39443 4356 -43799 -43799 -0.33839 0.51203 0.16552 1.2428e+05 2023-02-16 03:41:45,079 INFO [main.py:643]
{rank 0/100} MD step = 253900 step time: 00:00:00.020455 Performance: 313.599 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:45,680 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253900 25390 39.898 -39546 4372.9 -43918 -43918 -0.33816 0.51181 0.16647 1.2432e+05 2023-02-16 03:41:47,799 INFO [main.py:643]
{rank 0/100} MD step = 254000 step time: 00:00:00.020441 Performance: 313.601 ns/day 0.077 hours/ns 36.296 steps/s 2023-02-16 03:41:48,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254000 25400 40.058 -39371 4390.4 -43762 -43762 -0.33824 0.51235 0.16732 1.2438e+05 2023-02-16 03:41:50,517 INFO [main.py:643]
{rank 0/100} MD step = 254100 step time: 00:00:00.020407 Performance: 313.603 ns/day 0.077 hours/ns 36.297 steps/s 2023-02-16 03:41:51,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254100 25410 39.841 -39465 4366.6 -43831 -43831 -0.33763 0.51125 0.16777 1.2443e+05 2023-02-16 03:41:53,224 INFO [main.py:643]
{rank 0/100} MD step = 254200 step time: 00:00:00.020502 Performance: 313.605 ns/day 0.077 hours/ns 36.297 steps/s 2023-02-16 03:41:53,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254200 25420 40.484 -39380 4437.1 -43817 -43817 -0.33813 0.51208 0.16757 1.2447e+05 2023-02-16 03:41:55,837 INFO [main.py:643]
{rank 0/100} MD step = 254300 step time: 00:00:00.020412 Performance: 313.611 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:41:56,547 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254300 25430 40.141 -39370 4399.5 -43770 -43770 -0.33842 0.51166 0.16673 1.2453e+05 2023-02-16 03:41:58,594 INFO [main.py:643]
{rank 0/100} MD step = 254400 step time: 00:00:00.024403 Performance: 313.611 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:41:59,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254400 25440 39.925 -39459 4375.8 -43835 -43835 -0.33717 0.51184 0.16688 1.2458e+05 2023-02-16 03:42:01,389 INFO [main.py:643]
{rank 0/100} MD step = 254500 step time: 00:00:00.020382 Performance: 313.609 ns/day 0.077 hours/ns 36.297 steps/s 2023-02-16 03:42:01,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254500 25450 39.783 -39512 4360.2 -43872 -43872 -0.33821 0.51201 0.16632 1.2463e+05 2023-02-16 03:42:04,075 INFO [main.py:643]
{rank 0/100} MD step = 254600 step time: 00:00:00.020438 Performance: 313.612 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:42:04,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254600 25460 40.356 -39356 4423.1 -43779 -43779 -0.33859 0.51239 0.1657 1.2466e+05 2023-02-16 03:42:06,737 INFO [main.py:643]
{rank 0/100} MD step = 254700 step time: 00:00:00.020361 Performance: 313.616 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:42:07,309 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254700 25470 40.225 -39466 4408.7 -43875 -43875 -0.33892 0.51268 0.1662 1.2471e+05 2023-02-16 03:42:09,440 INFO [main.py:643]
{rank 0/100} MD step = 254800 step time: 00:00:00.020421 Performance: 313.619 ns/day 0.077 hours/ns 36.298 steps/s 2023-02-16 03:42:10,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254800 25480 40.044 -39496 4388.9 -43885 -43885 -0.33829 0.51304 0.1669 1.2476e+05 2023-02-16 03:42:12,101 INFO [main.py:643]
{rank 0/100} MD step = 254900 step time: 00:00:00.020535 Performance: 313.623 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:12,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254900 25490 40.485 -39387 4437.2 -43824 -43824 -0.33844 0.51395 0.1671 1.2481e+05 2023-02-16 03:42:14,774 INFO [main.py:643]
{rank 0/100} MD step = 255000 step time: 00:00:00.020412 Performance: 313.627 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:15,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255000 25500 39.893 -39376 4372.3 -43749 -43749 -0.3377 0.51428 0.16693 1.2486e+05 2023-02-16 03:42:17,643 INFO [main.py:643]
{rank 0/100} MD step = 255100 step time: 00:00:00.020551 Performance: 313.621 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:18,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255100 25510 39.704 -39379 4351.6 -43731 -43731 -0.33851 0.51437 0.16757 1.2491e+05 2023-02-16 03:42:20,294 INFO [main.py:643]
{rank 0/100} MD step = 255200 step time: 00:00:00.020496 Performance: 313.626 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:21,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255200 25520 39.832 -39442 4365.6 -43808 -43808 -0.33956 0.51504 0.16816 1.2497e+05 2023-02-16 03:42:23,170 INFO [main.py:643]
{rank 0/100} MD step = 255300 step time: 00:00:00.020635 Performance: 313.621 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:23,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255300 25530 39.946 -39439 4378.1 -43817 -43817 -0.33956 0.51464 0.16782 1.2501e+05 2023-02-16 03:42:25,854 INFO [main.py:643]
{rank 0/100} MD step = 255400 step time: 00:00:00.020443 Performance: 313.624 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:26,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255400 25540 40.05 -39447 4389.6 -43837 -43837 -0.34079 0.51443 0.16793 1.2506e+05 2023-02-16 03:42:28,604 INFO [main.py:643]
{rank 0/100} MD step = 255500 step time: 00:00:00.020338 Performance: 313.624 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:29,244 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255500 25550 40.406 -39408 4428.5 -43837 -43837 -0.34113 0.51414 0.16773 1.2512e+05 2023-02-16 03:42:31,301 INFO [main.py:643]
{rank 0/100} MD step = 255600 step time: 00:00:00.020455 Performance: 313.627 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:31,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255600 25560 40.291 -39315 4415.9 -43731 -43731 -0.34061 0.51458 0.16707 1.2517e+05 2023-02-16 03:42:34,041 INFO [main.py:643]
{rank 0/100} MD step = 255700 step time: 00:00:00.020409 Performance: 313.627 ns/day 0.077 hours/ns 36.299 steps/s 2023-02-16 03:42:34,710 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255700 25570 39.93 -39497 4376.4 -43874 -43874 -0.34037 0.51553 0.16683 1.2519e+05 2023-02-16 03:42:36,740 INFO [main.py:643]
{rank 0/100} MD step = 255800 step time: 00:00:00.020470 Performance: 313.630 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:37,378 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255800 25580 40.127 -39420 4398 -43818 -43818 -0.34074 0.51599 0.16731 1.2525e+05 2023-02-16 03:42:39,473 INFO [main.py:643]
{rank 0/100} MD step = 255900 step time: 00:00:00.020482 Performance: 313.631 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:40,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255900 25590 40.379 -39361 4425.5 -43786 -43786 -0.33944 0.51652 0.16819 1.253e+05 2023-02-16 03:42:42,181 INFO [main.py:643]
{rank 0/100} MD step = 256000 step time: 00:00:00.020384 Performance: 313.633 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:42,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256000 25600 39.686 -39488 4349.6 -43838 -43838 -0.34178 0.51728 0.16849 1.2535e+05 2023-02-16 03:42:44,892 INFO [main.py:643]
{rank 0/100} MD step = 256100 step time: 00:00:00.020451 Performance: 313.635 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:45,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256100 25610 40.204 -39433 4406.4 -43839 -43839 -0.3424 0.51748 0.16892 1.254e+05 2023-02-16 03:42:47,682 INFO [main.py:643]
{rank 0/100} MD step = 256200 step time: 00:00:00.020500 Performance: 313.633 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:48,208 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256200 25620 39.844 -39437 4367 -43804 -43804 -0.34175 0.51772 0.16925 1.2545e+05 2023-02-16 03:42:50,423 INFO [main.py:643]
{rank 0/100} MD step = 256300 step time: 00:00:00.020548 Performance: 313.634 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:51,146 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256300 25630 40.576 -39335 4447.2 -43783 -43783 -0.34176 0.51753 0.16852 1.255e+05 2023-02-16 03:42:53,203 INFO [main.py:643]
{rank 0/100} MD step = 256400 step time: 00:00:00.020475 Performance: 313.633 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:53,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256400 25640 40.026 -39346 4386.9 -43733 -43733 -0.3413 0.51835 0.16844 1.2553e+05 2023-02-16 03:42:55,946 INFO [main.py:643]
{rank 0/100} MD step = 256500 step time: 00:00:00.020458 Performance: 313.633 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:56,648 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256500 25650 40.118 -39466 4397 -43863 -43863 -0.34133 0.51818 0.16871 1.2558e+05 2023-02-16 03:42:58,722 INFO [main.py:643]
{rank 0/100} MD step = 256600 step time: 00:00:00.020612 Performance: 313.632 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:42:59,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256600 25660 40.529 -39378 4442 -43820 -43820 -0.34148 0.51836 0.16885 1.2563e+05 2023-02-16 03:43:01,411 INFO [main.py:643]
{rank 0/100} MD step = 256700 step time: 00:00:00.020668 Performance: 313.635 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:43:02,066 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256700 25670 39.726 -39451 4354 -43805 -43805 -0.34082 0.51904 0.16871 1.257e+05 2023-02-16 03:43:04,106 INFO [main.py:643]
{rank 0/100} MD step = 256800 step time: 00:00:00.020752 Performance: 313.638 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:04,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256800 25680 40.072 -39504 4392 -43896 -43896 -0.34049 0.51868 0.16898 1.2574e+05 2023-02-16 03:43:06,877 INFO [main.py:643]
{rank 0/100} MD step = 256900 step time: 00:00:00.020595 Performance: 313.637 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:07,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256900 25690 39.503 -39566 4329.5 -43896 -43896 -0.34013 0.51776 0.16892 1.2578e+05 2023-02-16 03:43:09,538 INFO [main.py:643]
{rank 0/100} MD step = 257000 step time: 00:00:00.020544 Performance: 313.641 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:10,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257000 25700 39.642 -39509 4344.8 -43854 -43854 -0.34091 0.51821 0.16793 1.2582e+05 2023-02-16 03:43:12,251 INFO [main.py:643]
{rank 0/100} MD step = 257100 step time: 00:00:00.020523 Performance: 313.643 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:12,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257100 25710 39.634 -39489 4343.9 -43833 -43833 -0.34112 0.51999 0.16805 1.2589e+05 2023-02-16 03:43:14,966 INFO [main.py:643]
{rank 0/100} MD step = 257200 step time: 00:00:00.020481 Performance: 313.645 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:15,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257200 25720 39.748 -39473 4356.5 -43829 -43829 -0.34246 0.51886 0.16791 1.2592e+05 2023-02-16 03:43:17,770 INFO [main.py:643]
{rank 0/100} MD step = 257300 step time: 00:00:00.020446 Performance: 313.643 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:18,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257300 25730 39.921 -39494 4375.4 -43869 -43869 -0.34173 0.51847 0.16713 1.2598e+05 2023-02-16 03:43:20,470 INFO [main.py:643]
{rank 0/100} MD step = 257400 step time: 00:00:00.020354 Performance: 313.645 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:21,091 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257400 25740 39.585 -39392 4338.5 -43731 -43731 -0.34409 0.51938 0.16793 1.2602e+05 2023-02-16 03:43:23,225 INFO [main.py:643]
{rank 0/100} MD step = 257500 step time: 00:00:00.020461 Performance: 313.645 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:23,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257500 25750 39.768 -39521 4358.6 -43879 -43879 -0.34471 0.52026 0.16787 1.2607e+05 2023-02-16 03:43:25,879 INFO [main.py:643]
{rank 0/100} MD step = 257600 step time: 00:00:00.020559 Performance: 313.650 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:26,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257600 25760 40.009 -39439 4385 -43824 -43824 -0.34552 0.51981 0.16767 1.2611e+05 2023-02-16 03:43:28,781 INFO [main.py:643]
{rank 0/100} MD step = 257700 step time: 00:00:00.020392 Performance: 313.643 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:29,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257700 25770 40.22 -39428 4408.1 -43836 -43836 -0.34364 0.51973 0.16831 1.2617e+05 2023-02-16 03:43:31,525 INFO [main.py:643]
{rank 0/100} MD step = 257800 step time: 00:00:00.020503 Performance: 313.644 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:32,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257800 25780 40.144 -39408 4399.8 -43808 -43808 -0.34334 0.52016 0.16793 1.2622e+05 2023-02-16 03:43:34,261 INFO [main.py:643]
{rank 0/100} MD step = 257900 step time: 00:00:00.020439 Performance: 313.644 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:43:34,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257900 25790 39.666 -39444 4347.5 -43792 -43792 -0.34368 0.52091 0.16824 1.2626e+05 2023-02-16 03:43:36,925 INFO [main.py:643]
{rank 0/100} MD step = 258000 step time: 00:00:00.020353 Performance: 313.648 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:37,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258000 25800 40.002 -39529 4384.2 -43914 -43914 -0.3465 0.52108 0.16846 1.2629e+05 2023-02-16 03:43:39,652 INFO [main.py:643]
{rank 0/100} MD step = 258100 step time: 00:00:00.020412 Performance: 313.650 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:40,341 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258100 25810 40.6 -39328 4449.8 -43778 -43778 -0.34501 0.52148 0.17014 1.2636e+05 2023-02-16 03:43:42,377 INFO [main.py:643]
{rank 0/100} MD step = 258200 step time: 00:00:00.020447 Performance: 313.651 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:43,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258200 25820 40.507 -39395 4439.7 -43834 -43834 -0.34442 0.5218 0.16964 1.2639e+05 2023-02-16 03:43:45,089 INFO [main.py:643]
{rank 0/100} MD step = 258300 step time: 00:00:00.020500 Performance: 313.653 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:45,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258300 25830 39.608 -39500 4341.1 -43841 -43841 -0.34298 0.52148 0.16911 1.2645e+05 2023-02-16 03:43:47,865 INFO [main.py:643]
{rank 0/100} MD step = 258400 step time: 00:00:00.020342 Performance: 313.652 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:48,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258400 25840 41.181 -39306 4513.4 -43819 -43819 -0.34442 0.52224 0.1687 1.265e+05 2023-02-16 03:43:50,609 INFO [main.py:643]
{rank 0/100} MD step = 258500 step time: 00:00:00.020423 Performance: 313.652 ns/day 0.077 hours/ns 36.302 steps/s 2023-02-16 03:43:51,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258500 25850 40.102 -39432 4395.3 -43827 -43827 -0.34263 0.52314 0.16845 1.2654e+05 2023-02-16 03:43:53,259 INFO [main.py:643]
{rank 0/100} MD step = 258600 step time: 00:00:00.020350 Performance: 313.657 ns/day 0.077 hours/ns 36.303 steps/s 2023-02-16 03:43:53,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258600 25860 39.757 -39414 4357.4 -43772 -43772 -0.34271 0.5235 0.16846 1.2659e+05 2023-02-16 03:43:55,960 INFO [main.py:643]
{rank 0/100} MD step = 258700 step time: 00:00:00.020541 Performance: 313.659 ns/day 0.077 hours/ns 36.303 steps/s 2023-02-16 03:43:56,555 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258700 25870 39.818 -39435 4364.1 -43799 -43799 -0.34165 0.52433 0.16875 1.2665e+05 2023-02-16 03:43:58,737 INFO [main.py:643]
{rank 0/100} MD step = 258800 step time: 00:00:00.020504 Performance: 313.658 ns/day 0.077 hours/ns 36.303 steps/s 2023-02-16 03:43:59,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258800 25880 39.655 -39500 4346.2 -43846 -43846 -0.34225 0.52486 0.16845 1.2669e+05 2023-02-16 03:44:01,457 INFO [main.py:643]
{rank 0/100} MD step = 258900 step time: 00:00:00.020322 Performance: 313.660 ns/day 0.077 hours/ns 36.303 steps/s 2023-02-16 03:44:02,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258900 25890 39.926 -39427 4376 -43802 -43802 -0.3416 0.52477 0.16797 1.2674e+05 2023-02-16 03:44:04,327 INFO [main.py:643]
{rank 0/100} MD step = 259000 step time: 00:00:00.020755 Performance: 313.655 ns/day 0.077 hours/ns 36.303 steps/s 2023-02-16 03:44:04,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259000 25900 39.923 -39476 4375.6 -43851 -43851 -0.34194 0.52517 0.16807 1.268e+05 2023-02-16 03:44:07,011 INFO [main.py:643]
{rank 0/100} MD step = 259100 step time: 00:00:00.020567 Performance: 313.658 ns/day 0.077 hours/ns 36.303 steps/s 2023-02-16 03:44:07,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259100 25910 40.216 -39414 4407.8 -43822 -43822 -0.34181 0.52481 0.1679 1.2682e+05 2023-02-16 03:44:09,703 INFO [main.py:643]
{rank 0/100} MD step = 259200 step time: 00:00:00.020493 Performance: 313.661 ns/day 0.077 hours/ns 36.303 steps/s 2023-02-16 03:44:10,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259200 25920 39.697 -39538 4350.8 -43889 -43889 -0.34248 0.52523 0.16927 1.2687e+05 2023-02-16 03:44:12,392 INFO [main.py:643]
{rank 0/100} MD step = 259300 step time: 00:00:00.020628 Performance: 313.663 ns/day 0.077 hours/ns 36.304 steps/s 2023-02-16 03:44:13,043 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259300 25930 39.405 -39518 4318.9 -43837 -43837 -0.34362 0.52576 0.16868 1.2692e+05 2023-02-16 03:44:15,097 INFO [main.py:643]
{rank 0/100} MD step = 259400 step time: 00:00:00.020354 Performance: 313.666 ns/day 0.077 hours/ns 36.304 steps/s 2023-02-16 03:44:15,746 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259400 25940 40.406 -39343 4428.5 -43772 -43772 -0.34403 0.52577 0.16822 1.2697e+05 2023-02-16 03:44:17,794 INFO [main.py:643]
{rank 0/100} MD step = 259500 step time: 00:00:00.020715 Performance: 313.668 ns/day 0.077 hours/ns 36.304 steps/s 2023-02-16 03:44:18,309 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259500 25950 40.232 -39351 4409.4 -43760 -43760 -0.34337 0.52602 0.16866 1.2703e+05 2023-02-16 03:44:20,489 INFO [main.py:643]
{rank 0/100} MD step = 259600 step time: 00:00:00.020443 Performance: 313.671 ns/day 0.077 hours/ns 36.304 steps/s 2023-02-16 03:44:21,091 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259600 25960 40.323 -39429 4419.4 -43848 -43848 -0.34248 0.5258 0.16836 1.2708e+05 2023-02-16 03:44:23,172 INFO [main.py:643]
{rank 0/100} MD step = 259700 step time: 00:00:00.020505 Performance: 313.674 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:23,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259700 25970 39.671 -39501 4348 -43849 -43849 -0.34241 0.52589 0.16879 1.2712e+05 2023-02-16 03:44:25,815 INFO [main.py:643]
{rank 0/100} MD step = 259800 step time: 00:00:00.020476 Performance: 313.679 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:26,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259800 25980 40.125 -39460 4397.7 -43858 -43858 -0.34208 0.52593 0.16938 1.2716e+05 2023-02-16 03:44:28,583 INFO [main.py:643]
{rank 0/100} MD step = 259900 step time: 00:00:00.020502 Performance: 313.678 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:29,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259900 25990 39.806 -39485 4362.8 -43848 -43848 -0.34366 0.52539 0.16966 1.2721e+05 2023-02-16 03:44:31,443 INFO [main.py:643]
{rank 0/100} MD step = 260000 step time: 00:00:00.021027 Performance: 313.674 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:32,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260000 26000 40.019 -39424 4386.1 -43810 -43810 -0.344 0.52528 0.17022 1.2725e+05 2023-02-16 03:44:34,237 INFO [main.py:643]
{rank 0/100} MD step = 260100 step time: 00:00:00.020360 Performance: 313.672 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:34,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260100 26010 39.724 -39445 4353.8 -43799 -43799 -0.3436 0.52537 0.16987 1.2732e+05 2023-02-16 03:44:36,957 INFO [main.py:643]
{rank 0/100} MD step = 260200 step time: 00:00:00.020448 Performance: 313.673 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:37,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260200 26020 39.948 -39444 4378.4 -43822 -43822 -0.34208 0.52495 0.16973 1.2736e+05 2023-02-16 03:44:39,798 INFO [main.py:643]
{rank 0/100} MD step = 260300 step time: 00:00:00.020600 Performance: 313.670 ns/day 0.077 hours/ns 36.304 steps/s 2023-02-16 03:44:40,353 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260300 26030 39.461 -39504 4325 -43829 -43829 -0.34179 0.52593 0.16993 1.2742e+05 2023-02-16 03:44:42,515 INFO [main.py:643]
{rank 0/100} MD step = 260400 step time: 00:00:00.020405 Performance: 313.671 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:43,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260400 26040 39.465 -39546 4325.4 -43872 -43872 -0.34204 0.52632 0.17008 1.2747e+05 2023-02-16 03:44:45,247 INFO [main.py:643]
{rank 0/100} MD step = 260500 step time: 00:00:00.020476 Performance: 313.672 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:45,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260500 26050 39.576 -39447 4337.6 -43784 -43784 -0.34228 0.52659 0.17072 1.2753e+05 2023-02-16 03:44:47,953 INFO [main.py:643]
{rank 0/100} MD step = 260600 step time: 00:00:00.021286 Performance: 313.674 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:48,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260600 26060 40.7 -39367 4460.7 -43828 -43828 -0.34312 0.52672 0.17028 1.2759e+05 2023-02-16 03:44:50,673 INFO [main.py:643]
{rank 0/100} MD step = 260700 step time: 00:00:00.020571 Performance: 313.676 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:44:51,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260700 26070 40.447 -39379 4433 -43812 -43812 -0.3421 0.5272 0.17138 1.2763e+05 2023-02-16 03:44:53,337 INFO [main.py:643]
{rank 0/100} MD step = 260800 step time: 00:00:00.020431 Performance: 313.680 ns/day 0.077 hours/ns 36.306 steps/s 2023-02-16 03:44:53,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260800 26080 40.056 -39493 4390.2 -43883 -43883 -0.34249 0.5275 0.17123 1.2767e+05 2023-02-16 03:44:55,977 INFO [main.py:643]
{rank 0/100} MD step = 260900 step time: 00:00:00.020422 Performance: 313.685 ns/day 0.077 hours/ns 36.306 steps/s 2023-02-16 03:44:56,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260900 26090 39.816 -39519 4363.9 -43883 -43883 -0.34196 0.52673 0.17153 1.2772e+05 2023-02-16 03:44:58,699 INFO [main.py:643]
{rank 0/100} MD step = 261000 step time: 00:00:00.020589 Performance: 313.686 ns/day 0.077 hours/ns 36.306 steps/s 2023-02-16 03:44:59,710 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261000 26100 40.527 -39364 4441.8 -43805 -43805 -0.34313 0.5262 0.17208 1.2777e+05 2023-02-16 03:45:01,754 INFO [main.py:643]
{rank 0/100} MD step = 261100 step time: 00:00:00.020490 Performance: 313.673 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:45:02,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261100 26110 40.175 -39466 4403.2 -43869 -43869 -0.34256 0.52602 0.173 1.2781e+05 2023-02-16 03:45:04,468 INFO [main.py:643]
{rank 0/100} MD step = 261200 step time: 00:00:00.020322 Performance: 313.675 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:45:05,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261200 26120 39.819 -39478 4364.2 -43842 -43842 -0.34431 0.52662 0.17379 1.2787e+05 2023-02-16 03:45:07,230 INFO [main.py:643]
{rank 0/100} MD step = 261300 step time: 00:00:00.020472 Performance: 313.675 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:45:07,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261300 26130 39.944 -39400 4377.9 -43778 -43778 -0.34427 0.52673 0.17561 1.2793e+05 2023-02-16 03:45:09,934 INFO [main.py:643]
{rank 0/100} MD step = 261400 step time: 00:00:00.020391 Performance: 313.677 ns/day 0.077 hours/ns 36.305 steps/s 2023-02-16 03:45:10,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261400 26140 40.053 -39407 4389.8 -43796 -43796 -0.3459 0.52641 0.17546 1.2798e+05 2023-02-16 03:45:12,573 INFO [main.py:643]
{rank 0/100} MD step = 261500 step time: 00:00:00.020493 Performance: 313.682 ns/day 0.077 hours/ns 36.306 steps/s 2023-02-16 03:45:13,259 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261500 26150 39.517 -39521 4331.2 -43852 -43852 -0.34562 0.52672 0.17587 1.2802e+05 2023-02-16 03:45:15,292 INFO [main.py:643]
{rank 0/100} MD step = 261600 step time: 00:00:00.020394 Performance: 313.683 ns/day 0.077 hours/ns 36.306 steps/s 2023-02-16 03:45:16,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261600 26160 40.457 -39420 4434.2 -43854 -43854 -0.3454 0.52687 0.17624 1.2807e+05 2023-02-16 03:45:18,030 INFO [main.py:643]
{rank 0/100} MD step = 261700 step time: 00:00:00.020635 Performance: 313.684 ns/day 0.077 hours/ns 36.306 steps/s 2023-02-16 03:45:19,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261700 26170 39.489 -39513 4328.1 -43841 -43841 -0.34568 0.52677 0.17554 1.2812e+05 2023-02-16 03:45:21,951 INFO [main.py:643]
{rank 0/100} MD step = 261800 step time: 00:00:00.020407 Performance: 313.633 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:45:22,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261800 26180 39.923 -39446 4375.6 -43822 -43822 -0.34502 0.52645 0.17721 1.2818e+05 2023-02-16 03:45:24,597 INFO [main.py:643]
{rank 0/100} MD step = 261900 step time: 00:00:00.020743 Performance: 313.638 ns/day 0.077 hours/ns 36.301 steps/s 2023-02-16 03:45:25,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261900 26190 40.895 -39403 4482.1 -43885 -43885 -0.34614 0.5261 0.17704 1.2823e+05 2023-02-16 03:45:27,458 INFO [main.py:643]
{rank 0/100} MD step = 262000 step time: 00:00:00.020508 Performance: 313.633 ns/day 0.077 hours/ns 36.300 steps/s 2023-02-16 03:45:30,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262000 26200 40.485 -39396 4437.2 -43833 -43833 -0.34743 0.52611 0.17699 1.2827e+05 2023-02-16 03:45:32,294 INFO [main.py:643]
{rank 0/100} MD step = 262100 step time: 00:00:00.020543 Performance: 313.543 ns/day 0.077 hours/ns 36.290 steps/s 2023-02-16 03:45:32,929 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262100 26210 39.88 -39404 4370.9 -43775 -43775 -0.34863 0.52586 0.1774 1.2833e+05 2023-02-16 03:45:34,962 INFO [main.py:643]
{rank 0/100} MD step = 262200 step time: 00:00:00.020471 Performance: 313.547 ns/day 0.077 hours/ns 36.290 steps/s 2023-02-16 03:45:35,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262200 26220 39.632 -39473 4343.7 -43816 -43816 -0.34872 0.52571 0.17761 1.2838e+05 2023-02-16 03:45:37,889 INFO [main.py:643]
{rank 0/100} MD step = 262300 step time: 00:00:00.020533 Performance: 313.539 ns/day 0.077 hours/ns 36.289 steps/s 2023-02-16 03:45:38,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262300 26230 39.983 -39409 4382.2 -43792 -43792 -0.34983 0.52546 0.17723 1.2842e+05 2023-02-16 03:45:40,630 INFO [main.py:643]
{rank 0/100} MD step = 262400 step time: 00:00:00.020488 Performance: 313.540 ns/day 0.077 hours/ns 36.289 steps/s 2023-02-16 03:45:41,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262400 26240 40.34 -39417 4421.3 -43838 -43838 -0.34867 0.52601 0.17689 1.2848e+05 2023-02-16 03:45:43,445 INFO [main.py:643]
{rank 0/100} MD step = 262500 step time: 00:00:00.020528 Performance: 313.537 ns/day 0.077 hours/ns 36.289 steps/s 2023-02-16 03:45:44,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262500 26250 40.302 -39377 4417.2 -43794 -43794 -0.34943 0.52582 0.17764 1.2853e+05 2023-02-16 03:45:46,254 INFO [main.py:643]
{rank 0/100} MD step = 262600 step time: 00:00:00.020408 Performance: 313.535 ns/day 0.077 hours/ns 36.289 steps/s 2023-02-16 03:45:46,844 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262600 26260 40.363 -39472 4423.9 -43895 -43895 -0.34768 0.52659 0.17671 1.2858e+05 2023-02-16 03:45:49,037 INFO [main.py:643]
{rank 0/100} MD step = 262700 step time: 00:00:00.020574 Performance: 313.534 ns/day 0.077 hours/ns 36.289 steps/s 2023-02-16 03:45:49,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262700 26270 40.139 -39345 4399.3 -43744 -43744 -0.34725 0.52681 0.17656 1.2863e+05 2023-02-16 03:45:51,977 INFO [main.py:643]
{rank 0/100} MD step = 262800 step time: 00:00:00.020648 Performance: 313.526 ns/day 0.077 hours/ns 36.288 steps/s 2023-02-16 03:45:52,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262800 26280 40.141 -39439 4399.5 -43838 -43838 -0.34682 0.52672 0.17747 1.2868e+05 2023-02-16 03:45:54,590 INFO [main.py:643]
{rank 0/100} MD step = 262900 step time: 00:00:00.020416 Performance: 313.532 ns/day 0.077 hours/ns 36.288 steps/s 2023-02-16 03:45:55,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262900 26290 39.847 -39386 4367.3 -43753 -43753 -0.34605 0.52739 0.17869 1.2873e+05 2023-02-16 03:45:57,384 INFO [main.py:643]
{rank 0/100} MD step = 263000 step time: 00:00:00.020667 Performance: 313.530 ns/day 0.077 hours/ns 36.288 steps/s 2023-02-16 03:45:57,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263000 26300 40.399 -39447 4427.7 -43875 -43875 -0.34609 0.52715 0.17946 1.2877e+05 2023-02-16 03:46:00,174 INFO [main.py:643]
{rank 0/100} MD step = 263100 step time: 00:00:00.020404 Performance: 313.529 ns/day 0.077 hours/ns 36.288 steps/s 2023-02-16 03:46:00,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263100 26310 39.85 -39474 4367.6 -43841 -43841 -0.34684 0.52738 0.17985 1.2883e+05 2023-02-16 03:46:02,921 INFO [main.py:643]
{rank 0/100} MD step = 263200 step time: 00:00:00.020511 Performance: 313.529 ns/day 0.077 hours/ns 36.288 steps/s 2023-02-16 03:46:04,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263200 26320 40.63 -39382 4453.1 -43835 -43835 -0.34621 0.52748 0.17879 1.2889e+05 2023-02-16 03:46:06,646 INFO [main.py:643]
{rank 0/100} MD step = 263300 step time: 00:00:00.020391 Performance: 313.487 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:46:07,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263300 26330 39.773 -39522 4359.2 -43881 -43881 -0.34559 0.52742 0.17776 1.2895e+05 2023-02-16 03:46:09,525 INFO [main.py:643]
{rank 0/100} MD step = 263400 step time: 00:00:00.020672 Performance: 313.482 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:46:10,153 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263400 26340 40.038 -39442 4388.2 -43830 -43830 -0.34652 0.52757 0.17694 1.2899e+05 2023-02-16 03:46:12,313 INFO [main.py:643]
{rank 0/100} MD step = 263500 step time: 00:00:00.020540 Performance: 313.481 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:46:14,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263500 26350 39.648 -39469 4345.5 -43814 -43814 -0.34623 0.52833 0.1778 1.2904e+05 2023-02-16 03:46:16,553 INFO [main.py:643]
{rank 0/100} MD step = 263600 step time: 00:00:00.020502 Performance: 313.417 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 03:46:17,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263600 26360 40.76 -39320 4467.3 -43787 -43787 -0.34615 0.52756 0.17776 1.2908e+05 2023-02-16 03:46:19,445 INFO [main.py:643]
{rank 0/100} MD step = 263700 step time: 00:00:00.020565 Performance: 313.411 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:46:20,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263700 26370 39.83 -39461 4365.4 -43826 -43826 -0.34613 0.52747 0.17831 1.2913e+05 2023-02-16 03:46:22,194 INFO [main.py:643]
{rank 0/100} MD step = 263800 step time: 00:00:00.020598 Performance: 313.411 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:46:22,819 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263800 26380 39.635 -39496 4344 -43840 -43840 -0.34671 0.52789 0.17826 1.2919e+05 2023-02-16 03:46:24,855 INFO [main.py:643]
{rank 0/100} MD step = 263900 step time: 00:00:00.020473 Performance: 313.415 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 03:46:27,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263900 26390 40.054 -39422 4390 -43812 -43812 -0.34712 0.52783 0.17955 1.2922e+05 2023-02-16 03:46:29,126 INFO [main.py:643]
{rank 0/100} MD step = 264000 step time: 00:00:00.020547 Performance: 313.350 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 03:46:29,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264000 26400 40.208 -39427 4406.8 -43834 -43834 -0.34632 0.52772 0.17921 1.2925e+05 2023-02-16 03:46:31,846 INFO [main.py:643]
{rank 0/100} MD step = 264100 step time: 00:00:00.020535 Performance: 313.352 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 03:46:34,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264100 26410 40.082 -39501 4393.1 -43894 -43894 -0.34497 0.52808 0.1799 1.2931e+05 2023-02-16 03:46:36,292 INFO [main.py:643]
{rank 0/100} MD step = 264200 step time: 00:00:00.020367 Performance: 313.279 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:46:37,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264200 26420 40.104 -39422 4395.4 -43817 -43817 -0.3439 0.52826 0.1803 1.2935e+05 2023-02-16 03:46:39,094 INFO [main.py:643]
{rank 0/100} MD step = 264300 step time: 00:00:00.020460 Performance: 313.277 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:46:39,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264300 26430 40.318 -39441 4418.9 -43860 -43860 -0.34526 0.52829 0.17998 1.294e+05 2023-02-16 03:46:41,791 INFO [main.py:643]
{rank 0/100} MD step = 264400 step time: 00:00:00.020359 Performance: 313.280 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:46:42,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264400 26440 40.292 -39479 4416 -43895 -43895 -0.34659 0.5291 0.1795 1.2945e+05 2023-02-16 03:46:44,466 INFO [main.py:643]
{rank 0/100} MD step = 264500 step time: 00:00:00.020517 Performance: 313.283 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:46:44,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264500 26450 40.118 -39420 4396.9 -43817 -43817 -0.34617 0.53003 0.17904 1.2951e+05 2023-02-16 03:46:47,262 INFO [main.py:643]
{rank 0/100} MD step = 264600 step time: 00:00:00.020435 Performance: 313.282 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:46:48,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264600 26460 39.932 -39407 4376.6 -43783 -43783 -0.3455 0.53101 0.17942 1.2955e+05 2023-02-16 03:46:50,148 INFO [main.py:643]
{rank 0/100} MD step = 264700 step time: 00:00:00.020414 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:46:50,883 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264700 26470 39.993 -39573 4383.3 -43957 -43957 -0.34648 0.53123 0.17936 1.2958e+05 2023-02-16 03:46:52,983 INFO [main.py:643]
{rank 0/100} MD step = 264800 step time: 00:00:00.020503 Performance: 313.273 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:46:53,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264800 26480 39.751 -39479 4356.8 -43836 -43836 -0.34608 0.53104 0.17932 1.2963e+05 2023-02-16 03:46:55,686 INFO [main.py:643]
{rank 0/100} MD step = 264900 step time: 00:00:00.020622 Performance: 313.275 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:46:56,341 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264900 26490 40.238 -39449 4410.1 -43859 -43859 -0.34502 0.53119 0.17949 1.2968e+05 2023-02-16 03:46:58,383 INFO [main.py:643]
{rank 0/100} MD step = 265000 step time: 00:00:00.021779 Performance: 313.278 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:46:58,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265000 26500 40.242 -39416 4410.5 -43826 -43826 -0.34497 0.53082 0.17949 1.2974e+05 2023-02-16 03:47:01,055 INFO [main.py:643]
{rank 0/100} MD step = 265100 step time: 00:00:00.020475 Performance: 313.282 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:47:01,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265100 26510 40.352 -39397 4422.6 -43819 -43819 -0.34594 0.53176 0.17885 1.2978e+05 2023-02-16 03:47:04,055 INFO [main.py:643]
{rank 0/100} MD step = 265200 step time: 00:00:00.020525 Performance: 313.271 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:47:04,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265200 26520 40.006 -39502 4384.7 -43887 -43887 -0.34559 0.53192 0.17794 1.2983e+05 2023-02-16 03:47:06,766 INFO [main.py:643]
{rank 0/100} MD step = 265300 step time: 00:00:00.020489 Performance: 313.273 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:47:07,253 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265300 26530 39.859 -39483 4368.6 -43852 -43852 -0.34634 0.53218 0.17866 1.2986e+05 2023-02-16 03:47:09,467 INFO [main.py:643]
{rank 0/100} MD step = 265400 step time: 00:00:00.020502 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:47:09,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265400 26540 40.753 -39353 4466.6 -43819 -43819 -0.34742 0.53307 0.18002 1.2993e+05 2023-02-16 03:47:12,131 INFO [main.py:643]
{rank 0/100} MD step = 265500 step time: 00:00:00.020554 Performance: 313.280 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:47:12,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265500 26550 40.336 -39387 4420.9 -43808 -43808 -0.34697 0.53279 0.1791 1.3e+05 2023-02-16 03:47:14,862 INFO [main.py:643]
{rank 0/100} MD step = 265600 step time: 00:00:00.020442 Performance: 313.281 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:47:15,555 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265600 26560 39.621 -39566 4342.5 -43909 -43909 -0.34845 0.53306 0.17923 1.3002e+05 2023-02-16 03:47:17,599 INFO [main.py:643]
{rank 0/100} MD step = 265700 step time: 00:00:00.020513 Performance: 313.282 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:47:18,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265700 26570 40.2 -39427 4406 -43833 -43833 -0.34863 0.53376 0.17831 1.3007e+05 2023-02-16 03:47:20,300 INFO [main.py:643]
{rank 0/100} MD step = 265800 step time: 00:00:00.020464 Performance: 313.284 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:47:20,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265800 26580 40.354 -39425 4422.9 -43848 -43848 -0.34831 0.53433 0.17824 1.3011e+05 2023-02-16 03:47:22,986 INFO [main.py:643]
{rank 0/100} MD step = 265900 step time: 00:00:00.020391 Performance: 313.287 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:47:23,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265900 26590 39.727 -39581 4354.1 -43936 -43936 -0.34945 0.5346 0.17751 1.3017e+05 2023-02-16 03:47:25,661 INFO [main.py:643]
{rank 0/100} MD step = 266000 step time: 00:00:00.020527 Performance: 313.291 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:47:26,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266000 26600 40.258 -39367 4412.4 -43779 -43779 -0.35089 0.53453 0.17719 1.3024e+05 2023-02-16 03:47:28,408 INFO [main.py:643]
{rank 0/100} MD step = 266100 step time: 00:00:00.020778 Performance: 313.291 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:47:28,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266100 26610 39.842 -39496 4366.7 -43862 -43862 -0.35068 0.53515 0.17696 1.3029e+05 2023-02-16 03:47:31,104 INFO [main.py:643]
{rank 0/100} MD step = 266200 step time: 00:00:00.020504 Performance: 313.294 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:47:31,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266200 26620 39.915 -39465 4374.8 -43839 -43839 -0.35232 0.53478 0.17776 1.3034e+05 2023-02-16 03:47:33,798 INFO [main.py:643]
{rank 0/100} MD step = 266300 step time: 00:00:00.020415 Performance: 313.297 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:47:34,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266300 26630 40.479 -39383 4436.5 -43819 -43819 -0.35194 0.53482 0.17675 1.3041e+05 2023-02-16 03:47:36,464 INFO [main.py:643]
{rank 0/100} MD step = 266400 step time: 00:00:00.020610 Performance: 313.301 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:47:37,170 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266400 26640 39.7 -39447 4351.1 -43798 -43798 -0.35109 0.53463 0.17652 1.3045e+05 2023-02-16 03:47:39,217 INFO [main.py:643]
{rank 0/100} MD step = 266500 step time: 00:00:00.020346 Performance: 313.301 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:47:39,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266500 26650 40.091 -39448 4394 -43842 -43842 -0.35015 0.53543 0.17653 1.305e+05 2023-02-16 03:47:41,925 INFO [main.py:643]
{rank 0/100} MD step = 266600 step time: 00:00:00.020491 Performance: 313.303 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:47:42,583 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266600 26660 39.954 -39487 4379 -43866 -43866 -0.34969 0.53565 0.17671 1.3055e+05 2023-02-16 03:47:44,618 INFO [main.py:643]
{rank 0/100} MD step = 266700 step time: 00:00:00.020645 Performance: 313.306 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:47:45,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266700 26670 39.68 -39544 4348.9 -43893 -43893 -0.35048 0.53498 0.17679 1.3061e+05 2023-02-16 03:47:47,343 INFO [main.py:643]
{rank 0/100} MD step = 266800 step time: 00:00:00.020457 Performance: 313.307 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:47:47,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266800 26680 40.358 -39484 4423.3 -43907 -43907 -0.34998 0.53426 0.17678 1.3066e+05 2023-02-16 03:47:50,064 INFO [main.py:643]
{rank 0/100} MD step = 266900 step time: 00:00:00.020608 Performance: 313.309 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:47:50,710 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266900 26690 39.361 -39485 4314 -43799 -43799 -0.35067 0.53449 0.17664 1.3071e+05 2023-02-16 03:47:52,763 INFO [main.py:643]
{rank 0/100} MD step = 267000 step time: 00:00:00.020643 Performance: 313.311 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:47:53,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267000 26700 39.687 -39408 4349.8 -43758 -43758 -0.35046 0.53479 0.17671 1.3076e+05 2023-02-16 03:47:55,451 INFO [main.py:643]
{rank 0/100} MD step = 267100 step time: 00:00:00.020472 Performance: 313.314 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:47:55,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267100 26710 40.246 -39547 4411 -43958 -43958 -0.35004 0.53521 0.17696 1.3079e+05 2023-02-16 03:47:58,137 INFO [main.py:643]
{rank 0/100} MD step = 267200 step time: 00:00:00.020448 Performance: 313.317 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 03:47:58,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267200 26720 39.638 -39541 4344.4 -43885 -43885 -0.34703 0.53533 0.17651 1.3086e+05 2023-02-16 03:48:00,864 INFO [main.py:643]
{rank 0/100} MD step = 267300 step time: 00:00:00.020433 Performance: 313.318 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 03:48:01,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267300 26730 40.083 -39465 4393.1 -43858 -43858 -0.34755 0.53481 0.17537 1.309e+05 2023-02-16 03:48:03,557 INFO [main.py:643]
{rank 0/100} MD step = 267400 step time: 00:00:00.020472 Performance: 313.321 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 03:48:04,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267400 26740 40.279 -39435 4414.7 -43850 -43850 -0.34844 0.53586 0.17464 1.3095e+05 2023-02-16 03:48:06,258 INFO [main.py:643]
{rank 0/100} MD step = 267500 step time: 00:00:00.020441 Performance: 313.324 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 03:48:06,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267500 26750 39.998 -39434 4383.9 -43818 -43818 -0.34897 0.53684 0.17464 1.31e+05 2023-02-16 03:48:08,910 INFO [main.py:643]
{rank 0/100} MD step = 267600 step time: 00:00:00.020396 Performance: 313.328 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 03:48:09,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267600 26760 39.582 -39486 4338.2 -43824 -43824 -0.3493 0.53665 0.17531 1.3106e+05 2023-02-16 03:48:11,605 INFO [main.py:643]
{rank 0/100} MD step = 267700 step time: 00:00:00.020494 Performance: 313.331 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 03:48:12,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267700 26770 40.779 -39299 4469.5 -43768 -43768 -0.35015 0.53712 0.17599 1.311e+05 2023-02-16 03:48:14,321 INFO [main.py:643]
{rank 0/100} MD step = 267800 step time: 00:00:00.020452 Performance: 313.332 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 03:48:14,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267800 26780 39.871 -39475 4369.9 -43844 -43844 -0.35035 0.53784 0.17643 1.3113e+05 2023-02-16 03:48:16,980 INFO [main.py:643]
{rank 0/100} MD step = 267900 step time: 00:00:00.020408 Performance: 313.337 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:17,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267900 26790 40.423 -39399 4430.4 -43830 -43830 -0.35262 0.53773 0.17742 1.312e+05 2023-02-16 03:48:19,674 INFO [main.py:643]
{rank 0/100} MD step = 268000 step time: 00:00:00.020504 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:20,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268000 26800 39.699 -39559 4351 -43910 -43910 -0.35309 0.53783 0.17863 1.3125e+05 2023-02-16 03:48:22,545 INFO [main.py:643]
{rank 0/100} MD step = 268100 step time: 00:00:00.020548 Performance: 313.335 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:23,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268100 26810 39.86 -39513 4368.7 -43882 -43882 -0.3537 0.53798 0.17849 1.313e+05 2023-02-16 03:48:25,232 INFO [main.py:643]
{rank 0/100} MD step = 268200 step time: 00:00:00.020565 Performance: 313.338 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:25,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268200 26820 40.724 -39326 4463.4 -43789 -43789 -0.35314 0.53766 0.17843 1.3135e+05 2023-02-16 03:48:27,976 INFO [main.py:643]
{rank 0/100} MD step = 268300 step time: 00:00:00.020573 Performance: 313.338 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:28,644 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268300 26830 40.286 -39365 4415.4 -43781 -43781 -0.35366 0.5382 0.178 1.3139e+05 2023-02-16 03:48:30,705 INFO [main.py:643]
{rank 0/100} MD step = 268400 step time: 00:00:00.020530 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:31,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268400 26840 39.795 -39497 4361.6 -43859 -43859 -0.35459 0.53815 0.17751 1.3145e+05 2023-02-16 03:48:33,565 INFO [main.py:643]
{rank 0/100} MD step = 268500 step time: 00:00:00.020508 Performance: 313.335 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:34,240 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268500 26850 40.013 -39438 4385.5 -43824 -43824 -0.35598 0.53897 0.17746 1.3151e+05 2023-02-16 03:48:36,287 INFO [main.py:643]
{rank 0/100} MD step = 268600 step time: 00:00:00.020490 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:37,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268600 26860 39.935 -39468 4377 -43845 -43845 -0.35631 0.53919 0.17719 1.3154e+05 2023-02-16 03:48:39,047 INFO [main.py:643]
{rank 0/100} MD step = 268700 step time: 00:00:00.020499 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:39,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268700 26870 39.831 -39472 4365.5 -43837 -43837 -0.35844 0.5399 0.17696 1.316e+05 2023-02-16 03:48:41,733 INFO [main.py:643]
{rank 0/100} MD step = 268800 step time: 00:00:00.020369 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:42,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268800 26880 40.204 -39458 4406.4 -43864 -43864 -0.35886 0.53917 0.17607 1.3163e+05 2023-02-16 03:48:44,412 INFO [main.py:643]
{rank 0/100} MD step = 268900 step time: 00:00:00.020441 Performance: 313.343 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 03:48:45,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268900 26890 39.934 -39429 4376.8 -43806 -43806 -0.36047 0.53912 0.17597 1.3168e+05 2023-02-16 03:48:47,178 INFO [main.py:643]
{rank 0/100} MD step = 269000 step time: 00:00:00.020421 Performance: 313.342 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 03:48:47,801 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269000 26900 39.964 -39465 4380.1 -43845 -43845 -0.35962 0.53953 0.17594 1.3174e+05 2023-02-16 03:48:49,884 INFO [main.py:643]
{rank 0/100} MD step = 269100 step time: 00:00:00.020398 Performance: 313.344 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 03:48:50,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269100 26910 39.944 -39403 4377.9 -43781 -43781 -0.35956 0.54012 0.17584 1.3179e+05 2023-02-16 03:48:52,591 INFO [main.py:643]
{rank 0/100} MD step = 269200 step time: 00:00:00.020609 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 03:48:53,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269200 26920 39.899 -39507 4373 -43880 -43880 -0.35832 0.54047 0.17578 1.3182e+05 2023-02-16 03:48:55,276 INFO [main.py:643]
{rank 0/100} MD step = 269300 step time: 00:00:00.020385 Performance: 313.350 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 03:48:55,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269300 26930 39.871 -39400 4369.9 -43770 -43770 -0.35844 0.5411 0.17561 1.3188e+05 2023-02-16 03:48:57,986 INFO [main.py:643]
{rank 0/100} MD step = 269400 step time: 00:00:00.020307 Performance: 313.352 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 03:48:58,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269400 26940 40.412 -39404 4429.2 -43833 -43833 -0.35926 0.54118 0.17563 1.3193e+05 2023-02-16 03:49:00,699 INFO [main.py:643]
{rank 0/100} MD step = 269500 step time: 00:00:00.020462 Performance: 313.354 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 03:49:01,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269500 26950 39.922 -39471 4375.5 -43847 -43847 -0.35833 0.54079 0.1764 1.3197e+05 2023-02-16 03:49:03,480 INFO [main.py:643]
{rank 0/100} MD step = 269600 step time: 00:00:00.020419 Performance: 313.353 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 03:49:03,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269600 26960 40.168 -39393 4402.5 -43796 -43796 -0.35921 0.54111 0.17646 1.3202e+05 2023-02-16 03:49:06,153 INFO [main.py:643]
{rank 0/100} MD step = 269700 step time: 00:00:00.020466 Performance: 313.356 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 03:49:06,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269700 26970 40.37 -39524 4424.6 -43948 -43948 -0.35975 0.54054 0.17645 1.3207e+05 2023-02-16 03:49:08,921 INFO [main.py:643]
{rank 0/100} MD step = 269800 step time: 00:00:00.020602 Performance: 313.356 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 03:49:09,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269800 26980 39.579 -39463 4337.9 -43801 -43801 -0.36011 0.54075 0.17736 1.3213e+05 2023-02-16 03:49:11,614 INFO [main.py:643]
{rank 0/100} MD step = 269900 step time: 00:00:00.020472 Performance: 313.358 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 03:49:12,281 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269900 26990 39.534 -39469 4333 -43802 -43802 -0.3606 0.54129 0.17763 1.3218e+05 2023-02-16 03:49:14,354 INFO [main.py:643]
{rank 0/100} MD step = 270000 step time: 00:00:00.020431 Performance: 313.359 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 03:49:15,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270000 27000 39.987 -39385 4382.6 -43768 -43768 -0.35999 0.54126 0.17752 1.3225e+05 2023-02-16 03:49:17,034 INFO [main.py:643]
{rank 0/100} MD step = 270100 step time: 00:00:00.020576 Performance: 313.362 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 03:49:17,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270100 27010 39.919 -39477 4375.1 -43852 -43852 -0.36016 0.54144 0.17807 1.323e+05 2023-02-16 03:49:19,762 INFO [main.py:643]
{rank 0/100} MD step = 270200 step time: 00:00:00.020353 Performance: 313.364 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 03:49:20,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270200 27020 40.553 -39407 4444.6 -43852 -43852 -0.35852 0.54192 0.17771 1.3236e+05 2023-02-16 03:49:22,458 INFO [main.py:643]
{rank 0/100} MD step = 270300 step time: 00:00:00.020495 Performance: 313.366 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 03:49:22,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270300 27030 40.648 -39321 4455.1 -43776 -43776 -0.35613 0.54206 0.17784 1.3241e+05 2023-02-16 03:49:25,180 INFO [main.py:643]
{rank 0/100} MD step = 270400 step time: 00:00:00.020507 Performance: 313.368 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 03:49:25,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270400 27040 40.094 -39468 4394.4 -43863 -43863 -0.35632 0.54155 0.17811 1.3243e+05 2023-02-16 03:49:27,957 INFO [main.py:643]
{rank 0/100} MD step = 270500 step time: 00:00:00.020480 Performance: 313.367 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 03:49:28,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270500 27050 39.995 -39546 4383.5 -43930 -43930 -0.35585 0.54165 0.1783 1.3249e+05 2023-02-16 03:49:30,691 INFO [main.py:643]
{rank 0/100} MD step = 270600 step time: 00:00:00.020493 Performance: 313.368 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 03:49:31,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270600 27060 40.269 -39369 4413.5 -43782 -43782 -0.3564 0.54218 0.17879 1.3253e+05 2023-02-16 03:49:33,386 INFO [main.py:643]
{rank 0/100} MD step = 270700 step time: 00:00:00.020378 Performance: 313.370 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 03:49:34,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270700 27070 39.702 -39505 4351.4 -43857 -43857 -0.35722 0.54221 0.17893 1.3258e+05 2023-02-16 03:49:36,042 INFO [main.py:643]
{rank 0/100} MD step = 270800 step time: 00:00:00.020515 Performance: 313.375 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 03:49:36,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270800 27080 39.764 -39454 4358.2 -43812 -43812 -0.35759 0.54251 0.18014 1.3263e+05 2023-02-16 03:49:38,761 INFO [main.py:643]
{rank 0/100} MD step = 270900 step time: 00:00:00.020435 Performance: 313.376 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 03:49:39,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270900 27090 40.065 -39488 4391.2 -43879 -43879 -0.35659 0.54227 0.18073 1.3268e+05 2023-02-16 03:49:41,434 INFO [main.py:643]
{rank 0/100} MD step = 271000 step time: 00:00:00.020490 Performance: 313.380 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 03:49:42,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271000 27100 40.031 -39471 4387.4 -43858 -43858 -0.35623 0.54251 0.18124 1.3273e+05 2023-02-16 03:49:44,111 INFO [main.py:643]
{rank 0/100} MD step = 271100 step time: 00:00:00.020514 Performance: 313.383 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 03:49:44,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271100 27110 40.112 -39339 4396.3 -43735 -43735 -0.35641 0.54309 0.18127 1.3279e+05 2023-02-16 03:49:46,822 INFO [main.py:643]
{rank 0/100} MD step = 271200 step time: 00:00:00.020499 Performance: 313.385 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 03:49:47,388 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271200 27120 40.421 -39334 4430.2 -43765 -43765 -0.35573 0.54286 0.18104 1.3283e+05 2023-02-16 03:49:49,554 INFO [main.py:643]
{rank 0/100} MD step = 271300 step time: 00:00:00.020612 Performance: 313.386 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:49:50,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271300 27130 39.827 -39476 4365.1 -43841 -43841 -0.35481 0.54282 0.18008 1.3288e+05 2023-02-16 03:49:52,276 INFO [main.py:643]
{rank 0/100} MD step = 271400 step time: 00:00:00.020521 Performance: 313.387 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:49:52,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271400 27140 40.739 -39401 4465 -43866 -43866 -0.35331 0.54259 0.17999 1.3293e+05 2023-02-16 03:49:55,008 INFO [main.py:643]
{rank 0/100} MD step = 271500 step time: 00:00:00.020789 Performance: 313.389 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:49:55,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271500 27150 39.506 -39530 4329.9 -43860 -43860 -0.35457 0.54354 0.17898 1.3299e+05 2023-02-16 03:49:57,825 INFO [main.py:643]
{rank 0/100} MD step = 271600 step time: 00:00:00.020440 Performance: 313.386 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:49:58,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271600 27160 39.816 -39510 4363.9 -43874 -43874 -0.35535 0.54352 0.17915 1.3302e+05 2023-02-16 03:50:00,550 INFO [main.py:643]
{rank 0/100} MD step = 271700 step time: 00:00:00.020376 Performance: 313.387 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:01,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271700 27170 40.28 -39446 4414.7 -43861 -43861 -0.35406 0.54364 0.17896 1.3307e+05 2023-02-16 03:50:03,289 INFO [main.py:643]
{rank 0/100} MD step = 271800 step time: 00:00:00.020444 Performance: 313.388 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:04,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271800 27180 39.505 -39439 4329.8 -43769 -43769 -0.35453 0.5444 0.17902 1.3313e+05 2023-02-16 03:50:06,104 INFO [main.py:643]
{rank 0/100} MD step = 271900 step time: 00:00:00.020409 Performance: 313.386 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 03:50:06,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271900 27190 40.193 -39553 4405.2 -43958 -43958 -0.35572 0.54399 0.17913 1.3316e+05 2023-02-16 03:50:08,843 INFO [main.py:643]
{rank 0/100} MD step = 272000 step time: 00:00:00.020451 Performance: 313.386 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:09,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272000 27200 39.683 -39539 4349.3 -43888 -43888 -0.35606 0.54374 0.17965 1.3323e+05 2023-02-16 03:50:11,562 INFO [main.py:643]
{rank 0/100} MD step = 272100 step time: 00:00:00.020375 Performance: 313.388 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:12,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272100 27210 40.43 -39395 4431.2 -43826 -43826 -0.35352 0.54399 0.17998 1.3328e+05 2023-02-16 03:50:14,260 INFO [main.py:643]
{rank 0/100} MD step = 272200 step time: 00:00:00.020551 Performance: 313.390 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:15,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272200 27220 39.515 -39453 4330.9 -43784 -43784 -0.35406 0.54423 0.17927 1.3333e+05 2023-02-16 03:50:17,129 INFO [main.py:643]
{rank 0/100} MD step = 272300 step time: 00:00:00.020495 Performance: 313.386 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:17,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272300 27230 40.42 -39512 4430.1 -43942 -43942 -0.35307 0.54428 0.17891 1.3335e+05 2023-02-16 03:50:19,784 INFO [main.py:643]
{rank 0/100} MD step = 272400 step time: 00:00:00.020847 Performance: 313.390 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:20,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272400 27240 39.404 -39584 4318.7 -43903 -43903 -0.35322 0.54403 0.17935 1.334e+05 2023-02-16 03:50:22,536 INFO [main.py:643]
{rank 0/100} MD step = 272500 step time: 00:00:00.020358 Performance: 313.390 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:23,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272500 27250 39.846 -39452 4367.2 -43819 -43819 -0.35128 0.54344 0.17917 1.3346e+05 2023-02-16 03:50:25,285 INFO [main.py:643]
{rank 0/100} MD step = 272600 step time: 00:00:00.020527 Performance: 313.391 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:26,045 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272600 27260 39.626 -39583 4343 -43926 -43926 -0.35102 0.54421 0.17978 1.3351e+05 2023-02-16 03:50:28,075 INFO [main.py:643]
{rank 0/100} MD step = 272700 step time: 00:00:00.020605 Performance: 313.389 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:28,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272700 27270 39.948 -39485 4378.3 -43864 -43864 -0.3485 0.54434 0.1794 1.3357e+05 2023-02-16 03:50:30,801 INFO [main.py:643]
{rank 0/100} MD step = 272800 step time: 00:00:00.020545 Performance: 313.390 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:31,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272800 27280 39.964 -39486 4380.1 -43866 -43866 -0.34736 0.54337 0.17944 1.3362e+05 2023-02-16 03:50:33,541 INFO [main.py:643]
{rank 0/100} MD step = 272900 step time: 00:00:00.020509 Performance: 313.391 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 03:50:33,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272900 27290 40.064 -39398 4391 -43789 -43789 -0.34877 0.54403 0.17981 1.3368e+05 2023-02-16 03:50:36,192 INFO [main.py:643]
{rank 0/100} MD step = 273000 step time: 00:00:00.020369 Performance: 313.396 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 03:50:36,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273000 27300 39.944 -39462 4377.9 -43840 -43840 -0.34932 0.54462 0.17965 1.3372e+05 2023-02-16 03:50:38,869 INFO [main.py:643]
{rank 0/100} MD step = 273100 step time: 00:00:00.020635 Performance: 313.399 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 03:50:39,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273100 27310 40.297 -39516 4416.6 -43933 -43933 -0.34893 0.54467 0.17926 1.3377e+05 2023-02-16 03:50:41,556 INFO [main.py:643]
{rank 0/100} MD step = 273200 step time: 00:00:00.020628 Performance: 313.402 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 03:50:42,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273200 27320 40.183 -39378 4404.1 -43782 -43782 -0.34878 0.54394 0.17942 1.3382e+05 2023-02-16 03:50:44,257 INFO [main.py:643]
{rank 0/100} MD step = 273300 step time: 00:00:00.020368 Performance: 313.404 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:50:44,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273300 27330 39.802 -39495 4362.3 -43858 -43858 -0.35011 0.54453 0.17919 1.3387e+05 2023-02-16 03:50:46,927 INFO [main.py:643]
{rank 0/100} MD step = 273400 step time: 00:00:00.020469 Performance: 313.408 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:50:47,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273400 27340 40.58 -39302 4447.6 -43749 -43749 -0.3508 0.54488 0.17921 1.3393e+05 2023-02-16 03:50:49,644 INFO [main.py:643]
{rank 0/100} MD step = 273500 step time: 00:00:00.020381 Performance: 313.409 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:50:50,385 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273500 27350 39.627 -39577 4343.1 -43921 -43921 -0.35162 0.54521 0.17917 1.3398e+05 2023-02-16 03:50:52,413 INFO [main.py:643]
{rank 0/100} MD step = 273600 step time: 00:00:00.020462 Performance: 313.409 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:50:52,826 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273600 27360 39.864 -39400 4369.2 -43769 -43769 -0.35399 0.54555 0.17956 1.3402e+05 2023-02-16 03:50:55,127 INFO [main.py:643]
{rank 0/100} MD step = 273700 step time: 00:00:00.020447 Performance: 313.411 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:50:55,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273700 27370 39.403 -39487 4318.6 -43806 -43806 -0.35387 0.54628 0.1797 1.3406e+05 2023-02-16 03:50:57,945 INFO [main.py:643]
{rank 0/100} MD step = 273800 step time: 00:00:00.020419 Performance: 313.408 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:50:58,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273800 27380 39.592 -39546 4339.3 -43885 -43885 -0.3537 0.54598 0.17925 1.341e+05 2023-02-16 03:51:00,747 INFO [main.py:643]
{rank 0/100} MD step = 273900 step time: 00:00:00.020399 Performance: 313.406 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:51:01,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273900 27390 40.237 -39368 4410.1 -43778 -43778 -0.35344 0.54702 0.17971 1.3416e+05 2023-02-16 03:51:03,599 INFO [main.py:643]
{rank 0/100} MD step = 274000 step time: 00:00:00.020605 Performance: 313.402 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 03:51:03,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274000 27400 40.352 -39362 4422.6 -43785 -43785 -0.35441 0.54685 0.1795 1.3419e+05 2023-02-16 03:51:06,320 INFO [main.py:643]
{rank 0/100} MD step = 274100 step time: 00:00:00.020440 Performance: 313.404 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:51:06,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274100 27410 39.714 -39506 4352.7 -43858 -43858 -0.35522 0.5462 0.1804 1.3423e+05 2023-02-16 03:51:08,974 INFO [main.py:643]
{rank 0/100} MD step = 274200 step time: 00:00:00.020417 Performance: 313.408 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:51:09,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274200 27420 40.055 -39462 4390 -43853 -43853 -0.35446 0.54643 0.17963 1.343e+05 2023-02-16 03:51:11,655 INFO [main.py:643]
{rank 0/100} MD step = 274300 step time: 00:00:00.020655 Performance: 313.411 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 03:51:12,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274300 27430 39.577 -39493 4337.7 -43831 -43831 -0.35493 0.54746 0.18001 1.3434e+05 2023-02-16 03:51:14,327 INFO [main.py:643]
{rank 0/100} MD step = 274400 step time: 00:00:00.020484 Performance: 313.415 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 03:51:14,953 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274400 27440 39.779 -39420 4359.8 -43780 -43780 -0.35448 0.54805 0.18002 1.344e+05 2023-02-16 03:51:17,045 INFO [main.py:643]
{rank 0/100} MD step = 274500 step time: 00:00:00.020550 Performance: 313.416 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 03:51:17,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274500 27450 40.185 -39349 4404.3 -43753 -43753 -0.3548 0.54897 0.18035 1.3446e+05 2023-02-16 03:51:19,763 INFO [main.py:643]
{rank 0/100} MD step = 274600 step time: 00:00:00.020338 Performance: 313.418 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 03:51:20,422 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274600 27460 39.987 -39500 4382.7 -43883 -43883 -0.35415 0.55041 0.18051 1.3449e+05 2023-02-16 03:51:22,455 INFO [main.py:643]
{rank 0/100} MD step = 274700 step time: 00:00:00.020580 Performance: 313.421 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 03:51:22,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274700 27470 39.903 -39397 4373.4 -43770 -43770 -0.3553 0.55045 0.18046 1.3452e+05 2023-02-16 03:51:25,106 INFO [main.py:643]
{rank 0/100} MD step = 274800 step time: 00:00:00.020563 Performance: 313.425 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 03:51:25,945 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274800 27480 40.372 -39407 4424.8 -43832 -43832 -0.35416 0.55045 0.1811 1.3458e+05 2023-02-16 03:51:27,977 INFO [main.py:643]
{rank 0/100} MD step = 274900 step time: 00:00:00.020517 Performance: 313.420 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 03:51:28,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274900 27490 40.164 -39443 4402 -43845 -43845 -0.35423 0.55102 0.18049 1.3463e+05 2023-02-16 03:51:30,819 INFO [main.py:643]
{rank 0/100} MD step = 275000 step time: 00:00:00.020530 Performance: 313.417 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 03:51:31,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275000 27500 39.902 -39417 4373.3 -43790 -43790 -0.35417 0.55119 0.1806 1.3468e+05 2023-02-16 03:51:33,517 INFO [main.py:643]
{rank 0/100} MD step = 275100 step time: 00:00:00.020709 Performance: 313.419 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 03:51:34,170 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275100 27510 39.805 -39545 4362.7 -43908 -43908 -0.35533 0.55176 0.18146 1.3473e+05 2023-02-16 03:51:36,199 INFO [main.py:643]
{rank 0/100} MD step = 275200 step time: 00:00:00.020418 Performance: 313.422 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 03:51:36,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275200 27520 40.194 -39426 4405.3 -43831 -43831 -0.35602 0.55152 0.18136 1.3478e+05 2023-02-16 03:51:38,937 INFO [main.py:643]
{rank 0/100} MD step = 275300 step time: 00:00:00.020595 Performance: 313.423 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 03:51:39,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275300 27530 40.801 -39393 4471.9 -43864 -43864 -0.35485 0.55213 0.1819 1.3482e+05 2023-02-16 03:51:41,641 INFO [main.py:643]
{rank 0/100} MD step = 275400 step time: 00:00:00.020550 Performance: 313.425 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 03:51:42,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275400 27540 39.992 -39411 4383.1 -43794 -43794 -0.35446 0.55178 0.18226 1.3487e+05 2023-02-16 03:51:44,338 INFO [main.py:643]
{rank 0/100} MD step = 275500 step time: 00:00:00.020534 Performance: 313.428 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 03:51:44,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275500 27550 40.12 -39394 4397.2 -43791 -43791 -0.35533 0.55154 0.18184 1.3493e+05 2023-02-16 03:51:47,012 INFO [main.py:643]
{rank 0/100} MD step = 275600 step time: 00:00:00.020765 Performance: 313.431 ns/day 0.077 hours/ns 36.277 steps/s 2023-02-16 03:51:47,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275600 27560 39.978 -39480 4381.6 -43861 -43861 -0.35588 0.55194 0.18138 1.3498e+05 2023-02-16 03:51:49,721 INFO [main.py:643]
{rank 0/100} MD step = 275700 step time: 00:00:00.020684 Performance: 313.433 ns/day 0.077 hours/ns 36.277 steps/s 2023-02-16 03:51:50,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275700 27570 39.821 -39379 4364.4 -43743 -43743 -0.35516 0.55216 0.18024 1.3503e+05 2023-02-16 03:51:52,371 INFO [main.py:643]
{rank 0/100} MD step = 275800 step time: 00:00:00.020566 Performance: 313.437 ns/day 0.077 hours/ns 36.277 steps/s 2023-02-16 03:51:52,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275800 27580 39.697 -39468 4350.8 -43819 -43819 -0.35471 0.55302 0.18056 1.3508e+05 2023-02-16 03:51:55,097 INFO [main.py:643]
{rank 0/100} MD step = 275900 step time: 00:00:00.020599 Performance: 313.439 ns/day 0.077 hours/ns 36.278 steps/s 2023-02-16 03:51:55,769 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275900 27590 39.955 -39515 4379.1 -43894 -43894 -0.35512 0.55416 0.18134 1.3512e+05 2023-02-16 03:51:57,800 INFO [main.py:643]
{rank 0/100} MD step = 276000 step time: 00:00:00.020524 Performance: 313.441 ns/day 0.077 hours/ns 36.278 steps/s 2023-02-16 03:51:58,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276000 27600 39.498 -39473 4329.1 -43802 -43802 -0.35661 0.55466 0.1807 1.3518e+05 2023-02-16 03:52:00,488 INFO [main.py:643]
{rank 0/100} MD step = 276100 step time: 00:00:00.020307 Performance: 313.444 ns/day 0.077 hours/ns 36.278 steps/s 2023-02-16 03:52:01,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276100 27610 40.485 -39494 4437.2 -43931 -43931 -0.35661 0.55471 0.18148 1.3522e+05 2023-02-16 03:52:03,180 INFO [main.py:643]
{rank 0/100} MD step = 276200 step time: 00:00:00.020424 Performance: 313.446 ns/day 0.077 hours/ns 36.279 steps/s 2023-02-16 03:52:03,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276200 27620 40.045 -39387 4388.9 -43775 -43775 -0.35719 0.55456 0.18222 1.3528e+05 2023-02-16 03:52:05,908 INFO [main.py:643]
{rank 0/100} MD step = 276300 step time: 00:00:00.020552 Performance: 313.448 ns/day 0.077 hours/ns 36.279 steps/s 2023-02-16 03:52:06,486 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276300 27630 39.516 -39480 4331.1 -43811 -43811 -0.35773 0.55462 0.18157 1.3533e+05 2023-02-16 03:52:08,569 INFO [main.py:643]
{rank 0/100} MD step = 276400 step time: 00:00:00.020560 Performance: 313.451 ns/day 0.077 hours/ns 36.279 steps/s 2023-02-16 03:52:09,082 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276400 27640 40.481 -39365 4436.7 -43801 -43801 -0.35764 0.55563 0.18063 1.3537e+05 2023-02-16 03:52:11,285 INFO [main.py:643]
{rank 0/100} MD step = 276500 step time: 00:00:00.020421 Performance: 313.453 ns/day 0.077 hours/ns 36.279 steps/s 2023-02-16 03:52:11,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276500 27650 39.636 -39440 4344.1 -43785 -43785 -0.35789 0.5564 0.18069 1.3543e+05 2023-02-16 03:52:14,036 INFO [main.py:643]
{rank 0/100} MD step = 276600 step time: 00:00:00.020608 Performance: 313.453 ns/day 0.077 hours/ns 36.279 steps/s 2023-02-16 03:52:14,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276600 27660 40.002 -39422 4384.3 -43806 -43806 -0.3578 0.55604 0.18057 1.3548e+05 2023-02-16 03:52:16,721 INFO [main.py:643]
{rank 0/100} MD step = 276700 step time: 00:00:00.020632 Performance: 313.456 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:52:17,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276700 27670 39.622 -39450 4342.6 -43793 -43793 -0.35726 0.55571 0.18112 1.3551e+05 2023-02-16 03:52:19,425 INFO [main.py:643]
{rank 0/100} MD step = 276800 step time: 00:00:00.020581 Performance: 313.458 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:52:19,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276800 27680 40.767 -39363 4468.1 -43831 -43831 -0.35678 0.55645 0.1826 1.3554e+05 2023-02-16 03:52:22,144 INFO [main.py:643]
{rank 0/100} MD step = 276900 step time: 00:00:00.020625 Performance: 313.460 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:52:22,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276900 27690 40.289 -39426 4415.7 -43842 -43842 -0.35688 0.55589 0.18181 1.3559e+05 2023-02-16 03:52:24,774 INFO [main.py:643]
{rank 0/100} MD step = 277000 step time: 00:00:00.020464 Performance: 313.465 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:52:25,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277000 27700 40.018 -39581 4386.1 -43967 -43967 -0.35882 0.55752 0.18205 1.3564e+05 2023-02-16 03:52:27,615 INFO [main.py:643]
{rank 0/100} MD step = 277100 step time: 00:00:00.020423 Performance: 313.462 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:52:28,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277100 27710 39.715 -39480 4352.8 -43833 -43833 -0.35753 0.55742 0.18229 1.357e+05 2023-02-16 03:52:30,345 INFO [main.py:643]
{rank 0/100} MD step = 277200 step time: 00:00:00.020430 Performance: 313.463 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:52:30,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277200 27720 39.846 -39523 4367.2 -43890 -43890 -0.35704 0.55742 0.18186 1.3574e+05 2023-02-16 03:52:33,047 INFO [main.py:643]
{rank 0/100} MD step = 277300 step time: 00:00:00.020795 Performance: 313.465 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:52:33,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277300 27730 39.539 -39544 4333.6 -43878 -43878 -0.35915 0.55796 0.1819 1.358e+05 2023-02-16 03:52:35,796 INFO [main.py:643]
{rank 0/100} MD step = 277400 step time: 00:00:00.020418 Performance: 313.465 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:52:36,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277400 27740 39.527 -39492 4332.2 -43824 -43824 -0.35914 0.55822 0.18199 1.3583e+05 2023-02-16 03:52:38,591 INFO [main.py:643]
{rank 0/100} MD step = 277500 step time: 00:00:00.020480 Performance: 313.464 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:52:39,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277500 27750 39.41 -39461 4319.3 -43780 -43780 -0.35785 0.55837 0.18151 1.3591e+05 2023-02-16 03:52:41,311 INFO [main.py:643]
{rank 0/100} MD step = 277600 step time: 00:00:00.020539 Performance: 313.465 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:52:41,942 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277600 27760 40.768 -39339 4468.2 -43807 -43807 -0.35732 0.55858 0.18169 1.3595e+05 2023-02-16 03:52:43,983 INFO [main.py:643]
{rank 0/100} MD step = 277700 step time: 00:00:00.020562 Performance: 313.469 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:52:44,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277700 27770 40.163 -39470 4401.9 -43872 -43872 -0.35761 0.55802 0.18115 1.3599e+05 2023-02-16 03:52:46,655 INFO [main.py:643]
{rank 0/100} MD step = 277800 step time: 00:00:00.020460 Performance: 313.472 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:52:47,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277800 27780 40.353 -39305 4422.8 -43728 -43728 -0.35628 0.55923 0.18108 1.3604e+05 2023-02-16 03:52:49,360 INFO [main.py:643]
{rank 0/100} MD step = 277900 step time: 00:00:00.020454 Performance: 313.474 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:52:50,013 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277900 27790 39.949 -39511 4378.5 -43890 -43890 -0.35524 0.55927 0.18148 1.3609e+05 2023-02-16 03:52:52,194 INFO [main.py:643]
{rank 0/100} MD step = 278000 step time: 00:00:00.020356 Performance: 313.471 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:52:52,810 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278000 27800 40.462 -39336 4434.7 -43770 -43770 -0.35594 0.55933 0.18234 1.3613e+05 2023-02-16 03:52:54,862 INFO [main.py:643]
{rank 0/100} MD step = 278100 step time: 00:00:00.020498 Performance: 313.475 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:52:55,492 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278100 27810 39.743 -39526 4355.9 -43882 -43882 -0.35831 0.55904 0.18304 1.362e+05 2023-02-16 03:52:57,539 INFO [main.py:643]
{rank 0/100} MD step = 278200 step time: 00:00:00.020547 Performance: 313.478 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:52:58,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278200 27820 40.587 -39454 4448.3 -43902 -43902 -0.35899 0.5598 0.18253 1.3624e+05 2023-02-16 03:53:00,423 INFO [main.py:643]
{rank 0/100} MD step = 278300 step time: 00:00:00.020454 Performance: 313.473 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:01,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278300 27830 40.072 -39408 4392 -43800 -43800 -0.35912 0.56022 0.18248 1.3629e+05 2023-02-16 03:53:03,242 INFO [main.py:643]
{rank 0/100} MD step = 278400 step time: 00:00:00.020459 Performance: 313.470 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:53:04,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278400 27840 40.113 -39432 4396.4 -43828 -43828 -0.35912 0.5611 0.18291 1.3634e+05 2023-02-16 03:53:06,192 INFO [main.py:643]
{rank 0/100} MD step = 278500 step time: 00:00:00.020560 Performance: 313.462 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:53:06,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278500 27850 40.217 -39463 4407.8 -43870 -43870 -0.36 0.56099 0.18258 1.3638e+05 2023-02-16 03:53:08,875 INFO [main.py:643]
{rank 0/100} MD step = 278600 step time: 00:00:00.020529 Performance: 313.465 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:53:09,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278600 27860 40.086 -39443 4393.5 -43837 -43837 -0.35951 0.56064 0.18299 1.3641e+05 2023-02-16 03:53:11,601 INFO [main.py:643]
{rank 0/100} MD step = 278700 step time: 00:00:00.020509 Performance: 313.466 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:53:12,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278700 27870 40.09 -39423 4394 -43817 -43817 -0.35965 0.56038 0.182 1.3645e+05 2023-02-16 03:53:14,253 INFO [main.py:643]
{rank 0/100} MD step = 278800 step time: 00:00:00.020424 Performance: 313.471 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:53:14,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278800 27880 39.588 -39532 4338.9 -43870 -43870 -0.36099 0.56032 0.18222 1.365e+05 2023-02-16 03:53:16,972 INFO [main.py:643]
{rank 0/100} MD step = 278900 step time: 00:00:00.020424 Performance: 313.472 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:53:17,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278900 27890 39.631 -39537 4343.6 -43881 -43881 -0.36343 0.5603 0.18297 1.3656e+05 2023-02-16 03:53:19,689 INFO [main.py:643]
{rank 0/100} MD step = 279000 step time: 00:00:00.020590 Performance: 313.474 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:20,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279000 27900 40.283 -39374 4415.1 -43789 -43789 -0.36216 0.56074 0.18307 1.366e+05 2023-02-16 03:53:22,372 INFO [main.py:643]
{rank 0/100} MD step = 279100 step time: 00:00:00.020637 Performance: 313.477 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:22,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279100 27910 39.242 -39587 4300.9 -43888 -43888 -0.36162 0.56087 0.18253 1.3664e+05 2023-02-16 03:53:25,113 INFO [main.py:643]
{rank 0/100} MD step = 279200 step time: 00:00:00.020479 Performance: 313.477 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:25,600 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279200 27920 40.025 -39386 4386.7 -43773 -43773 -0.36185 0.56082 0.18115 1.367e+05 2023-02-16 03:53:27,917 INFO [main.py:643]
{rank 0/100} MD step = 279300 step time: 00:00:00.020554 Performance: 313.475 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:28,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279300 27930 39.96 -39486 4379.7 -43865 -43865 -0.36205 0.56083 0.18129 1.3674e+05 2023-02-16 03:53:30,695 INFO [main.py:643]
{rank 0/100} MD step = 279400 step time: 00:00:00.020424 Performance: 313.475 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:31,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279400 27940 39.801 -39450 4362.3 -43812 -43812 -0.36233 0.56157 0.18068 1.3679e+05 2023-02-16 03:53:33,824 INFO [main.py:643]
{rank 0/100} MD step = 279500 step time: 00:00:00.020514 Performance: 313.459 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:53:34,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279500 27950 39.663 -39441 4347.1 -43788 -43788 -0.36255 0.56203 0.18111 1.3685e+05 2023-02-16 03:53:36,531 INFO [main.py:643]
{rank 0/100} MD step = 279600 step time: 00:00:00.020444 Performance: 313.461 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:53:37,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279600 27960 39.887 -39507 4371.6 -43879 -43879 -0.36105 0.56266 0.18192 1.3689e+05 2023-02-16 03:53:39,257 INFO [main.py:643]
{rank 0/100} MD step = 279700 step time: 00:00:00.020590 Performance: 313.463 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:53:39,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279700 27970 40.522 -39423 4441.3 -43865 -43865 -0.36013 0.56161 0.18185 1.3693e+05 2023-02-16 03:53:41,909 INFO [main.py:643]
{rank 0/100} MD step = 279800 step time: 00:00:00.020421 Performance: 313.467 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:53:42,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279800 27980 39.363 -39487 4314.2 -43802 -43802 -0.36022 0.56217 0.18319 1.37e+05 2023-02-16 03:53:44,601 INFO [main.py:643]
{rank 0/100} MD step = 279900 step time: 00:00:00.020637 Performance: 313.469 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:53:45,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279900 27990 40.524 -39313 4441.5 -43755 -43755 -0.36202 0.56317 0.18362 1.3706e+05 2023-02-16 03:53:47,292 INFO [main.py:643]
{rank 0/100} MD step = 280000 step time: 00:00:00.020530 Performance: 313.472 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:53:47,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280000 28000 39.867 -39498 4369.5 -43867 -43867 -0.36228 0.56415 0.18295 1.3711e+05 2023-02-16 03:53:50,020 INFO [main.py:643]
{rank 0/100} MD step = 280100 step time: 00:00:00.020454 Performance: 313.473 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:50,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280100 28010 40.406 -39394 4428.6 -43823 -43823 -0.36077 0.56416 0.18332 1.3714e+05 2023-02-16 03:53:52,713 INFO [main.py:643]
{rank 0/100} MD step = 280200 step time: 00:00:00.020419 Performance: 313.476 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:53,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280200 28020 40.161 -39464 4401.7 -43865 -43865 -0.36004 0.56421 0.1837 1.372e+05 2023-02-16 03:53:55,485 INFO [main.py:643]
{rank 0/100} MD step = 280300 step time: 00:00:00.020497 Performance: 313.475 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:56,092 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280300 28030 40.17 -39358 4402.6 -43761 -43761 -0.35855 0.56464 0.18391 1.3725e+05 2023-02-16 03:53:58,225 INFO [main.py:643]
{rank 0/100} MD step = 280400 step time: 00:00:00.021869 Performance: 313.476 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:53:58,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280400 28040 40.093 -39472 4394.2 -43866 -43866 -0.35922 0.56487 0.18454 1.373e+05 2023-02-16 03:54:00,951 INFO [main.py:643]
{rank 0/100} MD step = 280500 step time: 00:00:00.020442 Performance: 313.477 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:01,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280500 28050 39.952 -39488 4378.8 -43867 -43867 -0.3591 0.5658 0.18407 1.3734e+05 2023-02-16 03:54:03,716 INFO [main.py:643]
{rank 0/100} MD step = 280600 step time: 00:00:00.020431 Performance: 313.477 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:04,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280600 28060 39.485 -39487 4327.6 -43814 -43814 -0.35819 0.56584 0.18452 1.374e+05 2023-02-16 03:54:06,463 INFO [main.py:643]
{rank 0/100} MD step = 280700 step time: 00:00:00.020447 Performance: 313.477 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:07,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280700 28070 40.723 -39355 4463.2 -43818 -43818 -0.35791 0.56649 0.18504 1.3743e+05 2023-02-16 03:54:09,247 INFO [main.py:643]
{rank 0/100} MD step = 280800 step time: 00:00:00.020557 Performance: 313.476 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:09,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280800 28080 40.707 -39368 4461.5 -43830 -43830 -0.35832 0.56651 0.18533 1.3748e+05 2023-02-16 03:54:11,964 INFO [main.py:643]
{rank 0/100} MD step = 280900 step time: 00:00:00.020375 Performance: 313.478 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:12,653 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280900 28090 39.332 -39529 4310.9 -43840 -43840 -0.3568 0.56634 0.18527 1.3754e+05 2023-02-16 03:54:14,722 INFO [main.py:643]
{rank 0/100} MD step = 281000 step time: 00:00:00.020347 Performance: 313.477 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:15,423 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281000 28100 40.241 -39385 4410.4 -43795 -43795 -0.35625 0.56687 0.18626 1.3759e+05 2023-02-16 03:54:17,452 INFO [main.py:643]
{rank 0/100} MD step = 281100 step time: 00:00:00.020289 Performance: 313.479 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:18,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281100 28110 39.947 -39411 4378.2 -43789 -43789 -0.35736 0.56669 0.18692 1.3763e+05 2023-02-16 03:54:20,167 INFO [main.py:643]
{rank 0/100} MD step = 281200 step time: 00:00:00.020377 Performance: 313.480 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:20,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281200 28120 40.094 -39451 4394.3 -43846 -43846 -0.35895 0.56685 0.18778 1.377e+05 2023-02-16 03:54:22,884 INFO [main.py:643]
{rank 0/100} MD step = 281300 step time: 00:00:00.020615 Performance: 313.482 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:23,388 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281300 28130 39.885 -39475 4371.4 -43846 -43846 -0.36036 0.56794 0.1887 1.3775e+05 2023-02-16 03:54:25,567 INFO [main.py:643]
{rank 0/100} MD step = 281400 step time: 00:00:00.020381 Performance: 313.485 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:26,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281400 28140 39.51 -39510 4330.4 -43841 -43841 -0.35944 0.56757 0.18837 1.378e+05 2023-02-16 03:54:28,389 INFO [main.py:643]
{rank 0/100} MD step = 281500 step time: 00:00:00.021841 Performance: 313.482 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:29,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281500 28150 39.735 -39468 4355 -43823 -43823 -0.35988 0.56813 0.1883 1.3784e+05 2023-02-16 03:54:31,190 INFO [main.py:643]
{rank 0/100} MD step = 281600 step time: 00:00:00.020483 Performance: 313.480 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:54:31,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281600 28160 40.153 -39455 4400.8 -43856 -43856 -0.35931 0.56844 0.18873 1.3788e+05 2023-02-16 03:54:33,885 INFO [main.py:643]
{rank 0/100} MD step = 281700 step time: 00:00:00.020525 Performance: 313.483 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:34,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281700 28170 39.923 -39475 4375.6 -43851 -43851 -0.35942 0.56841 0.18896 1.3795e+05 2023-02-16 03:54:36,601 INFO [main.py:643]
{rank 0/100} MD step = 281800 step time: 00:00:00.020601 Performance: 313.484 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:37,247 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281800 28180 39.551 -39595 4334.8 -43930 -43930 -0.35932 0.56953 0.1894 1.38e+05 2023-02-16 03:54:39,341 INFO [main.py:643]
{rank 0/100} MD step = 281900 step time: 00:00:00.020454 Performance: 313.485 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:39,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281900 28190 40.021 -39453 4386.3 -43840 -43840 -0.35836 0.57062 0.189 1.3808e+05 2023-02-16 03:54:42,027 INFO [main.py:643]
{rank 0/100} MD step = 282000 step time: 00:00:00.020488 Performance: 313.488 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:42,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282000 28200 40.36 -39366 4423.5 -43790 -43790 -0.35871 0.57146 0.18952 1.3812e+05 2023-02-16 03:54:44,799 INFO [main.py:643]
{rank 0/100} MD step = 282100 step time: 00:00:00.020530 Performance: 313.487 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:45,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282100 28210 39.776 -39523 4359.5 -43882 -43882 -0.35812 0.57188 0.18936 1.3818e+05 2023-02-16 03:54:47,514 INFO [main.py:643]
{rank 0/100} MD step = 282200 step time: 00:00:00.020600 Performance: 313.489 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:54:48,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282200 28220 40.108 -39409 4395.9 -43805 -43805 -0.3579 0.57175 0.1906 1.3822e+05 2023-02-16 03:54:50,247 INFO [main.py:643]
{rank 0/100} MD step = 282300 step time: 00:00:00.020518 Performance: 313.490 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:54:50,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282300 28230 39.576 -39422 4337.6 -43760 -43760 -0.35892 0.57246 0.19068 1.3826e+05 2023-02-16 03:54:52,942 INFO [main.py:643]
{rank 0/100} MD step = 282400 step time: 00:00:00.020428 Performance: 313.492 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:54:53,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282400 28240 40.081 -39430 4393 -43823 -43823 -0.35761 0.57416 0.19093 1.3831e+05 2023-02-16 03:54:55,641 INFO [main.py:643]
{rank 0/100} MD step = 282500 step time: 00:00:00.020516 Performance: 313.495 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:54:56,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282500 28250 39.872 -39499 4370 -43869 -43869 -0.35672 0.57476 0.19123 1.3835e+05 2023-02-16 03:54:58,355 INFO [main.py:643]
{rank 0/100} MD step = 282600 step time: 00:00:00.021727 Performance: 313.496 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:54:59,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282600 28260 39.472 -39532 4326.1 -43859 -43859 -0.35555 0.57516 0.19115 1.384e+05 2023-02-16 03:55:01,063 INFO [main.py:643]
{rank 0/100} MD step = 282700 step time: 00:00:00.020331 Performance: 313.498 ns/day 0.077 hours/ns 36.285 steps/s 2023-02-16 03:55:01,597 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282700 28270 39.75 -39522 4356.6 -43878 -43878 -0.35475 0.57491 0.19173 1.3844e+05 2023-02-16 03:55:03,785 INFO [main.py:643]
{rank 0/100} MD step = 282800 step time: 00:00:00.020353 Performance: 313.499 ns/day 0.077 hours/ns 36.285 steps/s 2023-02-16 03:55:04,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282800 28280 40.152 -39470 4400.7 -43870 -43870 -0.35404 0.57559 0.19131 1.3849e+05 2023-02-16 03:55:06,728 INFO [main.py:643]
{rank 0/100} MD step = 282900 step time: 00:00:00.020370 Performance: 313.492 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:07,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282900 28290 40.499 -39386 4438.7 -43825 -43825 -0.35486 0.5763 0.19113 1.3855e+05 2023-02-16 03:55:09,498 INFO [main.py:643]
{rank 0/100} MD step = 283000 step time: 00:00:00.020541 Performance: 313.491 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:10,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283000 28300 40.55 -39380 4444.3 -43824 -43824 -0.35313 0.57761 0.19019 1.3861e+05 2023-02-16 03:55:12,274 INFO [main.py:643]
{rank 0/100} MD step = 283100 step time: 00:00:00.020632 Performance: 313.491 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:13,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283100 28310 39.895 -39393 4372.6 -43766 -43766 -0.35339 0.57714 0.18995 1.3865e+05 2023-02-16 03:55:15,298 INFO [main.py:643]
{rank 0/100} MD step = 283200 step time: 00:00:00.020791 Performance: 313.480 ns/day 0.077 hours/ns 36.282 steps/s 2023-02-16 03:55:15,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283200 28320 40.812 -39445 4473 -43918 -43918 -0.35266 0.57716 0.18997 1.3868e+05 2023-02-16 03:55:18,027 INFO [main.py:643]
{rank 0/100} MD step = 283300 step time: 00:00:00.020687 Performance: 313.481 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:55:18,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283300 28330 40.257 -39376 4412.2 -43788 -43788 -0.35257 0.57728 0.19 1.3874e+05 2023-02-16 03:55:20,721 INFO [main.py:643]
{rank 0/100} MD step = 283400 step time: 00:00:00.020539 Performance: 313.483 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:55:21,388 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283400 28340 40.068 -39491 4391.5 -43883 -43883 -0.35312 0.57818 0.19047 1.3879e+05 2023-02-16 03:55:23,435 INFO [main.py:643]
{rank 0/100} MD step = 283500 step time: 00:00:00.020780 Performance: 313.485 ns/day 0.077 hours/ns 36.283 steps/s 2023-02-16 03:55:24,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283500 28350 40.653 -39394 4455.7 -43849 -43849 -0.35269 0.57843 0.18964 1.3884e+05 2023-02-16 03:55:26,065 INFO [main.py:643]
{rank 0/100} MD step = 283600 step time: 00:00:00.020434 Performance: 313.490 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:26,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283600 28360 39.82 -39417 4364.3 -43781 -43781 -0.354 0.57901 0.18888 1.3889e+05 2023-02-16 03:55:28,794 INFO [main.py:643]
{rank 0/100} MD step = 283700 step time: 00:00:00.020416 Performance: 313.491 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:29,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283700 28370 40.243 -39498 4410.7 -43908 -43908 -0.35448 0.57918 0.19004 1.3893e+05 2023-02-16 03:55:31,492 INFO [main.py:643]
{rank 0/100} MD step = 283800 step time: 00:00:00.020602 Performance: 313.494 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:32,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283800 28380 39.891 -39457 4372.1 -43829 -43829 -0.35402 0.57962 0.18971 1.3899e+05 2023-02-16 03:55:34,166 INFO [main.py:643]
{rank 0/100} MD step = 283900 step time: 00:00:00.020491 Performance: 313.497 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:34,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283900 28390 39.511 -39594 4330.4 -43924 -43924 -0.35416 0.57961 0.19028 1.3902e+05 2023-02-16 03:55:36,883 INFO [main.py:643]
{rank 0/100} MD step = 284000 step time: 00:00:00.020457 Performance: 313.498 ns/day 0.077 hours/ns 36.285 steps/s 2023-02-16 03:55:37,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284000 28400 39.883 -39475 4371.2 -43846 -43846 -0.35326 0.57942 0.18985 1.3906e+05 2023-02-16 03:55:39,766 INFO [main.py:643]
{rank 0/100} MD step = 284100 step time: 00:00:00.020476 Performance: 313.493 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:40,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284100 28410 40.2 -39368 4405.9 -43774 -43774 -0.35319 0.57971 0.19041 1.3912e+05 2023-02-16 03:55:42,590 INFO [main.py:643]
{rank 0/100} MD step = 284200 step time: 00:00:00.020593 Performance: 313.491 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:43,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284200 28420 40.035 -39459 4387.9 -43847 -43847 -0.35225 0.57969 0.19031 1.3917e+05 2023-02-16 03:55:45,283 INFO [main.py:643]
{rank 0/100} MD step = 284300 step time: 00:00:00.020684 Performance: 313.493 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:46,055 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284300 28430 40.386 -39383 4426.4 -43809 -43809 -0.35171 0.57921 0.19074 1.3922e+05 2023-02-16 03:55:48,092 INFO [main.py:643]
{rank 0/100} MD step = 284400 step time: 00:00:00.020552 Performance: 313.491 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:48,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284400 28440 40.195 -39476 4405.4 -43882 -43882 -0.35012 0.5803 0.19082 1.3927e+05 2023-02-16 03:55:50,788 INFO [main.py:643]
{rank 0/100} MD step = 284500 step time: 00:00:00.020568 Performance: 313.493 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:51,385 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284500 28450 39.933 -39427 4376.7 -43804 -43804 -0.35027 0.57986 0.19036 1.3932e+05 2023-02-16 03:55:53,507 INFO [main.py:643]
{rank 0/100} MD step = 284600 step time: 00:00:00.020538 Performance: 313.495 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:54,149 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284600 28460 39.797 -39505 4361.8 -43866 -43866 -0.35125 0.58083 0.19037 1.3937e+05 2023-02-16 03:55:56,262 INFO [main.py:643]
{rank 0/100} MD step = 284700 step time: 00:00:00.020477 Performance: 313.495 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:56,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284700 28470 40.579 -39329 4447.5 -43777 -43777 -0.35306 0.58058 0.19042 1.3942e+05 2023-02-16 03:55:59,019 INFO [main.py:643]
{rank 0/100} MD step = 284800 step time: 00:00:00.020351 Performance: 313.495 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:55:59,583 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284800 28480 40.113 -39450 4396.5 -43846 -43846 -0.35347 0.58036 0.18972 1.3947e+05 2023-02-16 03:56:01,757 INFO [main.py:643]
{rank 0/100} MD step = 284900 step time: 00:00:00.020461 Performance: 313.496 ns/day 0.077 hours/ns 36.284 steps/s 2023-02-16 03:56:02,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284900 28490 40.466 -39391 4435.1 -43826 -43826 -0.35496 0.58007 0.19051 1.3953e+05 2023-02-16 03:56:05,206 INFO [main.py:643]
{rank 0/100} MD step = 285000 step time: 00:00:00.020494 Performance: 313.468 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:56:05,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285000 28500 39.875 -39552 4370.3 -43923 -43923 -0.35362 0.58025 0.191 1.3956e+05 2023-02-16 03:56:08,042 INFO [main.py:643]
{rank 0/100} MD step = 285100 step time: 00:00:00.020523 Performance: 313.465 ns/day 0.077 hours/ns 36.281 steps/s 2023-02-16 03:56:08,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285100 28510 40.162 -39511 4401.8 -43913 -43913 -0.35354 0.57885 0.19084 1.396e+05 2023-02-16 03:56:10,928 INFO [main.py:643]
{rank 0/100} MD step = 285200 step time: 00:00:00.020454 Performance: 313.460 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:56:11,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285200 28520 40.017 -39470 4385.9 -43855 -43855 -0.35332 0.57836 0.1909 1.3965e+05 2023-02-16 03:56:13,707 INFO [main.py:643]
{rank 0/100} MD step = 285300 step time: 00:00:00.020452 Performance: 313.459 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:56:14,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285300 28530 39.752 -39524 4356.9 -43881 -43881 -0.35484 0.57897 0.19133 1.3971e+05 2023-02-16 03:56:16,437 INFO [main.py:643]
{rank 0/100} MD step = 285400 step time: 00:00:00.020492 Performance: 313.460 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:56:17,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285400 28540 40.268 -39422 4413.4 -43835 -43835 -0.35453 0.57958 0.19129 1.3976e+05 2023-02-16 03:56:19,224 INFO [main.py:643]
{rank 0/100} MD step = 285500 step time: 00:00:00.020422 Performance: 313.459 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:56:19,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285500 28550 40.253 -39434 4411.8 -43845 -43845 -0.35291 0.57973 0.19093 1.3981e+05 2023-02-16 03:56:21,990 INFO [main.py:643]
{rank 0/100} MD step = 285600 step time: 00:00:00.020447 Performance: 313.458 ns/day 0.077 hours/ns 36.280 steps/s 2023-02-16 03:56:24,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285600 28560 40.464 -39430 4434.9 -43865 -43865 -0.35267 0.58003 0.19056 1.3984e+05 2023-02-16 03:56:27,136 INFO [main.py:643]
{rank 0/100} MD step = 285700 step time: 00:00:00.020562 Performance: 313.363 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 03:56:27,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285700 28570 40.058 -39404 4390.4 -43795 -43795 -0.35351 0.58039 0.19064 1.3992e+05 2023-02-16 03:56:29,888 INFO [main.py:643]
{rank 0/100} MD step = 285800 step time: 00:00:00.020370 Performance: 313.363 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 03:56:32,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285800 28580 40.074 -39396 4392.2 -43788 -43788 -0.3536 0.58078 0.19035 1.3996e+05 2023-02-16 03:56:35,092 INFO [main.py:643]
{rank 0/100} MD step = 285900 step time: 00:00:00.020595 Performance: 313.266 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:56:35,923 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285900 28590 39.722 -39455 4353.6 -43809 -43809 -0.3544 0.58034 0.18963 1.4e+05 2023-02-16 03:56:37,967 INFO [main.py:643]
{rank 0/100} MD step = 286000 step time: 00:00:00.020552 Performance: 313.261 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 03:56:38,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286000 28600 39.161 -39546 4292.1 -43838 -43838 -0.35533 0.58047 0.19006 1.4004e+05 2023-02-16 03:56:40,680 INFO [main.py:643]
{rank 0/100} MD step = 286100 step time: 00:00:00.020700 Performance: 313.263 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 03:56:41,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286100 28610 39.532 -39509 4332.8 -43841 -43841 -0.35413 0.58094 0.19083 1.4009e+05 2023-02-16 03:56:43,406 INFO [main.py:643]
{rank 0/100} MD step = 286200 step time: 00:00:00.020545 Performance: 313.264 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 03:56:44,005 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286200 28620 39.784 -39480 4360.4 -43841 -43841 -0.35423 0.58089 0.19207 1.4014e+05 2023-02-16 03:56:46,139 INFO [main.py:643]
{rank 0/100} MD step = 286300 step time: 00:00:00.020498 Performance: 313.265 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:56:46,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286300 28630 39.437 -39464 4322.4 -43786 -43786 -0.35415 0.58144 0.19253 1.4019e+05 2023-02-16 03:56:48,849 INFO [main.py:643]
{rank 0/100} MD step = 286400 step time: 00:00:00.020563 Performance: 313.267 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:56:49,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286400 28640 39.833 -39474 4365.8 -43840 -43840 -0.35187 0.58159 0.19207 1.4023e+05 2023-02-16 03:56:51,551 INFO [main.py:643]
{rank 0/100} MD step = 286500 step time: 00:00:00.020553 Performance: 313.270 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:56:52,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286500 28650 40.577 -39387 4447.3 -43834 -43834 -0.35177 0.58183 0.19285 1.4028e+05 2023-02-16 03:56:54,188 INFO [main.py:643]
{rank 0/100} MD step = 286600 step time: 00:00:00.020545 Performance: 313.274 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:56:54,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286600 28660 39.927 -39410 4376.1 -43786 -43786 -0.3521 0.58228 0.1926 1.4034e+05 2023-02-16 03:56:56,974 INFO [main.py:643]
{rank 0/100} MD step = 286700 step time: 00:00:00.020690 Performance: 313.273 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:56:57,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286700 28670 40.059 -39453 4390.5 -43843 -43843 -0.35302 0.58137 0.19235 1.404e+05 2023-02-16 03:56:59,670 INFO [main.py:643]
{rank 0/100} MD step = 286800 step time: 00:00:00.020442 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:57:00,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286800 28680 39.641 -39499 4344.8 -43844 -43844 -0.35392 0.58157 0.19263 1.4044e+05 2023-02-16 03:57:02,433 INFO [main.py:643]
{rank 0/100} MD step = 286900 step time: 00:00:00.020464 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:57:03,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286900 28690 39.617 -39470 4342.1 -43812 -43812 -0.3545 0.58186 0.1933 1.4049e+05 2023-02-16 03:57:05,147 INFO [main.py:643]
{rank 0/100} MD step = 287000 step time: 00:00:00.020390 Performance: 313.277 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:57:05,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287000 28700 39.25 -39585 4301.8 -43887 -43887 -0.35373 0.58218 0.19346 1.4053e+05 2023-02-16 03:57:08,039 INFO [main.py:643]
{rank 0/100} MD step = 287100 step time: 00:00:00.020509 Performance: 313.272 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:57:08,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287100 28710 40.355 -39428 4422.9 -43850 -43850 -0.35413 0.58289 0.19344 1.4058e+05 2023-02-16 03:57:10,778 INFO [main.py:643]
{rank 0/100} MD step = 287200 step time: 00:00:00.020544 Performance: 313.273 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:57:11,365 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287200 28720 39.599 -39550 4340.1 -43890 -43890 -0.35341 0.58329 0.19383 1.4063e+05 2023-02-16 03:57:13,533 INFO [main.py:643]
{rank 0/100} MD step = 287300 step time: 00:00:00.020526 Performance: 313.273 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:57:14,103 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287300 28730 40.017 -39452 4386 -43837 -43837 -0.35375 0.58323 0.19392 1.4069e+05 2023-02-16 03:57:16,205 INFO [main.py:643]
{rank 0/100} MD step = 287400 step time: 00:00:00.020462 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:57:16,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287400 28740 40.093 -39405 4394.2 -43799 -43799 -0.35503 0.58335 0.19464 1.4073e+05 2023-02-16 03:57:18,906 INFO [main.py:643]
{rank 0/100} MD step = 287500 step time: 00:00:00.020462 Performance: 313.279 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:57:19,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287500 28750 40.394 -39359 4427.2 -43786 -43786 -0.3542 0.58262 0.19372 1.4079e+05 2023-02-16 03:57:21,592 INFO [main.py:643]
{rank 0/100} MD step = 287600 step time: 00:00:00.020551 Performance: 313.281 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:57:22,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287600 28760 39.661 -39483 4346.9 -43830 -43830 -0.35337 0.5827 0.19443 1.4083e+05 2023-02-16 03:57:24,310 INFO [main.py:643]
{rank 0/100} MD step = 287700 step time: 00:00:00.020521 Performance: 313.283 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:24,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287700 28770 39.923 -39531 4375.6 -43907 -43907 -0.35421 0.58313 0.19531 1.4087e+05 2023-02-16 03:57:27,127 INFO [main.py:643]
{rank 0/100} MD step = 287800 step time: 00:00:00.020496 Performance: 313.281 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:57:27,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287800 28780 40.394 -39334 4427.3 -43762 -43762 -0.35522 0.58447 0.19497 1.4095e+05 2023-02-16 03:57:29,892 INFO [main.py:643]
{rank 0/100} MD step = 287900 step time: 00:00:00.020567 Performance: 313.280 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:57:30,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287900 28790 39.677 -39535 4348.7 -43884 -43884 -0.35581 0.58499 0.19422 1.4099e+05 2023-02-16 03:57:32,588 INFO [main.py:643]
{rank 0/100} MD step = 288000 step time: 00:00:00.020383 Performance: 313.283 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:33,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288000 28800 39.602 -39483 4340.4 -43824 -43824 -0.35698 0.58486 0.19413 1.4102e+05 2023-02-16 03:57:35,331 INFO [main.py:643]
{rank 0/100} MD step = 288100 step time: 00:00:00.020487 Performance: 313.283 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:36,037 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288100 28810 39.776 -39459 4359.5 -43818 -43818 -0.35726 0.58649 0.19331 1.4108e+05 2023-02-16 03:57:38,073 INFO [main.py:643]
{rank 0/100} MD step = 288200 step time: 00:00:00.020485 Performance: 313.284 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:38,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288200 28820 40.645 -39325 4454.7 -43780 -43780 -0.35765 0.58727 0.19472 1.4115e+05 2023-02-16 03:57:40,851 INFO [main.py:643]
{rank 0/100} MD step = 288300 step time: 00:00:00.020492 Performance: 313.283 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:41,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288300 28830 39.608 -39489 4341.1 -43830 -43830 -0.35877 0.58726 0.19534 1.412e+05 2023-02-16 03:57:43,560 INFO [main.py:643]
{rank 0/100} MD step = 288400 step time: 00:00:00.020473 Performance: 313.285 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:44,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288400 28840 39.432 -39463 4321.8 -43785 -43785 -0.35993 0.58777 0.19548 1.4122e+05 2023-02-16 03:57:46,327 INFO [main.py:643]
{rank 0/100} MD step = 288500 step time: 00:00:00.020493 Performance: 313.285 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:46,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288500 28850 39.694 -39526 4350.5 -43877 -43877 -0.35964 0.58817 0.19536 1.4128e+05 2023-02-16 03:57:49,012 INFO [main.py:643]
{rank 0/100} MD step = 288600 step time: 00:00:00.020611 Performance: 313.288 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:49,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288600 28860 40.173 -39408 4403 -43811 -43811 -0.35932 0.58838 0.19411 1.4133e+05 2023-02-16 03:57:51,703 INFO [main.py:643]
{rank 0/100} MD step = 288700 step time: 00:00:00.020474 Performance: 313.290 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:57:52,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288700 28870 39.75 -39481 4356.6 -43838 -43838 -0.35952 0.58914 0.19339 1.4136e+05 2023-02-16 03:57:54,445 INFO [main.py:643]
{rank 0/100} MD step = 288800 step time: 00:00:00.020608 Performance: 313.291 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:57:55,147 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288800 28880 39.491 -39536 4328.3 -43864 -43864 -0.36103 0.58935 0.19313 1.4141e+05 2023-02-16 03:57:57,176 INFO [main.py:643]
{rank 0/100} MD step = 288900 step time: 00:00:00.020544 Performance: 313.292 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:57:57,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288900 28890 39.688 -39450 4349.8 -43799 -43799 -0.36194 0.58941 0.19401 1.4147e+05 2023-02-16 03:57:59,887 INFO [main.py:643]
{rank 0/100} MD step = 289000 step time: 00:00:00.020418 Performance: 313.294 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:58:00,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289000 28900 38.998 -39572 4274.2 -43846 -43846 -0.36216 0.5896 0.19362 1.4152e+05 2023-02-16 03:58:02,808 INFO [main.py:643]
{rank 0/100} MD step = 289100 step time: 00:00:00.020615 Performance: 313.287 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:03,343 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289100 28910 40.222 -39375 4408.4 -43783 -43783 -0.3641 0.58918 0.19384 1.4157e+05 2023-02-16 03:58:05,480 INFO [main.py:643]
{rank 0/100} MD step = 289200 step time: 00:00:00.020453 Performance: 313.291 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:06,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289200 28920 40.476 -39408 4436.2 -43845 -43845 -0.36292 0.58945 0.19393 1.4162e+05 2023-02-16 03:58:08,602 INFO [main.py:643]
{rank 0/100} MD step = 289300 step time: 00:00:00.020475 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:58:09,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289300 28930 40.246 -39398 4411 -43809 -43809 -0.3625 0.5901 0.19369 1.4167e+05 2023-02-16 03:58:11,468 INFO [main.py:643]
{rank 0/100} MD step = 289400 step time: 00:00:00.020411 Performance: 313.272 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:58:12,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289400 28940 39.9 -39426 4373 -43799 -43799 -0.36324 0.5908 0.19291 1.4172e+05 2023-02-16 03:58:14,257 INFO [main.py:643]
{rank 0/100} MD step = 289500 step time: 00:00:00.020537 Performance: 313.271 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 03:58:14,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289500 28950 39.177 -39565 4293.9 -43859 -43859 -0.36239 0.59111 0.19239 1.4177e+05 2023-02-16 03:58:16,947 INFO [main.py:643]
{rank 0/100} MD step = 289600 step time: 00:00:00.020735 Performance: 313.274 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:58:17,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289600 28960 40.024 -39401 4386.7 -43788 -43788 -0.36295 0.59127 0.19249 1.4181e+05 2023-02-16 03:58:19,647 INFO [main.py:643]
{rank 0/100} MD step = 289700 step time: 00:00:00.020533 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:58:20,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289700 28970 39.818 -39526 4364.1 -43890 -43890 -0.36414 0.59141 0.19321 1.4185e+05 2023-02-16 03:58:22,313 INFO [main.py:643]
{rank 0/100} MD step = 289800 step time: 00:00:00.020604 Performance: 313.279 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 03:58:22,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289800 28980 39.136 -39521 4289.3 -43811 -43811 -0.36429 0.5918 0.19368 1.4192e+05 2023-02-16 03:58:24,966 INFO [main.py:643]
{rank 0/100} MD step = 289900 step time: 00:00:00.020500 Performance: 313.284 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:25,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289900 28990 39.875 -39419 4370.3 -43790 -43790 -0.36723 0.59211 0.1932 1.4196e+05 2023-02-16 03:58:27,687 INFO [main.py:643]
{rank 0/100} MD step = 290000 step time: 00:00:00.020480 Performance: 313.285 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:28,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290000 29000 39.464 -39527 4325.3 -43853 -43853 -0.36677 0.59206 0.19306 1.42e+05 2023-02-16 03:58:30,434 INFO [main.py:643]
{rank 0/100} MD step = 290100 step time: 00:00:00.020496 Performance: 313.285 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:31,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290100 29010 40.495 -39395 4438.3 -43833 -43833 -0.36793 0.59224 0.19353 1.4207e+05 2023-02-16 03:58:33,181 INFO [main.py:643]
{rank 0/100} MD step = 290200 step time: 00:00:00.020540 Performance: 313.286 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:33,634 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290200 29020 39.695 -39511 4350.6 -43861 -43861 -0.36993 0.59338 0.19403 1.421e+05 2023-02-16 03:58:35,934 INFO [main.py:643]
{rank 0/100} MD step = 290300 step time: 00:00:00.020509 Performance: 313.286 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:36,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290300 29030 39.986 -39421 4382.5 -43803 -43803 -0.37033 0.59389 0.19445 1.4216e+05 2023-02-16 03:58:38,680 INFO [main.py:643]
{rank 0/100} MD step = 290400 step time: 00:00:00.020590 Performance: 313.287 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:39,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290400 29040 40.733 -39361 4464.4 -43825 -43825 -0.37101 0.59415 0.19541 1.4219e+05 2023-02-16 03:58:41,467 INFO [main.py:643]
{rank 0/100} MD step = 290500 step time: 00:00:00.020607 Performance: 313.285 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:42,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290500 29050 39.752 -39519 4356.9 -43876 -43876 -0.37104 0.59481 0.19545 1.4224e+05 2023-02-16 03:58:44,168 INFO [main.py:643]
{rank 0/100} MD step = 290600 step time: 00:00:00.020449 Performance: 313.288 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:44,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290600 29060 39.889 -39510 4371.9 -43882 -43882 -0.37076 0.59405 0.19609 1.4227e+05 2023-02-16 03:58:46,862 INFO [main.py:643]
{rank 0/100} MD step = 290700 step time: 00:00:00.020490 Performance: 313.290 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 03:58:47,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290700 29070 40.322 -39462 4419.3 -43881 -43881 -0.37055 0.59422 0.19663 1.4233e+05 2023-02-16 03:58:49,551 INFO [main.py:643]
{rank 0/100} MD step = 290800 step time: 00:00:00.020478 Performance: 313.293 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:58:50,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290800 29080 40.264 -39341 4413 -43754 -43754 -0.37033 0.59398 0.19675 1.4238e+05 2023-02-16 03:58:52,216 INFO [main.py:643]
{rank 0/100} MD step = 290900 step time: 00:00:00.020525 Performance: 313.296 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:58:52,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290900 29090 39.64 -39506 4344.6 -43850 -43850 -0.37035 0.59344 0.19665 1.4243e+05 2023-02-16 03:58:54,911 INFO [main.py:643]
{rank 0/100} MD step = 291000 step time: 00:00:00.020533 Performance: 313.299 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:58:55,567 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291000 29100 40.238 -39390 4410.1 -43800 -43800 -0.36897 0.59379 0.19645 1.4249e+05 2023-02-16 03:58:57,606 INFO [main.py:643]
{rank 0/100} MD step = 291100 step time: 00:00:00.020493 Performance: 313.301 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:58:58,193 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291100 29110 39.782 -39434 4360.2 -43794 -43794 -0.3687 0.59499 0.19776 1.4253e+05 2023-02-16 03:59:00,275 INFO [main.py:643]
{rank 0/100} MD step = 291200 step time: 00:00:00.020530 Performance: 313.305 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:00,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291200 29120 39.885 -39465 4371.4 -43836 -43836 -0.36888 0.59528 0.19734 1.4258e+05 2023-02-16 03:59:02,968 INFO [main.py:643]
{rank 0/100} MD step = 291300 step time: 00:00:00.020550 Performance: 313.307 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:03,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291300 29130 40.009 -39473 4385.1 -43858 -43858 -0.36873 0.59626 0.19719 1.4263e+05 2023-02-16 03:59:05,685 INFO [main.py:643]
{rank 0/100} MD step = 291400 step time: 00:00:00.020473 Performance: 313.309 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:06,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291400 29140 40.339 -39295 4421.2 -43716 -43716 -0.36891 0.5971 0.19728 1.4269e+05 2023-02-16 03:59:08,506 INFO [main.py:643]
{rank 0/100} MD step = 291500 step time: 00:00:00.020435 Performance: 313.306 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:09,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291500 29150 39.828 -39501 4365.1 -43866 -43866 -0.36847 0.59767 0.19738 1.4275e+05 2023-02-16 03:59:11,196 INFO [main.py:643]
{rank 0/100} MD step = 291600 step time: 00:00:00.020487 Performance: 313.309 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:11,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291600 29160 39.665 -39516 4347.3 -43863 -43863 -0.36831 0.59741 0.19805 1.4277e+05 2023-02-16 03:59:13,978 INFO [main.py:643]
{rank 0/100} MD step = 291700 step time: 00:00:00.020382 Performance: 313.308 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:14,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291700 29170 40.475 -39421 4436.1 -43857 -43857 -0.36868 0.59661 0.19846 1.4284e+05 2023-02-16 03:59:16,841 INFO [main.py:643]
{rank 0/100} MD step = 291800 step time: 00:00:00.020459 Performance: 313.304 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:17,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291800 29180 39.83 -39463 4365.4 -43828 -43828 -0.36946 0.59569 0.19864 1.4287e+05 2023-02-16 03:59:19,891 INFO [main.py:643]
{rank 0/100} MD step = 291900 step time: 00:00:00.020468 Performance: 313.293 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:59:20,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291900 29190 39.935 -39436 4376.9 -43813 -43813 -0.36887 0.59611 0.19873 1.4293e+05 2023-02-16 03:59:22,650 INFO [main.py:643]
{rank 0/100} MD step = 292000 step time: 00:00:00.020357 Performance: 313.293 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:59:23,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292000 29200 40.176 -39405 4403.3 -43808 -43808 -0.36871 0.59724 0.19942 1.43e+05 2023-02-16 03:59:25,333 INFO [main.py:643]
{rank 0/100} MD step = 292100 step time: 00:00:00.020339 Performance: 313.296 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 03:59:25,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292100 29210 40.189 -39399 4404.7 -43804 -43804 -0.36853 0.59777 0.1999 1.4305e+05 2023-02-16 03:59:27,990 INFO [main.py:643]
{rank 0/100} MD step = 292200 step time: 00:00:00.020561 Performance: 313.299 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:28,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292200 29220 40.216 -39418 4407.7 -43826 -43826 -0.36923 0.59727 0.19938 1.4309e+05 2023-02-16 03:59:30,662 INFO [main.py:643]
{rank 0/100} MD step = 292300 step time: 00:00:00.020461 Performance: 313.303 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:31,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292300 29230 39.523 -39518 4331.8 -43850 -43850 -0.36741 0.59708 0.19964 1.4312e+05 2023-02-16 03:59:33,344 INFO [main.py:643]
{rank 0/100} MD step = 292400 step time: 00:00:00.020706 Performance: 313.306 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:33,792 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292400 29240 39.789 -39433 4360.9 -43794 -43794 -0.36798 0.59894 0.19917 1.432e+05 2023-02-16 03:59:36,007 INFO [main.py:643]
{rank 0/100} MD step = 292500 step time: 00:00:00.020524 Performance: 313.309 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:36,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292500 29250 39.871 -39540 4369.9 -43910 -43910 -0.3672 0.59847 0.20001 1.4324e+05 2023-02-16 03:59:38,777 INFO [main.py:643]
{rank 0/100} MD step = 292600 step time: 00:00:00.020595 Performance: 313.309 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:39,434 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292600 29260 39.803 -39510 4362.4 -43872 -43872 -0.36828 0.59873 0.20079 1.4329e+05 2023-02-16 03:59:41,470 INFO [main.py:643]
{rank 0/100} MD step = 292700 step time: 00:00:00.020496 Performance: 313.311 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:42,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292700 29270 39.794 -39450 4361.4 -43811 -43811 -0.36829 0.59929 0.20089 1.4335e+05 2023-02-16 03:59:44,210 INFO [main.py:643]
{rank 0/100} MD step = 292800 step time: 00:00:00.020614 Performance: 313.312 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:44,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292800 29280 39.883 -39455 4371.2 -43826 -43826 -0.36874 0.59933 0.20111 1.4341e+05 2023-02-16 03:59:46,981 INFO [main.py:643]
{rank 0/100} MD step = 292900 step time: 00:00:00.020571 Performance: 313.312 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:47,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292900 29290 39.819 -39485 4364.2 -43850 -43850 -0.36758 0.59913 0.20152 1.4345e+05 2023-02-16 03:59:49,792 INFO [main.py:643]
{rank 0/100} MD step = 293000 step time: 00:00:00.020444 Performance: 313.310 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:50,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293000 29300 40.114 -39428 4396.6 -43824 -43824 -0.36732 0.59868 0.2015 1.435e+05 2023-02-16 03:59:52,615 INFO [main.py:643]
{rank 0/100} MD step = 293100 step time: 00:00:00.021629 Performance: 313.307 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:53,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293100 29310 39.68 -39467 4349 -43816 -43816 -0.36753 0.59852 0.20182 1.4353e+05 2023-02-16 03:59:55,274 INFO [main.py:643]
{rank 0/100} MD step = 293200 step time: 00:00:00.020510 Performance: 313.311 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 03:59:56,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293200 29320 39.815 -39481 4363.8 -43845 -43845 -0.36773 0.59842 0.20237 1.4359e+05 2023-02-16 03:59:58,120 INFO [main.py:643]
{rank 0/100} MD step = 293300 step time: 00:00:00.020375 Performance: 313.307 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 03:59:58,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293300 29330 39.908 -39471 4373.9 -43845 -43845 -0.36701 0.59849 0.2015 1.4364e+05 2023-02-16 04:00:00,806 INFO [main.py:643]
{rank 0/100} MD step = 293400 step time: 00:00:00.020543 Performance: 313.310 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:00:01,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293400 29340 40.001 -39521 4384.2 -43906 -43906 -0.36705 0.59913 0.20159 1.437e+05 2023-02-16 04:00:03,486 INFO [main.py:643]
{rank 0/100} MD step = 293500 step time: 00:00:00.020494 Performance: 313.313 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:00:04,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293500 29350 39.989 -39467 4382.8 -43849 -43849 -0.36889 0.59981 0.20163 1.4373e+05 2023-02-16 04:00:06,168 INFO [main.py:643]
{rank 0/100} MD step = 293600 step time: 00:00:00.020486 Performance: 313.316 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:00:06,844 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293600 29360 39.593 -39408 4339.5 -43747 -43747 -0.36781 0.59997 0.20093 1.4379e+05 2023-02-16 04:00:08,895 INFO [main.py:643]
{rank 0/100} MD step = 293700 step time: 00:00:00.020573 Performance: 313.317 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:09,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293700 29370 40.26 -39460 4412.6 -43873 -43873 -0.36759 0.60049 0.20048 1.4382e+05 2023-02-16 04:00:11,582 INFO [main.py:643]
{rank 0/100} MD step = 293800 step time: 00:00:00.020298 Performance: 313.320 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:12,228 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293800 29380 39.165 -39530 4292.5 -43823 -43823 -0.36712 0.59998 0.20029 1.4388e+05 2023-02-16 04:00:14,276 INFO [main.py:643]
{rank 0/100} MD step = 293900 step time: 00:00:00.020452 Performance: 313.322 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:14,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293900 29390 39.768 -39413 4358.7 -43771 -43771 -0.3667 0.59974 0.1995 1.4393e+05 2023-02-16 04:00:16,953 INFO [main.py:643]
{rank 0/100} MD step = 294000 step time: 00:00:00.020343 Performance: 313.326 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:00:17,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294000 29400 40.596 -39343 4449.4 -43793 -43793 -0.36718 0.60066 0.19896 1.4399e+05 2023-02-16 04:00:19,726 INFO [main.py:643]
{rank 0/100} MD step = 294100 step time: 00:00:00.020541 Performance: 313.325 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:20,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294100 29410 39.437 -39454 4322.3 -43777 -43777 -0.36854 0.60058 0.19961 1.4406e+05 2023-02-16 04:00:22,572 INFO [main.py:643]
{rank 0/100} MD step = 294200 step time: 00:00:00.020465 Performance: 313.322 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:23,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294200 29420 39.866 -39395 4369.3 -43764 -43764 -0.3701 0.60086 0.19952 1.4411e+05 2023-02-16 04:00:25,367 INFO [main.py:643]
{rank 0/100} MD step = 294300 step time: 00:00:00.020681 Performance: 313.320 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:26,006 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294300 29430 40.566 -39378 4446.1 -43824 -43824 -0.36914 0.60121 0.19954 1.4414e+05 2023-02-16 04:00:28,039 INFO [main.py:643]
{rank 0/100} MD step = 294400 step time: 00:00:00.020618 Performance: 313.323 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:28,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294400 29440 40.079 -39414 4392.7 -43807 -43807 -0.36893 0.60183 0.20026 1.4421e+05 2023-02-16 04:00:30,785 INFO [main.py:643]
{rank 0/100} MD step = 294500 step time: 00:00:00.020564 Performance: 313.324 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:31,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294500 29450 39.942 -39478 4377.7 -43855 -43855 -0.37038 0.60244 0.19976 1.4425e+05 2023-02-16 04:00:33,522 INFO [main.py:643]
{rank 0/100} MD step = 294600 step time: 00:00:00.020480 Performance: 313.325 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:00:34,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294600 29460 39.432 -39482 4321.8 -43804 -43804 -0.37001 0.60307 0.19978 1.443e+05 2023-02-16 04:00:36,239 INFO [main.py:643]
{rank 0/100} MD step = 294700 step time: 00:00:00.020518 Performance: 313.326 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:00:36,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294700 29470 39.815 -39410 4363.8 -43774 -43774 -0.37046 0.60291 0.20004 1.4434e+05 2023-02-16 04:00:38,953 INFO [main.py:643]
{rank 0/100} MD step = 294800 step time: 00:00:00.020515 Performance: 313.328 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:00:39,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294800 29480 40.219 -39398 4408 -43806 -43806 -0.36932 0.60365 0.20052 1.4439e+05 2023-02-16 04:00:41,679 INFO [main.py:643]
{rank 0/100} MD step = 294900 step time: 00:00:00.020509 Performance: 313.329 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:00:42,364 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294900 29490 39.69 -39500 4350 -43850 -43850 -0.36832 0.6031 0.20102 1.4445e+05 2023-02-16 04:00:44,395 INFO [main.py:643]
{rank 0/100} MD step = 295000 step time: 00:00:00.020406 Performance: 313.331 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:00:44,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295000 29500 39.923 -39455 4375.6 -43831 -43831 -0.36764 0.6024 0.2012 1.445e+05 2023-02-16 04:00:47,116 INFO [main.py:643]
{rank 0/100} MD step = 295100 step time: 00:00:00.020556 Performance: 313.332 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:00:47,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295100 29510 40.003 -39427 4384.4 -43811 -43811 -0.36676 0.60232 0.20125 1.4454e+05 2023-02-16 04:00:49,873 INFO [main.py:643]
{rank 0/100} MD step = 295200 step time: 00:00:00.020492 Performance: 313.332 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:00:50,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295200 29520 39.478 -39515 4326.9 -43842 -43842 -0.36537 0.60246 0.20096 1.4459e+05 2023-02-16 04:00:52,576 INFO [main.py:643]
{rank 0/100} MD step = 295300 step time: 00:00:00.020415 Performance: 313.334 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:00:53,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295300 29530 40.026 -39476 4386.9 -43862 -43862 -0.36593 0.60193 0.20105 1.4465e+05 2023-02-16 04:00:55,282 INFO [main.py:643]
{rank 0/100} MD step = 295400 step time: 00:00:00.020239 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:00:55,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295400 29540 39.997 -39450 4383.8 -43833 -43833 -0.36516 0.60311 0.2006 1.447e+05 2023-02-16 04:00:57,974 INFO [main.py:643]
{rank 0/100} MD step = 295500 step time: 00:00:00.020427 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:00:58,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295500 29550 40.609 -39345 4450.8 -43796 -43796 -0.36516 0.60369 0.19974 1.4476e+05 2023-02-16 04:01:00,706 INFO [main.py:643]
{rank 0/100} MD step = 295600 step time: 00:00:00.020388 Performance: 313.340 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:01,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295600 29560 40.118 -39445 4396.9 -43842 -43842 -0.36457 0.60453 0.19976 1.4481e+05 2023-02-16 04:01:03,502 INFO [main.py:643]
{rank 0/100} MD step = 295700 step time: 00:00:00.021227 Performance: 313.338 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:03,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295700 29570 39.645 -39552 4345.1 -43897 -43897 -0.36433 0.60417 0.19954 1.4485e+05 2023-02-16 04:01:06,209 INFO [main.py:643]
{rank 0/100} MD step = 295800 step time: 00:00:00.020518 Performance: 313.340 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:07,014 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295800 29580 40.924 -39364 4485.3 -43849 -43849 -0.36365 0.60445 0.19969 1.4489e+05 2023-02-16 04:01:09,064 INFO [main.py:643]
{rank 0/100} MD step = 295900 step time: 00:00:00.020523 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:09,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295900 29590 39.782 -39466 4360.1 -43826 -43826 -0.36412 0.60502 0.1991 1.4493e+05 2023-02-16 04:01:11,748 INFO [main.py:643]
{rank 0/100} MD step = 296000 step time: 00:00:00.020544 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:12,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296000 29600 39.694 -39456 4350.5 -43807 -43807 -0.36423 0.60556 0.19887 1.4499e+05 2023-02-16 04:01:14,578 INFO [main.py:643]
{rank 0/100} MD step = 296100 step time: 00:00:00.020597 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:15,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296100 29610 39.918 -39484 4375 -43859 -43859 -0.36567 0.60508 0.19898 1.4503e+05 2023-02-16 04:01:17,316 INFO [main.py:643]
{rank 0/100} MD step = 296200 step time: 00:00:00.021005 Performance: 313.337 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:17,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296200 29620 40.205 -39417 4406.5 -43823 -43823 -0.3678 0.60501 0.19906 1.451e+05 2023-02-16 04:01:20,072 INFO [main.py:643]
{rank 0/100} MD step = 296300 step time: 00:00:00.020527 Performance: 313.337 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:20,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296300 29630 40.222 -39459 4408.3 -43868 -43868 -0.36735 0.60552 0.19952 1.4513e+05 2023-02-16 04:01:22,830 INFO [main.py:643]
{rank 0/100} MD step = 296400 step time: 00:00:00.020376 Performance: 313.337 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:23,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296400 29640 39.952 -39454 4378.8 -43833 -43833 -0.36615 0.60594 0.19853 1.4518e+05 2023-02-16 04:01:25,574 INFO [main.py:643]
{rank 0/100} MD step = 296500 step time: 00:00:00.020575 Performance: 313.338 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:26,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296500 29650 40.179 -39394 4403.7 -43797 -43797 -0.36577 0.60702 0.19713 1.4523e+05 2023-02-16 04:01:28,382 INFO [main.py:643]
{rank 0/100} MD step = 296600 step time: 00:00:00.021797 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:28,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296600 29660 39.668 -39458 4347.7 -43805 -43805 -0.36581 0.60769 0.19674 1.4528e+05 2023-02-16 04:01:31,130 INFO [main.py:643]
{rank 0/100} MD step = 296700 step time: 00:00:00.020525 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:31,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296700 29670 40.315 -39353 4418.6 -43772 -43772 -0.36601 0.60776 0.19637 1.4534e+05 2023-02-16 04:01:33,842 INFO [main.py:643]
{rank 0/100} MD step = 296800 step time: 00:00:00.020389 Performance: 313.338 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:34,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296800 29680 40.104 -39364 4395.4 -43760 -43760 -0.3649 0.60803 0.1964 1.4537e+05 2023-02-16 04:01:36,561 INFO [main.py:643]
{rank 0/100} MD step = 296900 step time: 00:00:00.020350 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:37,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296900 29690 40.132 -39415 4398.5 -43814 -43814 -0.36359 0.60855 0.19658 1.4544e+05 2023-02-16 04:01:39,259 INFO [main.py:643]
{rank 0/100} MD step = 297000 step time: 00:00:00.020467 Performance: 313.342 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:01:39,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297000 29700 39.907 -39425 4373.8 -43799 -43799 -0.36311 0.60895 0.19621 1.4549e+05 2023-02-16 04:01:41,918 INFO [main.py:643]
{rank 0/100} MD step = 297100 step time: 00:00:00.020624 Performance: 313.345 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:01:42,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297100 29710 39.754 -39476 4357.1 -43833 -43833 -0.36324 0.60922 0.19727 1.4554e+05 2023-02-16 04:01:44,604 INFO [main.py:643]
{rank 0/100} MD step = 297200 step time: 00:00:00.020492 Performance: 313.348 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:01:45,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297200 29720 39.898 -39478 4372.9 -43850 -43850 -0.36473 0.61009 0.19674 1.4559e+05 2023-02-16 04:01:47,434 INFO [main.py:643]
{rank 0/100} MD step = 297300 step time: 00:00:00.020428 Performance: 313.345 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:01:48,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297300 29730 40.452 -39377 4433.6 -43811 -43811 -0.36413 0.6106 0.19718 1.4564e+05 2023-02-16 04:01:50,144 INFO [main.py:643]
{rank 0/100} MD step = 297400 step time: 00:00:00.020515 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:01:50,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297400 29740 39.675 -39608 4348.4 -43956 -43956 -0.36391 0.61203 0.19788 1.4567e+05 2023-02-16 04:01:52,849 INFO [main.py:643]
{rank 0/100} MD step = 297500 step time: 00:00:00.020517 Performance: 313.349 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:01:53,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297500 29750 39.588 -39471 4338.9 -43809 -43809 -0.36455 0.61298 0.19731 1.4573e+05 2023-02-16 04:01:55,646 INFO [main.py:643]
{rank 0/100} MD step = 297600 step time: 00:00:00.020530 Performance: 313.348 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:01:56,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297600 29760 40.234 -39480 4409.7 -43890 -43890 -0.36366 0.6137 0.19673 1.4576e+05 2023-02-16 04:01:58,324 INFO [main.py:643]
{rank 0/100} MD step = 297700 step time: 00:00:00.021699 Performance: 313.351 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:01:58,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297700 29770 40.417 -39377 4429.7 -43806 -43806 -0.36244 0.61365 0.19634 1.4582e+05 2023-02-16 04:02:00,987 INFO [main.py:643]
{rank 0/100} MD step = 297800 step time: 00:00:00.020651 Performance: 313.354 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:02:01,381 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297800 29780 39.974 -39434 4381.1 -43815 -43815 -0.36384 0.61473 0.1962 1.4589e+05 2023-02-16 04:02:03,678 INFO [main.py:643]
{rank 0/100} MD step = 297900 step time: 00:00:00.020411 Performance: 313.357 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:02:04,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297900 29790 39.615 -39532 4341.9 -43874 -43874 -0.36437 0.61479 0.19641 1.4593e+05 2023-02-16 04:02:06,336 INFO [main.py:643]
{rank 0/100} MD step = 298000 step time: 00:00:00.020428 Performance: 313.361 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:07,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298000 29800 39.942 -39435 4377.7 -43813 -43813 -0.36452 0.61552 0.19687 1.4598e+05 2023-02-16 04:02:09,089 INFO [main.py:643]
{rank 0/100} MD step = 298100 step time: 00:00:00.020453 Performance: 313.361 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:09,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298100 29810 40.267 -39454 4413.3 -43867 -43867 -0.36425 0.61518 0.19751 1.4603e+05 2023-02-16 04:02:11,803 INFO [main.py:643]
{rank 0/100} MD step = 298200 step time: 00:00:00.020348 Performance: 313.362 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:12,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298200 29820 40.859 -39377 4478.2 -43855 -43855 -0.36533 0.61522 0.19721 1.4607e+05 2023-02-16 04:02:14,523 INFO [main.py:643]
{rank 0/100} MD step = 298300 step time: 00:00:00.020635 Performance: 313.364 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:15,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298300 29830 39.437 -39530 4322.4 -43852 -43852 -0.36507 0.61569 0.19712 1.4611e+05 2023-02-16 04:02:17,446 INFO [main.py:643]
{rank 0/100} MD step = 298400 step time: 00:00:00.020384 Performance: 313.357 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:02:17,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298400 29840 40.618 -39349 4451.7 -43800 -43800 -0.36576 0.61583 0.19695 1.4617e+05 2023-02-16 04:02:20,158 INFO [main.py:643]
{rank 0/100} MD step = 298500 step time: 00:00:00.020387 Performance: 313.359 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:02:20,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298500 29850 39.994 -39435 4383.3 -43818 -43818 -0.36596 0.61615 0.19726 1.4622e+05 2023-02-16 04:02:22,857 INFO [main.py:643]
{rank 0/100} MD step = 298600 step time: 00:00:00.020563 Performance: 313.361 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:23,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298600 29860 40.918 -39374 4484.7 -43859 -43859 -0.36509 0.6163 0.19789 1.4627e+05 2023-02-16 04:02:25,603 INFO [main.py:643]
{rank 0/100} MD step = 298700 step time: 00:00:00.020487 Performance: 313.362 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:26,131 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298700 29870 39.836 -39429 4366 -43795 -43795 -0.36547 0.61635 0.19773 1.4632e+05 2023-02-16 04:02:28,282 INFO [main.py:643]
{rank 0/100} MD step = 298800 step time: 00:00:00.021924 Performance: 313.365 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:28,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298800 29880 40.098 -39332 4394.8 -43727 -43727 -0.36585 0.61623 0.19808 1.4636e+05 2023-02-16 04:02:31,058 INFO [main.py:643]
{rank 0/100} MD step = 298900 step time: 00:00:00.020452 Performance: 313.364 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:31,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298900 29890 39.35 -39489 4312.8 -43802 -43802 -0.36535 0.61703 0.19824 1.4641e+05 2023-02-16 04:02:33,709 INFO [main.py:643]
{rank 0/100} MD step = 299000 step time: 00:00:00.020575 Performance: 313.368 ns/day 0.077 hours/ns 36.269 steps/s 2023-02-16 04:02:34,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299000 29900 40.184 -39466 4404.3 -43871 -43871 -0.36535 0.61657 0.19744 1.4646e+05 2023-02-16 04:02:36,410 INFO [main.py:643]
{rank 0/100} MD step = 299100 step time: 00:00:00.020517 Performance: 313.370 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:02:37,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299100 29910 40.236 -39521 4409.9 -43931 -43931 -0.36604 0.61718 0.19733 1.4652e+05 2023-02-16 04:02:39,082 INFO [main.py:643]
{rank 0/100} MD step = 299200 step time: 00:00:00.020564 Performance: 313.374 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:02:39,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299200 29920 40.398 -39425 4427.7 -43853 -43853 -0.36583 0.61723 0.19749 1.4656e+05 2023-02-16 04:02:41,779 INFO [main.py:643]
{rank 0/100} MD step = 299300 step time: 00:00:00.020487 Performance: 313.376 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:02:42,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299300 29930 40.444 -39430 4432.7 -43863 -43863 -0.36652 0.61699 0.19818 1.466e+05 2023-02-16 04:02:44,486 INFO [main.py:643]
{rank 0/100} MD step = 299400 step time: 00:00:00.020555 Performance: 313.378 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:02:45,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299400 29940 39.706 -39464 4351.8 -43816 -43816 -0.36701 0.61789 0.19829 1.4666e+05 2023-02-16 04:02:47,397 INFO [main.py:643]
{rank 0/100} MD step = 299500 step time: 00:00:00.020520 Performance: 313.372 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:02:47,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299500 29950 40.507 -39435 4439.6 -43875 -43875 -0.36661 0.61801 0.19893 1.4671e+05 2023-02-16 04:02:50,138 INFO [main.py:643]
{rank 0/100} MD step = 299600 step time: 00:00:00.020723 Performance: 313.372 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:02:50,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299600 29960 39.484 -39519 4327.5 -43846 -43846 -0.36776 0.61743 0.19934 1.4677e+05 2023-02-16 04:02:52,898 INFO [main.py:643]
{rank 0/100} MD step = 299700 step time: 00:00:00.020435 Performance: 313.372 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:02:53,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299700 29970 39.928 -39445 4376.2 -43822 -43822 -0.36745 0.61962 0.19929 1.4683e+05 2023-02-16 04:02:55,634 INFO [main.py:643]
{rank 0/100} MD step = 299800 step time: 00:00:00.020754 Performance: 313.373 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:02:56,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299800 29980 40.25 -39425 4411.4 -43836 -43836 -0.36743 0.61999 0.19939 1.4688e+05 2023-02-16 04:02:58,367 INFO [main.py:643]
{rank 0/100} MD step = 299900 step time: 00:00:00.021796 Performance: 313.374 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:02:59,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299900 29990 40.238 -39450 4410.1 -43860 -43860 -0.36822 0.62057 0.19885 1.4692e+05 2023-02-16 04:03:01,093 INFO [main.py:643]
{rank 0/100} MD step = 300000 step time: 00:00:00.020386 Performance: 313.375 ns/day 0.077 hours/ns 36.270 steps/s 2023-02-16 04:03:01,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300000 30000 40.606 -39424 4450.4 -43874 -43874 -0.36728 0.61997 0.19843 1.4695e+05 2023-02-16 04:03:03,775 INFO [main.py:643]
{rank 0/100} MD step = 300100 step time: 00:00:00.020521 Performance: 313.378 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:04,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300100 30010 39.78 -39451 4359.9 -43810 -43810 -0.36706 0.62014 0.19894 1.4699e+05 2023-02-16 04:03:06,468 INFO [main.py:643]
{rank 0/100} MD step = 300200 step time: 00:00:00.020581 Performance: 313.381 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:07,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300200 30020 39.954 -39423 4379 -43802 -43802 -0.36575 0.61992 0.19886 1.4704e+05 2023-02-16 04:03:09,212 INFO [main.py:643]
{rank 0/100} MD step = 300300 step time: 00:00:00.020448 Performance: 313.381 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:09,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300300 30030 39.628 -39422 4343.3 -43765 -43765 -0.3657 0.61951 0.19933 1.471e+05 2023-02-16 04:03:11,997 INFO [main.py:643]
{rank 0/100} MD step = 300400 step time: 00:00:00.020360 Performance: 313.380 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:12,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300400 30040 39.542 -39511 4333.8 -43845 -43845 -0.36544 0.61956 0.19983 1.4715e+05 2023-02-16 04:03:14,693 INFO [main.py:643]
{rank 0/100} MD step = 300500 step time: 00:00:00.020457 Performance: 313.382 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:15,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300500 30050 40.581 -39389 4447.7 -43837 -43837 -0.3647 0.62042 0.19908 1.472e+05 2023-02-16 04:03:17,532 INFO [main.py:643]
{rank 0/100} MD step = 300600 step time: 00:00:00.020551 Performance: 313.379 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:18,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300600 30060 39.697 -39507 4350.8 -43858 -43858 -0.36409 0.62012 0.19877 1.4724e+05 2023-02-16 04:03:20,253 INFO [main.py:643]
{rank 0/100} MD step = 300700 step time: 00:00:00.020509 Performance: 313.381 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:20,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300700 30070 40.457 -39355 4434.1 -43790 -43790 -0.36373 0.62003 0.19975 1.4729e+05 2023-02-16 04:03:22,966 INFO [main.py:643]
{rank 0/100} MD step = 300800 step time: 00:00:00.020473 Performance: 313.382 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:23,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300800 30080 40.219 -39416 4408 -43824 -43824 -0.36309 0.62022 0.19839 1.4734e+05 2023-02-16 04:03:25,693 INFO [main.py:643]
{rank 0/100} MD step = 300900 step time: 00:00:00.020554 Performance: 313.383 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:03:26,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300900 30090 40.224 -39509 4408.6 -43917 -43917 -0.36307 0.62002 0.19914 1.4739e+05 2023-02-16 04:03:28,350 INFO [main.py:643]
{rank 0/100} MD step = 301000 step time: 00:00:00.021799 Performance: 313.387 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:03:28,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301000 30100 40.799 -39320 4471.6 -43791 -43791 -0.36278 0.61935 0.19934 1.4743e+05 2023-02-16 04:03:31,047 INFO [main.py:643]
{rank 0/100} MD step = 301100 step time: 00:00:00.020385 Performance: 313.389 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:03:31,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301100 30110 40.319 -39370 4419 -43789 -43789 -0.36242 0.61923 0.19902 1.4749e+05 2023-02-16 04:03:33,701 INFO [main.py:643]
{rank 0/100} MD step = 301200 step time: 00:00:00.020388 Performance: 313.393 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:03:34,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301200 30120 40.289 -39305 4415.7 -43721 -43721 -0.36326 0.61996 0.19968 1.4753e+05 2023-02-16 04:03:36,428 INFO [main.py:643]
{rank 0/100} MD step = 301300 step time: 00:00:00.020572 Performance: 313.394 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:03:36,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301300 30130 39.805 -39447 4362.7 -43809 -43809 -0.36474 0.61974 0.19957 1.4757e+05 2023-02-16 04:03:39,067 INFO [main.py:643]
{rank 0/100} MD step = 301400 step time: 00:00:00.020435 Performance: 313.399 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:03:39,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301400 30140 40.184 -39415 4404.2 -43819 -43819 -0.36398 0.61996 0.19994 1.4762e+05 2023-02-16 04:03:41,745 INFO [main.py:643]
{rank 0/100} MD step = 301500 step time: 00:00:00.020768 Performance: 313.402 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:03:42,411 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301500 30150 39.96 -39436 4379.7 -43816 -43816 -0.36352 0.62046 0.19909 1.4767e+05 2023-02-16 04:03:44,456 INFO [main.py:643]
{rank 0/100} MD step = 301600 step time: 00:00:00.020808 Performance: 313.404 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:03:45,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301600 30160 39.952 -39487 4378.8 -43865 -43865 -0.36185 0.62079 0.19935 1.4771e+05 2023-02-16 04:03:47,185 INFO [main.py:643]
{rank 0/100} MD step = 301700 step time: 00:00:00.020477 Performance: 313.405 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:03:47,929 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301700 30170 40.272 -39391 4413.9 -43805 -43805 -0.36242 0.62051 0.19974 1.4774e+05 2023-02-16 04:03:49,973 INFO [main.py:643]
{rank 0/100} MD step = 301800 step time: 00:00:00.020538 Performance: 313.403 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:03:50,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301800 30180 40.086 -39429 4393.4 -43823 -43823 -0.36263 0.61992 0.20089 1.478e+05 2023-02-16 04:03:52,734 INFO [main.py:643]
{rank 0/100} MD step = 301900 step time: 00:00:00.020505 Performance: 313.403 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:03:53,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301900 30190 39.793 -39375 4361.4 -43736 -43736 -0.3621 0.61971 0.20094 1.4788e+05 2023-02-16 04:03:55,729 INFO [main.py:643]
{rank 0/100} MD step = 302000 step time: 00:00:00.020431 Performance: 313.394 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:03:56,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302000 30200 39.467 -39473 4325.6 -43799 -43799 -0.36328 0.62033 0.20016 1.4793e+05 2023-02-16 04:03:58,587 INFO [main.py:643]
{rank 0/100} MD step = 302100 step time: 00:00:00.020564 Performance: 313.390 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:03:59,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302100 30210 39.882 -39469 4371.2 -43840 -43840 -0.36558 0.62063 0.19999 1.4797e+05 2023-02-16 04:04:01,332 INFO [main.py:643]
{rank 0/100} MD step = 302200 step time: 00:00:00.020556 Performance: 313.391 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:04:01,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302200 30220 40.133 -39412 4398.6 -43811 -43811 -0.36651 0.62009 0.19995 1.4803e+05 2023-02-16 04:04:04,180 INFO [main.py:643]
{rank 0/100} MD step = 302300 step time: 00:00:00.020543 Performance: 313.387 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:04:04,810 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302300 30230 40.105 -39484 4395.5 -43880 -43880 -0.36564 0.62032 0.20074 1.4807e+05 2023-02-16 04:04:06,909 INFO [main.py:643]
{rank 0/100} MD step = 302400 step time: 00:00:00.020405 Performance: 313.389 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:04:07,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302400 30240 40.123 -39438 4397.6 -43835 -43835 -0.36682 0.61946 0.20102 1.4811e+05 2023-02-16 04:04:09,609 INFO [main.py:643]
{rank 0/100} MD step = 302500 step time: 00:00:00.020361 Performance: 313.391 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:04:10,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302500 30250 40.204 -39417 4406.5 -43823 -43823 -0.36681 0.61973 0.20168 1.4815e+05 2023-02-16 04:04:12,291 INFO [main.py:643]
{rank 0/100} MD step = 302600 step time: 00:00:00.020556 Performance: 313.393 ns/day 0.077 hours/ns 36.272 steps/s 2023-02-16 04:04:12,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302600 30260 40.263 -39445 4412.9 -43858 -43858 -0.36691 0.61946 0.20139 1.482e+05 2023-02-16 04:04:15,018 INFO [main.py:643]
{rank 0/100} MD step = 302700 step time: 00:00:00.020558 Performance: 313.395 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:04:15,493 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302700 30270 39.508 -39516 4330.1 -43847 -43847 -0.36668 0.61964 0.20146 1.4824e+05 2023-02-16 04:04:17,691 INFO [main.py:643]
{rank 0/100} MD step = 302800 step time: 00:00:00.020466 Performance: 313.398 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:04:18,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302800 30280 40.293 -39479 4416.2 -43895 -43895 -0.36522 0.62039 0.20142 1.4828e+05 2023-02-16 04:04:20,425 INFO [main.py:643]
{rank 0/100} MD step = 302900 step time: 00:00:00.020871 Performance: 313.399 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:04:21,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302900 30290 40.31 -39360 4418 -43778 -43778 -0.36469 0.62125 0.20227 1.4833e+05 2023-02-16 04:04:23,126 INFO [main.py:643]
{rank 0/100} MD step = 303000 step time: 00:00:00.020347 Performance: 313.401 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:04:23,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303000 30300 40.132 -39345 4398.6 -43744 -43744 -0.36442 0.62168 0.20306 1.4839e+05 2023-02-16 04:04:25,849 INFO [main.py:643]
{rank 0/100} MD step = 303100 step time: 00:00:00.020480 Performance: 313.402 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:04:26,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303100 30310 39.207 -39571 4297.1 -43868 -43868 -0.36339 0.62308 0.20333 1.4844e+05 2023-02-16 04:04:28,619 INFO [main.py:643]
{rank 0/100} MD step = 303200 step time: 00:00:00.020641 Performance: 313.402 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:04:29,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303200 30320 40.624 -39423 4452.5 -43875 -43875 -0.36263 0.62348 0.2025 1.4848e+05 2023-02-16 04:04:31,348 INFO [main.py:643]
{rank 0/100} MD step = 303300 step time: 00:00:00.020498 Performance: 313.403 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:04:31,955 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303300 30330 39.693 -39504 4350.4 -43854 -43854 -0.36387 0.62374 0.20129 1.4855e+05 2023-02-16 04:04:34,045 INFO [main.py:643]
{rank 0/100} MD step = 303400 step time: 00:00:00.020502 Performance: 313.405 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:04:34,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303400 30340 39.239 -39445 4300.7 -43745 -43745 -0.36289 0.62421 0.20054 1.4858e+05 2023-02-16 04:04:36,826 INFO [main.py:643]
{rank 0/100} MD step = 303500 step time: 00:00:00.020571 Performance: 313.404 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:04:37,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303500 30350 39.508 -39515 4330.2 -43846 -43846 -0.3627 0.62507 0.20032 1.4863e+05 2023-02-16 04:04:39,568 INFO [main.py:643]
{rank 0/100} MD step = 303600 step time: 00:00:00.020539 Performance: 313.404 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:04:40,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303600 30360 40.685 -39357 4459.1 -43816 -43816 -0.36333 0.62559 0.20065 1.4868e+05 2023-02-16 04:04:42,273 INFO [main.py:643]
{rank 0/100} MD step = 303700 step time: 00:00:00.020433 Performance: 313.406 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:04:42,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303700 30370 40.597 -39385 4449.5 -43835 -43835 -0.36313 0.62596 0.20123 1.4871e+05 2023-02-16 04:04:44,901 INFO [main.py:643]
{rank 0/100} MD step = 303800 step time: 00:00:00.020455 Performance: 313.411 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:04:45,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303800 30380 40.179 -39442 4403.7 -43845 -43845 -0.36306 0.62745 0.20088 1.4878e+05 2023-02-16 04:04:47,628 INFO [main.py:643]
{rank 0/100} MD step = 303900 step time: 00:00:00.020416 Performance: 313.412 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:04:48,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303900 30390 39.631 -39471 4343.6 -43814 -43814 -0.3619 0.62736 0.20131 1.4883e+05 2023-02-16 04:04:50,353 INFO [main.py:643]
{rank 0/100} MD step = 304000 step time: 00:00:00.020513 Performance: 313.414 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:04:51,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304000 30400 40.331 -39415 4420.3 -43836 -43836 -0.36244 0.62819 0.20054 1.4887e+05 2023-02-16 04:04:53,122 INFO [main.py:643]
{rank 0/100} MD step = 304100 step time: 00:00:00.020621 Performance: 313.413 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:04:53,785 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304100 30410 39.511 -39445 4330.4 -43776 -43776 -0.36263 0.62843 0.20085 1.4893e+05 2023-02-16 04:04:55,819 INFO [main.py:643]
{rank 0/100} MD step = 304200 step time: 00:00:00.020635 Performance: 313.415 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:04:56,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304200 30420 40.611 -39338 4451.1 -43789 -43789 -0.3617 0.62908 0.1999 1.4898e+05 2023-02-16 04:04:58,570 INFO [main.py:643]
{rank 0/100} MD step = 304300 step time: 00:00:00.020461 Performance: 313.415 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:04:59,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304300 30430 40.016 -39315 4385.8 -43701 -43701 -0.36205 0.62849 0.20024 1.4902e+05 2023-02-16 04:05:01,308 INFO [main.py:643]
{rank 0/100} MD step = 304400 step time: 00:00:00.020755 Performance: 313.416 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:05:01,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304400 30440 39.768 -39447 4358.6 -43806 -43806 -0.36264 0.6283 0.19951 1.4909e+05 2023-02-16 04:05:03,944 INFO [main.py:643]
{rank 0/100} MD step = 304500 step time: 00:00:00.020625 Performance: 313.421 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:04,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304500 30450 40.317 -39440 4418.7 -43858 -43858 -0.3612 0.62885 0.19904 1.4913e+05 2023-02-16 04:05:06,747 INFO [main.py:643]
{rank 0/100} MD step = 304600 step time: 00:00:00.020627 Performance: 313.419 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:05:07,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304600 30460 40.35 -39505 4422.4 -43927 -43927 -0.36077 0.62916 0.19902 1.4918e+05 2023-02-16 04:05:09,427 INFO [main.py:643]
{rank 0/100} MD step = 304700 step time: 00:00:00.020454 Performance: 313.422 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:09,992 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304700 30470 39.859 -39486 4368.6 -43854 -43854 -0.36027 0.63008 0.1996 1.4923e+05 2023-02-16 04:05:12,112 INFO [main.py:643]
{rank 0/100} MD step = 304800 step time: 00:00:00.020330 Performance: 313.424 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:12,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304800 30480 39.545 -39500 4334.2 -43835 -43835 -0.36101 0.62913 0.20016 1.4929e+05 2023-02-16 04:05:14,815 INFO [main.py:643]
{rank 0/100} MD step = 304900 step time: 00:00:00.020595 Performance: 313.427 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:15,498 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304900 30490 39.971 -39432 4380.8 -43813 -43813 -0.35984 0.62984 0.20005 1.4934e+05 2023-02-16 04:05:17,566 INFO [main.py:643]
{rank 0/100} MD step = 305000 step time: 00:00:00.020737 Performance: 313.427 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:18,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305000 30500 40.209 -39416 4407 -43823 -43823 -0.35934 0.63024 0.20031 1.4938e+05 2023-02-16 04:05:20,349 INFO [main.py:643]
{rank 0/100} MD step = 305100 step time: 00:00:00.020501 Performance: 313.426 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:20,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305100 30510 40.443 -39410 4432.6 -43842 -43842 -0.35973 0.63042 0.1999 1.4943e+05 2023-02-16 04:05:23,080 INFO [main.py:643]
{rank 0/100} MD step = 305200 step time: 00:00:00.020531 Performance: 313.427 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:23,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305200 30520 39.876 -39427 4370.4 -43797 -43797 -0.36053 0.63082 0.19965 1.4948e+05 2023-02-16 04:05:25,830 INFO [main.py:643]
{rank 0/100} MD step = 305300 step time: 00:00:00.020484 Performance: 313.427 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:26,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305300 30530 39.998 -39449 4383.9 -43833 -43833 -0.36148 0.63044 0.19983 1.4952e+05 2023-02-16 04:05:28,775 INFO [main.py:643]
{rank 0/100} MD step = 305400 step time: 00:00:00.020875 Performance: 313.420 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:05:29,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305400 30540 39.61 -39507 4341.3 -43848 -43848 -0.36236 0.62944 0.19997 1.4956e+05 2023-02-16 04:05:31,516 INFO [main.py:643]
{rank 0/100} MD step = 305500 step time: 00:00:00.020536 Performance: 313.420 ns/day 0.077 hours/ns 36.276 steps/s 2023-02-16 04:05:32,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305500 30550 40.525 -39319 4441.6 -43760 -43760 -0.36151 0.62929 0.20035 1.4962e+05 2023-02-16 04:05:34,419 INFO [main.py:643]
{rank 0/100} MD step = 305600 step time: 00:00:00.020351 Performance: 313.415 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:05:35,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305600 30560 40.381 -39479 4425.8 -43905 -43905 -0.36162 0.62886 0.20054 1.4966e+05 2023-02-16 04:05:37,471 INFO [main.py:643]
{rank 0/100} MD step = 305700 step time: 00:00:00.020781 Performance: 313.404 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:05:38,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305700 30570 39.923 -39477 4375.6 -43853 -43853 -0.36261 0.62921 0.20121 1.4971e+05 2023-02-16 04:05:40,307 INFO [main.py:643]
{rank 0/100} MD step = 305800 step time: 00:00:00.020527 Performance: 313.401 ns/day 0.077 hours/ns 36.273 steps/s 2023-02-16 04:05:40,945 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305800 30580 40.046 -39481 4389.1 -43870 -43870 -0.36437 0.62961 0.20237 1.4974e+05 2023-02-16 04:05:42,995 INFO [main.py:643]
{rank 0/100} MD step = 305900 step time: 00:00:00.020591 Performance: 313.404 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:05:43,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305900 30590 40.07 -39465 4391.7 -43856 -43856 -0.36292 0.62962 0.20257 1.498e+05 2023-02-16 04:05:45,657 INFO [main.py:643]
{rank 0/100} MD step = 306000 step time: 00:00:00.020445 Performance: 313.407 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:05:46,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306000 30600 40.155 -39397 4401.1 -43798 -43798 -0.36263 0.63076 0.20234 1.4986e+05 2023-02-16 04:05:48,349 INFO [main.py:643]
{rank 0/100} MD step = 306100 step time: 00:00:00.021790 Performance: 313.410 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:05:48,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306100 30610 40.436 -39405 4431.8 -43837 -43837 -0.36248 0.63123 0.20253 1.4991e+05 2023-02-16 04:05:51,041 INFO [main.py:643]
{rank 0/100} MD step = 306200 step time: 00:00:00.020525 Performance: 313.412 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:05:51,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306200 30620 39.921 -39451 4375.4 -43826 -43826 -0.36221 0.63152 0.20234 1.4997e+05 2023-02-16 04:05:53,937 INFO [main.py:643]
{rank 0/100} MD step = 306300 step time: 00:00:00.020960 Performance: 313.407 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:05:54,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306300 30630 40.201 -39447 4406.1 -43853 -43853 -0.36211 0.63234 0.20275 1.5002e+05 2023-02-16 04:05:56,640 INFO [main.py:643]
{rank 0/100} MD step = 306400 step time: 00:00:00.021562 Performance: 313.409 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:05:57,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306400 30640 40.295 -39392 4416.4 -43809 -43809 -0.36283 0.63177 0.2031 1.5008e+05 2023-02-16 04:05:59,379 INFO [main.py:643]
{rank 0/100} MD step = 306500 step time: 00:00:00.020363 Performance: 313.410 ns/day 0.077 hours/ns 36.274 steps/s 2023-02-16 04:05:59,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306500 30650 40.329 -39438 4420.2 -43859 -43859 -0.36357 0.63134 0.20227 1.5013e+05 2023-02-16 04:06:02,068 INFO [main.py:643]
{rank 0/100} MD step = 306600 step time: 00:00:00.020535 Performance: 313.412 ns/day 0.077 hours/ns 36.275 steps/s 2023-02-16 04:06:02,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306600 30660 39.351 -39518 4313 -43831 -43831 -0.36426 0.63108 0.20254 1.5017e+05 2023-02-16 04:06:05,672 INFO [main.py:643]
{rank 0/100} MD step = 306700 step time: 00:00:00.020531 Performance: 313.381 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:06:06,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306700 30670 39.987 -39440 4382.6 -43822 -43822 -0.36511 0.63061 0.20221 1.5023e+05 2023-02-16 04:06:08,412 INFO [main.py:643]
{rank 0/100} MD step = 306800 step time: 00:00:00.020648 Performance: 313.381 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:06:09,076 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306800 30680 39.661 -39508 4346.9 -43854 -43854 -0.36623 0.63158 0.20312 1.5027e+05 2023-02-16 04:06:11,112 INFO [main.py:643]
{rank 0/100} MD step = 306900 step time: 00:00:00.021062 Performance: 313.383 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:06:11,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306900 30690 40.18 -39360 4403.8 -43764 -43764 -0.36673 0.63198 0.2038 1.5032e+05 2023-02-16 04:06:13,901 INFO [main.py:643]
{rank 0/100} MD step = 307000 step time: 00:00:00.020427 Performance: 313.382 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:06:14,523 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307000 30700 39.814 -39465 4363.6 -43829 -43829 -0.36697 0.63251 0.20493 1.5037e+05 2023-02-16 04:06:16,649 INFO [main.py:643]
{rank 0/100} MD step = 307100 step time: 00:00:00.020477 Performance: 313.383 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:06:17,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307100 30710 39.876 -39448 4370.5 -43818 -43818 -0.3682 0.63315 0.20394 1.5042e+05 2023-02-16 04:06:19,340 INFO [main.py:643]
{rank 0/100} MD step = 307200 step time: 00:00:00.020505 Performance: 313.385 ns/day 0.077 hours/ns 36.271 steps/s 2023-02-16 04:06:21,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307200 30720 40.271 -39471 4413.7 -43884 -43884 -0.3683 0.63331 0.20408 1.5045e+05 2023-02-16 04:06:23,205 INFO [main.py:643]
{rank 0/100} MD step = 307300 step time: 00:00:00.020700 Performance: 313.344 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:23,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307300 30730 39.641 -39446 4344.7 -43790 -43790 -0.36812 0.63396 0.2041 1.5051e+05 2023-02-16 04:06:25,892 INFO [main.py:643]
{rank 0/100} MD step = 307400 step time: 00:00:00.020630 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:26,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307400 30740 39.674 -39534 4348.3 -43882 -43882 -0.36815 0.63467 0.20344 1.5054e+05 2023-02-16 04:06:28,709 INFO [main.py:643]
{rank 0/100} MD step = 307500 step time: 00:00:00.020516 Performance: 313.344 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:29,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307500 30750 39.768 -39418 4358.7 -43777 -43777 -0.36789 0.63478 0.20315 1.5059e+05 2023-02-16 04:06:31,390 INFO [main.py:643]
{rank 0/100} MD step = 307600 step time: 00:00:00.020634 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:32,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307600 30760 39.982 -39492 4382.1 -43875 -43875 -0.36858 0.6352 0.20213 1.5064e+05 2023-02-16 04:06:34,126 INFO [main.py:643]
{rank 0/100} MD step = 307700 step time: 00:00:00.020473 Performance: 313.348 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:34,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307700 30770 39.999 -39437 4383.9 -43821 -43821 -0.36882 0.6359 0.202 1.5068e+05 2023-02-16 04:06:36,816 INFO [main.py:643]
{rank 0/100} MD step = 307800 step time: 00:00:00.020563 Performance: 313.350 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:37,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307800 30780 39.587 -39520 4338.8 -43859 -43859 -0.36908 0.63629 0.20205 1.5072e+05 2023-02-16 04:06:39,554 INFO [main.py:643]
{rank 0/100} MD step = 307900 step time: 00:00:00.020439 Performance: 313.351 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:40,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307900 30790 40.161 -39442 4401.7 -43844 -43844 -0.36903 0.63595 0.20272 1.5078e+05 2023-02-16 04:06:42,259 INFO [main.py:643]
{rank 0/100} MD step = 308000 step time: 00:00:00.020544 Performance: 313.353 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:06:42,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308000 30800 39.692 -39510 4350.3 -43860 -43860 -0.36938 0.6363 0.20187 1.5082e+05 2023-02-16 04:06:45,078 INFO [main.py:643]
{rank 0/100} MD step = 308100 step time: 00:00:00.020638 Performance: 313.351 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:45,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308100 30810 40.05 -39449 4389.6 -43838 -43838 -0.36909 0.63679 0.20275 1.5086e+05 2023-02-16 04:06:47,899 INFO [main.py:643]
{rank 0/100} MD step = 308200 step time: 00:00:00.020474 Performance: 313.348 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:48,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308200 30820 39.966 -39454 4380.3 -43834 -43834 -0.36922 0.63665 0.20306 1.5092e+05 2023-02-16 04:06:50,640 INFO [main.py:643]
{rank 0/100} MD step = 308300 step time: 00:00:00.020581 Performance: 313.349 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:51,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308300 30830 39.751 -39553 4356.8 -43910 -43910 -0.37062 0.63744 0.203 1.5096e+05 2023-02-16 04:06:53,411 INFO [main.py:643]
{rank 0/100} MD step = 308400 step time: 00:00:00.021516 Performance: 313.349 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:54,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308400 30840 39.907 -39434 4373.9 -43808 -43808 -0.3701 0.63816 0.20358 1.5102e+05 2023-02-16 04:06:56,125 INFO [main.py:643]
{rank 0/100} MD step = 308500 step time: 00:00:00.020381 Performance: 313.350 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:56,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308500 30850 40.38 -39359 4425.7 -43784 -43784 -0.36975 0.63899 0.20432 1.5106e+05 2023-02-16 04:06:58,879 INFO [main.py:643]
{rank 0/100} MD step = 308600 step time: 00:00:00.020537 Performance: 313.350 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:06:59,275 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308600 30860 39.851 -39499 4367.8 -43867 -43867 -0.36841 0.63816 0.20464 1.5112e+05 2023-02-16 04:07:01,609 INFO [main.py:643]
{rank 0/100} MD step = 308700 step time: 00:00:00.020715 Performance: 313.351 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:07:02,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308700 30870 39.596 -39518 4339.8 -43857 -43857 -0.36775 0.63724 0.20425 1.5116e+05 2023-02-16 04:07:04,282 INFO [main.py:643]
{rank 0/100} MD step = 308800 step time: 00:00:00.020336 Performance: 313.354 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:07:04,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308800 30880 40.269 -39385 4413.6 -43799 -43799 -0.3683 0.63745 0.20411 1.5121e+05 2023-02-16 04:07:07,007 INFO [main.py:643]
{rank 0/100} MD step = 308900 step time: 00:00:00.020570 Performance: 313.356 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:07:07,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308900 30890 40.302 -39415 4417.1 -43832 -43832 -0.36687 0.63773 0.20379 1.5125e+05 2023-02-16 04:07:09,899 INFO [main.py:643]
{rank 0/100} MD step = 309000 step time: 00:00:00.020640 Performance: 313.351 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:07:10,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309000 30900 39.866 -39424 4369.4 -43794 -43794 -0.36556 0.63791 0.2038 1.5131e+05 2023-02-16 04:07:12,651 INFO [main.py:643]
{rank 0/100} MD step = 309100 step time: 00:00:00.020645 Performance: 313.351 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:07:13,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309100 30910 40.018 -39413 4386 -43799 -43799 -0.36487 0.63806 0.20336 1.5136e+05 2023-02-16 04:07:15,338 INFO [main.py:643]
{rank 0/100} MD step = 309200 step time: 00:00:00.020598 Performance: 313.353 ns/day 0.077 hours/ns 36.268 steps/s 2023-02-16 04:07:16,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309200 30920 39.817 -39456 4364 -43820 -43820 -0.3659 0.63801 0.20434 1.514e+05 2023-02-16 04:07:18,482 INFO [main.py:643]
{rank 0/100} MD step = 309300 step time: 00:00:00.020420 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:18,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309300 30930 39.667 -39494 4347.6 -43842 -43842 -0.367 0.63868 0.20503 1.5145e+05 2023-02-16 04:07:21,169 INFO [main.py:643]
{rank 0/100} MD step = 309400 step time: 00:00:00.020545 Performance: 313.342 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:22,066 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309400 30940 39.75 -39436 4356.7 -43793 -43793 -0.36655 0.63912 0.20582 1.515e+05 2023-02-16 04:07:24,110 INFO [main.py:643]
{rank 0/100} MD step = 309500 step time: 00:00:00.020437 Performance: 313.335 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:24,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309500 30950 39.545 -39467 4334.2 -43802 -43802 -0.36612 0.63942 0.20767 1.5154e+05 2023-02-16 04:07:26,779 INFO [main.py:643]
{rank 0/100} MD step = 309600 step time: 00:00:00.020377 Performance: 313.338 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:27,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309600 30960 40.085 -39455 4393.3 -43848 -43848 -0.36749 0.64027 0.20872 1.5159e+05 2023-02-16 04:07:29,577 INFO [main.py:643]
{rank 0/100} MD step = 309700 step time: 00:00:00.020413 Performance: 313.337 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:30,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309700 30970 39.369 -39452 4314.9 -43767 -43767 -0.36819 0.64097 0.20859 1.5163e+05 2023-02-16 04:07:32,252 INFO [main.py:643]
{rank 0/100} MD step = 309800 step time: 00:00:00.020503 Performance: 313.340 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:32,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309800 30980 40.655 -39369 4455.8 -43825 -43825 -0.36717 0.64099 0.20785 1.517e+05 2023-02-16 04:07:34,996 INFO [main.py:643]
{rank 0/100} MD step = 309900 step time: 00:00:00.020431 Performance: 313.340 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:35,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309900 30990 40.212 -39391 4407.3 -43799 -43799 -0.36671 0.64262 0.20752 1.5173e+05 2023-02-16 04:07:37,981 INFO [main.py:643]
{rank 0/100} MD step = 310000 step time: 00:00:00.020593 Performance: 313.332 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:07:38,523 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310000 31000 39.841 -39454 4366.6 -43821 -43821 -0.36789 0.64303 0.20767 1.5176e+05 2023-02-16 04:07:40,716 INFO [main.py:643]
{rank 0/100} MD step = 310100 step time: 00:00:00.020549 Performance: 313.333 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:07:41,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310100 31010 40.311 -39338 4418.1 -43756 -43756 -0.36898 0.64345 0.20796 1.5182e+05 2023-02-16 04:07:43,473 INFO [main.py:643]
{rank 0/100} MD step = 310200 step time: 00:00:00.020705 Performance: 313.333 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:07:44,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310200 31020 40.05 -39406 4389.6 -43796 -43796 -0.36974 0.64436 0.20726 1.5187e+05 2023-02-16 04:07:46,163 INFO [main.py:643]
{rank 0/100} MD step = 310300 step time: 00:00:00.020310 Performance: 313.335 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:46,810 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310300 31030 39.88 -39411 4370.9 -43781 -43781 -0.37092 0.64486 0.20786 1.5191e+05 2023-02-16 04:07:48,858 INFO [main.py:643]
{rank 0/100} MD step = 310400 step time: 00:00:00.020788 Performance: 313.338 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:49,547 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310400 31040 40.201 -39409 4406.1 -43815 -43815 -0.37034 0.64482 0.20763 1.5198e+05 2023-02-16 04:07:51,580 INFO [main.py:643]
{rank 0/100} MD step = 310500 step time: 00:00:00.020504 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:52,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310500 31050 40.383 -39521 4426 -43947 -43947 -0.3699 0.64478 0.20723 1.5203e+05 2023-02-16 04:07:54,293 INFO [main.py:643]
{rank 0/100} MD step = 310600 step time: 00:00:00.020388 Performance: 313.340 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:54,947 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310600 31060 40.227 -39441 4409 -43850 -43850 -0.37065 0.64447 0.20732 1.5208e+05 2023-02-16 04:07:57,013 INFO [main.py:643]
{rank 0/100} MD step = 310700 step time: 00:00:00.020533 Performance: 313.342 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:07:57,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310700 31070 39.91 -39454 4374.2 -43828 -43828 -0.37127 0.64538 0.20668 1.5213e+05 2023-02-16 04:07:59,729 INFO [main.py:643]
{rank 0/100} MD step = 310800 step time: 00:00:00.020599 Performance: 313.343 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:00,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310800 31080 39.816 -39509 4363.9 -43873 -43873 -0.37019 0.64526 0.20675 1.5218e+05 2023-02-16 04:08:02,491 INFO [main.py:643]
{rank 0/100} MD step = 310900 step time: 00:00:00.020394 Performance: 313.343 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:03,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310900 31090 40.325 -39368 4419.7 -43788 -43788 -0.36985 0.646 0.20671 1.5222e+05 2023-02-16 04:08:05,184 INFO [main.py:643]
{rank 0/100} MD step = 311000 step time: 00:00:00.020353 Performance: 313.346 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:05,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311000 31100 39.66 -39531 4346.8 -43877 -43877 -0.37073 0.64624 0.20595 1.5227e+05 2023-02-16 04:08:08,024 INFO [main.py:643]
{rank 0/100} MD step = 311100 step time: 00:00:00.020465 Performance: 313.343 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:08:08,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311100 31110 40.48 -39365 4436.7 -43801 -43801 -0.37184 0.64623 0.20523 1.5232e+05 2023-02-16 04:08:10,649 INFO [main.py:643]
{rank 0/100} MD step = 311200 step time: 00:00:00.020563 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:11,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311200 31120 40.313 -39372 4418.4 -43790 -43790 -0.3716 0.64599 0.20512 1.5238e+05 2023-02-16 04:08:13,482 INFO [main.py:643]
{rank 0/100} MD step = 311300 step time: 00:00:00.020623 Performance: 313.345 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:14,022 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311300 31130 39.185 -39552 4294.8 -43847 -43847 -0.37214 0.64663 0.20558 1.524e+05 2023-02-16 04:08:16,171 INFO [main.py:643]
{rank 0/100} MD step = 311400 step time: 00:00:00.020541 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:16,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311400 31140 39.755 -39474 4357.2 -43831 -43831 -0.37179 0.64674 0.20447 1.5245e+05 2023-02-16 04:08:19,003 INFO [main.py:643]
{rank 0/100} MD step = 311500 step time: 00:00:00.020724 Performance: 313.344 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:19,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311500 31150 40.016 -39453 4385.8 -43839 -43839 -0.37103 0.64714 0.20461 1.525e+05 2023-02-16 04:08:21,688 INFO [main.py:643]
{rank 0/100} MD step = 311600 step time: 00:00:00.020423 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:22,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311600 31160 40.238 -39346 4410.2 -43756 -43756 -0.37175 0.6471 0.20451 1.5254e+05 2023-02-16 04:08:24,458 INFO [main.py:643]
{rank 0/100} MD step = 311700 step time: 00:00:00.020590 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:25,013 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311700 31170 39.985 -39452 4382.4 -43835 -43835 -0.37166 0.64714 0.20449 1.5259e+05 2023-02-16 04:08:27,259 INFO [main.py:643]
{rank 0/100} MD step = 311800 step time: 00:00:00.020488 Performance: 313.345 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:27,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311800 31180 39.89 -39390 4371.9 -43762 -43762 -0.37141 0.64782 0.20531 1.5266e+05 2023-02-16 04:08:29,998 INFO [main.py:643]
{rank 0/100} MD step = 311900 step time: 00:00:00.020397 Performance: 313.346 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:30,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311900 31190 40.292 -39449 4416 -43865 -43865 -0.37209 0.64796 0.20552 1.5271e+05 2023-02-16 04:08:32,712 INFO [main.py:643]
{rank 0/100} MD step = 312000 step time: 00:00:00.020502 Performance: 313.347 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:33,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312000 31200 40.462 -39414 4434.7 -43849 -43849 -0.37324 0.64847 0.20462 1.5274e+05 2023-02-16 04:08:35,433 INFO [main.py:643]
{rank 0/100} MD step = 312100 step time: 00:00:00.020463 Performance: 313.349 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:36,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312100 31210 40.187 -39428 4404.5 -43832 -43832 -0.37312 0.64948 0.20558 1.5281e+05 2023-02-16 04:08:38,270 INFO [main.py:643]
{rank 0/100} MD step = 312200 step time: 00:00:00.021935 Performance: 313.346 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:39,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312200 31220 40.057 -39479 4390.3 -43870 -43870 -0.37304 0.64984 0.20517 1.5283e+05 2023-02-16 04:08:41,278 INFO [main.py:643]
{rank 0/100} MD step = 312300 step time: 00:00:00.032984 Performance: 313.337 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:08:41,942 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312300 31230 40.244 -39423 4410.8 -43834 -43834 -0.37252 0.64952 0.20399 1.5289e+05 2023-02-16 04:08:43,975 INFO [main.py:643]
{rank 0/100} MD step = 312400 step time: 00:00:00.020455 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:08:44,609 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312400 31240 39.636 -39556 4344.1 -43900 -43900 -0.3727 0.64969 0.20411 1.5294e+05 2023-02-16 04:08:46,644 INFO [main.py:643]
{rank 0/100} MD step = 312500 step time: 00:00:00.020456 Performance: 313.342 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:08:47,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312500 31250 39.807 -39481 4362.9 -43844 -43844 -0.37377 0.65027 0.20474 1.5299e+05 2023-02-16 04:08:49,304 INFO [main.py:643]
{rank 0/100} MD step = 312600 step time: 00:00:00.020753 Performance: 313.345 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:50,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312600 31260 40.688 -39394 4459.4 -43854 -43854 -0.37379 0.65038 0.20442 1.5303e+05 2023-02-16 04:08:52,167 INFO [main.py:643]
{rank 0/100} MD step = 312700 step time: 00:00:00.020345 Performance: 313.342 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:08:52,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312700 31270 41.255 -39312 4521.6 -43834 -43834 -0.37409 0.6503 0.20378 1.5308e+05 2023-02-16 04:08:54,897 INFO [main.py:643]
{rank 0/100} MD step = 312800 step time: 00:00:00.020624 Performance: 313.343 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:08:55,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312800 31280 40.21 -39356 4407 -43763 -43763 -0.37484 0.65127 0.20313 1.5312e+05 2023-02-16 04:08:57,677 INFO [main.py:643]
{rank 0/100} MD step = 312900 step time: 00:00:00.020554 Performance: 313.342 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:08:58,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312900 31290 40.384 -39442 4426.1 -43868 -43868 -0.37448 0.65095 0.2031 1.5316e+05 2023-02-16 04:09:00,498 INFO [main.py:643]
{rank 0/100} MD step = 313000 step time: 00:00:00.020560 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:01,155 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313000 31300 40.184 -39420 4404.3 -43824 -43824 -0.376 0.65195 0.20292 1.5321e+05 2023-02-16 04:09:03,359 INFO [main.py:643]
{rank 0/100} MD step = 313100 step time: 00:00:00.020630 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:04,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313100 31310 40.105 -39447 4395.5 -43842 -43842 -0.37633 0.65237 0.20276 1.5326e+05 2023-02-16 04:09:06,095 INFO [main.py:643]
{rank 0/100} MD step = 313200 step time: 00:00:00.020522 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:06,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313200 31320 40.2 -39522 4406 -43928 -43928 -0.37774 0.65314 0.20331 1.5331e+05 2023-02-16 04:09:08,864 INFO [main.py:643]
{rank 0/100} MD step = 313300 step time: 00:00:00.020690 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:09,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313300 31330 39.429 -39491 4321.5 -43813 -43813 -0.37829 0.65394 0.20361 1.5335e+05 2023-02-16 04:09:11,659 INFO [main.py:643]
{rank 0/100} MD step = 313400 step time: 00:00:00.020404 Performance: 313.335 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:12,516 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313400 31340 40.26 -39408 4412.6 -43820 -43820 -0.37941 0.65455 0.20357 1.534e+05 2023-02-16 04:09:14,548 INFO [main.py:643]
{rank 0/100} MD step = 313500 step time: 00:00:00.020309 Performance: 313.330 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:09:15,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313500 31350 39.858 -39496 4368.4 -43864 -43864 -0.37738 0.65517 0.20418 1.5345e+05 2023-02-16 04:09:17,304 INFO [main.py:643]
{rank 0/100} MD step = 313600 step time: 00:00:00.020515 Performance: 313.330 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:09:17,951 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313600 31360 39.565 -39524 4336.3 -43861 -43861 -0.37702 0.65443 0.20399 1.535e+05 2023-02-16 04:09:20,001 INFO [main.py:643]
{rank 0/100} MD step = 313700 step time: 00:00:00.020431 Performance: 313.332 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:09:20,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313700 31370 40.191 -39525 4404.9 -43929 -43929 -0.37806 0.65393 0.20527 1.5356e+05 2023-02-16 04:09:22,771 INFO [main.py:643]
{rank 0/100} MD step = 313800 step time: 00:00:00.020623 Performance: 313.332 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:09:23,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313800 31380 39.657 -39516 4346.5 -43863 -43863 -0.37867 0.65419 0.20483 1.5361e+05 2023-02-16 04:09:25,424 INFO [main.py:643]
{rank 0/100} MD step = 313900 step time: 00:00:00.020405 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:25,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313900 31390 39.995 -39454 4383.5 -43837 -43837 -0.37898 0.65425 0.20554 1.5366e+05 2023-02-16 04:09:28,111 INFO [main.py:643]
{rank 0/100} MD step = 314000 step time: 00:00:00.020545 Performance: 313.338 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:28,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314000 31400 39.357 -39438 4313.6 -43751 -43751 -0.37806 0.65448 0.20644 1.5369e+05 2023-02-16 04:09:30,819 INFO [main.py:643]
{rank 0/100} MD step = 314100 step time: 00:00:00.020552 Performance: 313.340 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:31,519 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314100 31410 39.666 -39510 4347.4 -43858 -43858 -0.37734 0.65409 0.20727 1.5374e+05 2023-02-16 04:09:33,607 INFO [main.py:643]
{rank 0/100} MD step = 314200 step time: 00:00:00.020705 Performance: 313.339 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:34,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314200 31420 39.801 -39403 4362.2 -43766 -43766 -0.37711 0.65468 0.20786 1.5379e+05 2023-02-16 04:09:36,334 INFO [main.py:643]
{rank 0/100} MD step = 314300 step time: 00:00:00.020541 Performance: 313.340 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:36,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314300 31430 40.72 -39362 4463 -43825 -43825 -0.3773 0.65428 0.20815 1.5384e+05 2023-02-16 04:09:39,093 INFO [main.py:643]
{rank 0/100} MD step = 314400 step time: 00:00:00.020532 Performance: 313.340 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:39,735 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314400 31440 39.198 -39602 4296.2 -43898 -43898 -0.37556 0.65507 0.20777 1.5389e+05 2023-02-16 04:09:41,766 INFO [main.py:643]
{rank 0/100} MD step = 314500 step time: 00:00:00.020563 Performance: 313.343 ns/day 0.077 hours/ns 36.267 steps/s 2023-02-16 04:09:42,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314500 31450 40.232 -39375 4409.4 -43784 -43784 -0.37615 0.65548 0.20821 1.5393e+05 2023-02-16 04:09:44,821 INFO [main.py:643]
{rank 0/100} MD step = 314600 step time: 00:00:00.020629 Performance: 313.332 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:09:45,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314600 31460 40.223 -39496 4408.4 -43904 -43904 -0.37583 0.65522 0.20746 1.54e+05 2023-02-16 04:09:47,630 INFO [main.py:643]
{rank 0/100} MD step = 314700 step time: 00:00:00.020495 Performance: 313.330 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:09:48,286 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314700 31470 40.217 -39451 4407.8 -43859 -43859 -0.37681 0.65463 0.20852 1.5406e+05 2023-02-16 04:09:50,328 INFO [main.py:643]
{rank 0/100} MD step = 314800 step time: 00:00:00.020348 Performance: 313.332 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:09:50,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314800 31480 40.306 -39381 4417.6 -43799 -43799 -0.37789 0.6549 0.20905 1.5411e+05 2023-02-16 04:09:53,003 INFO [main.py:643]
{rank 0/100} MD step = 314900 step time: 00:00:00.020536 Performance: 313.335 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:53,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314900 31490 40.192 -39502 4405.1 -43907 -43907 -0.37863 0.65458 0.20925 1.5416e+05 2023-02-16 04:09:55,732 INFO [main.py:643]
{rank 0/100} MD step = 315000 step time: 00:00:00.020535 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:56,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315000 31500 39.644 -39434 4345.1 -43779 -43779 -0.37751 0.65447 0.20866 1.5421e+05 2023-02-16 04:09:58,518 INFO [main.py:643]
{rank 0/100} MD step = 315100 step time: 00:00:00.020400 Performance: 313.335 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:09:59,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315100 31510 39.783 -39496 4360.3 -43857 -43857 -0.37634 0.65466 0.20814 1.5426e+05 2023-02-16 04:10:01,216 INFO [main.py:643]
{rank 0/100} MD step = 315200 step time: 00:00:00.020480 Performance: 313.337 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:10:01,620 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315200 31520 39.687 -39560 4349.8 -43910 -43910 -0.37626 0.6551 0.20806 1.5432e+05 2023-02-16 04:10:04,011 INFO [main.py:643]
{rank 0/100} MD step = 315300 step time: 00:00:00.020500 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:10:04,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315300 31530 39.936 -39549 4377 -43926 -43926 -0.37716 0.65588 0.20834 1.5438e+05 2023-02-16 04:10:06,775 INFO [main.py:643]
{rank 0/100} MD step = 315400 step time: 00:00:00.020477 Performance: 313.336 ns/day 0.077 hours/ns 36.266 steps/s 2023-02-16 04:10:07,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315400 31540 39.284 -39579 4305.6 -43884 -43884 -0.37815 0.6564 0.20803 1.5442e+05 2023-02-16 04:10:09,987 INFO [main.py:643]
{rank 0/100} MD step = 315500 step time: 00:00:00.023606 Performance: 313.319 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:10,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315500 31550 40.297 -39412 4416.6 -43829 -43829 -0.37814 0.65766 0.20879 1.5447e+05 2023-02-16 04:10:12,738 INFO [main.py:643]
{rank 0/100} MD step = 315600 step time: 00:00:00.020462 Performance: 313.320 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:13,492 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315600 31560 40.725 -39304 4463.6 -43767 -43767 -0.37712 0.65773 0.2094 1.5454e+05 2023-02-16 04:10:15,567 INFO [main.py:643]
{rank 0/100} MD step = 315700 step time: 00:00:00.020333 Performance: 313.317 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:16,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315700 31570 39.225 -39552 4299.1 -43851 -43851 -0.37793 0.65832 0.20971 1.5457e+05 2023-02-16 04:10:18,427 INFO [main.py:643]
{rank 0/100} MD step = 315800 step time: 00:00:00.020485 Performance: 313.313 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:10:19,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315800 31580 40.117 -39372 4396.8 -43769 -43769 -0.37693 0.65899 0.21051 1.5463e+05 2023-02-16 04:10:21,224 INFO [main.py:643]
{rank 0/100} MD step = 315900 step time: 00:00:00.020454 Performance: 313.312 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:10:21,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315900 31590 39.711 -39462 4352.4 -43815 -43815 -0.37783 0.65936 0.2098 1.5467e+05 2023-02-16 04:10:23,952 INFO [main.py:643]
{rank 0/100} MD step = 316000 step time: 00:00:00.020322 Performance: 313.313 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:10:24,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316000 31600 39.572 -39515 4337.2 -43852 -43852 -0.37907 0.6595 0.20972 1.5471e+05 2023-02-16 04:10:26,698 INFO [main.py:643]
{rank 0/100} MD step = 316100 step time: 00:00:00.020448 Performance: 313.314 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:10:27,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316100 31610 39.891 -39494 4372.1 -43866 -43866 -0.37896 0.65933 0.21102 1.5476e+05 2023-02-16 04:10:29,464 INFO [main.py:643]
{rank 0/100} MD step = 316200 step time: 00:00:00.020496 Performance: 313.313 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:10:30,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316200 31620 39.545 -39464 4334.1 -43799 -43799 -0.37989 0.65975 0.21064 1.5482e+05 2023-02-16 04:10:32,210 INFO [main.py:643]
{rank 0/100} MD step = 316300 step time: 00:00:00.020512 Performance: 313.314 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:10:32,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316300 31630 40.288 -39373 4415.6 -43788 -43788 -0.38041 0.65912 0.21167 1.5487e+05 2023-02-16 04:10:34,924 INFO [main.py:643]
{rank 0/100} MD step = 316400 step time: 00:00:00.020439 Performance: 313.315 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:10:35,605 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316400 31640 39.572 -39497 4337.2 -43834 -43834 -0.38202 0.65986 0.21169 1.5492e+05 2023-02-16 04:10:37,647 INFO [main.py:643]
{rank 0/100} MD step = 316500 step time: 00:00:00.020447 Performance: 313.316 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:10:38,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316500 31650 39.794 -39430 4361.5 -43791 -43791 -0.38211 0.65985 0.21146 1.5496e+05 2023-02-16 04:10:40,318 INFO [main.py:643]
{rank 0/100} MD step = 316600 step time: 00:00:00.020456 Performance: 313.320 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:40,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316600 31660 39.916 -39473 4374.8 -43848 -43848 -0.38183 0.66011 0.21284 1.5502e+05 2023-02-16 04:10:43,003 INFO [main.py:643]
{rank 0/100} MD step = 316700 step time: 00:00:00.020537 Performance: 313.322 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:43,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316700 31670 40.393 -39339 4427.1 -43766 -43766 -0.3825 0.66021 0.21266 1.5507e+05 2023-02-16 04:10:45,680 INFO [main.py:643]
{rank 0/100} MD step = 316800 step time: 00:00:00.020486 Performance: 313.325 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:46,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316800 31680 40.239 -39413 4410.2 -43823 -43823 -0.38297 0.66064 0.21218 1.5511e+05 2023-02-16 04:10:48,505 INFO [main.py:643]
{rank 0/100} MD step = 316900 step time: 00:00:00.020489 Performance: 313.323 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:48,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316900 31690 39.543 -39498 4333.9 -43832 -43832 -0.38174 0.66105 0.21242 1.5516e+05 2023-02-16 04:10:51,221 INFO [main.py:643]
{rank 0/100} MD step = 317000 step time: 00:00:00.020351 Performance: 313.324 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:51,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317000 31700 40.005 -39466 4384.6 -43851 -43851 -0.38158 0.66118 0.2127 1.552e+05 2023-02-16 04:10:53,994 INFO [main.py:643]
{rank 0/100} MD step = 317100 step time: 00:00:00.020448 Performance: 313.324 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:10:54,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317100 31710 40.146 -39513 4400 -43913 -43913 -0.38168 0.66116 0.2126 1.5521e+05 2023-02-16 04:10:56,651 INFO [main.py:643]
{rank 0/100} MD step = 317200 step time: 00:00:00.020449 Performance: 313.327 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:10:57,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317200 31720 39.586 -39539 4338.6 -43878 -43878 -0.3812 0.66176 0.21296 1.5528e+05 2023-02-16 04:10:59,520 INFO [main.py:643]
{rank 0/100} MD step = 317300 step time: 00:00:00.020532 Performance: 313.323 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:00,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317300 31730 40.073 -39394 4392 -43786 -43786 -0.38255 0.66171 0.21221 1.5532e+05 2023-02-16 04:11:02,238 INFO [main.py:643]
{rank 0/100} MD step = 317400 step time: 00:00:00.020404 Performance: 313.325 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:02,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317400 31740 40.096 -39417 4394.6 -43812 -43812 -0.3834 0.6612 0.21142 1.5539e+05 2023-02-16 04:11:04,933 INFO [main.py:643]
{rank 0/100} MD step = 317500 step time: 00:00:00.020461 Performance: 313.327 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:11:05,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317500 31750 40.123 -39478 4397.6 -43876 -43876 -0.3835 0.66112 0.21175 1.5542e+05 2023-02-16 04:11:07,832 INFO [main.py:643]
{rank 0/100} MD step = 317600 step time: 00:00:00.066145 Performance: 313.322 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:08,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317600 31760 39.72 -39509 4353.3 -43862 -43862 -0.38332 0.66184 0.21174 1.5548e+05 2023-02-16 04:11:10,573 INFO [main.py:643]
{rank 0/100} MD step = 317700 step time: 00:00:00.020622 Performance: 313.322 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:11,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317700 31770 39.921 -39536 4375.4 -43912 -43912 -0.38589 0.66182 0.2114 1.5553e+05 2023-02-16 04:11:13,288 INFO [main.py:643]
{rank 0/100} MD step = 317800 step time: 00:00:00.021897 Performance: 313.324 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:13,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317800 31780 39.895 -39482 4372.5 -43855 -43855 -0.38791 0.66219 0.21235 1.5558e+05 2023-02-16 04:11:16,054 INFO [main.py:643]
{rank 0/100} MD step = 317900 step time: 00:00:00.020492 Performance: 313.324 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:16,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317900 31790 40.427 -39376 4430.8 -43807 -43807 -0.38819 0.66282 0.21246 1.5562e+05 2023-02-16 04:11:18,777 INFO [main.py:643]
{rank 0/100} MD step = 318000 step time: 00:00:00.020412 Performance: 313.325 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:19,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318000 31800 40.103 -39389 4395.3 -43784 -43784 -0.3881 0.66292 0.21278 1.557e+05 2023-02-16 04:11:21,523 INFO [main.py:643]
{rank 0/100} MD step = 318100 step time: 00:00:00.020395 Performance: 313.325 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:22,055 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318100 31810 40.434 -39326 4431.6 -43757 -43757 -0.38886 0.66305 0.21311 1.5575e+05 2023-02-16 04:11:24,255 INFO [main.py:643]
{rank 0/100} MD step = 318200 step time: 00:00:00.020377 Performance: 313.326 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:11:24,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318200 31820 39.571 -39477 4337 -43814 -43814 -0.38957 0.66356 0.21314 1.5578e+05 2023-02-16 04:11:27,025 INFO [main.py:643]
{rank 0/100} MD step = 318300 step time: 00:00:00.020408 Performance: 313.326 ns/day 0.077 hours/ns 36.265 steps/s 2023-02-16 04:11:27,846 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318300 31830 40.143 -39467 4399.7 -43867 -43867 -0.38989 0.66366 0.21262 1.5584e+05 2023-02-16 04:11:30,023 INFO [main.py:643]
{rank 0/100} MD step = 318400 step time: 00:00:00.020468 Performance: 313.317 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:30,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318400 31840 39.771 -39432 4358.9 -43791 -43791 -0.3901 0.66344 0.21175 1.5588e+05 2023-02-16 04:11:32,828 INFO [main.py:643]
{rank 0/100} MD step = 318500 step time: 00:00:00.020519 Performance: 313.315 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:11:33,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318500 31850 39.745 -39455 4356.1 -43811 -43811 -0.39116 0.66351 0.21171 1.5592e+05 2023-02-16 04:11:35,482 INFO [main.py:643]
{rank 0/100} MD step = 318600 step time: 00:00:00.020567 Performance: 313.319 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:36,164 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318600 31860 39.982 -39449 4382.1 -43831 -43831 -0.39262 0.6636 0.2114 1.5596e+05 2023-02-16 04:11:38,251 INFO [main.py:643]
{rank 0/100} MD step = 318700 step time: 00:00:00.021813 Performance: 313.319 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:38,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318700 31870 39.933 -39430 4376.7 -43806 -43806 -0.39256 0.66405 0.21085 1.56e+05 2023-02-16 04:11:40,981 INFO [main.py:643]
{rank 0/100} MD step = 318800 step time: 00:00:00.020374 Performance: 313.320 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:41,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318800 31880 40.13 -39402 4398.3 -43800 -43800 -0.39243 0.66467 0.21152 1.5603e+05 2023-02-16 04:11:43,812 INFO [main.py:643]
{rank 0/100} MD step = 318900 step time: 00:00:00.020604 Performance: 313.317 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:44,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318900 31890 39.659 -39475 4346.7 -43822 -43822 -0.39437 0.66394 0.2113 1.5607e+05 2023-02-16 04:11:46,502 INFO [main.py:643]
{rank 0/100} MD step = 319000 step time: 00:00:00.020267 Performance: 313.320 ns/day 0.077 hours/ns 36.264 steps/s 2023-02-16 04:11:47,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319000 31900 40.276 -39411 4414.3 -43825 -43825 -0.39532 0.66455 0.21275 1.5613e+05 2023-02-16 04:11:49,388 INFO [main.py:643]
{rank 0/100} MD step = 319100 step time: 00:00:00.020337 Performance: 313.315 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:11:50,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319100 31910 40.223 -39404 4408.5 -43813 -43813 -0.39409 0.66589 0.21395 1.5618e+05 2023-02-16 04:11:52,653 INFO [main.py:643]
{rank 0/100} MD step = 319200 step time: 00:00:00.020355 Performance: 313.297 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:11:53,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319200 31920 40.086 -39425 4393.4 -43819 -43819 -0.39408 0.66568 0.21367 1.5623e+05 2023-02-16 04:11:55,699 INFO [main.py:643]
{rank 0/100} MD step = 319300 step time: 00:00:00.020295 Performance: 313.287 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:11:56,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319300 31930 39.481 -39555 4327.2 -43883 -43883 -0.39395 0.66609 0.21323 1.5628e+05 2023-02-16 04:11:58,751 INFO [main.py:643]
{rank 0/100} MD step = 319400 step time: 00:00:00.020361 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:11:59,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319400 31940 39.661 -39489 4346.9 -43836 -43836 -0.3949 0.66632 0.21321 1.5633e+05 2023-02-16 04:12:01,470 INFO [main.py:643]
{rank 0/100} MD step = 319500 step time: 00:00:00.020584 Performance: 313.278 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:02,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319500 31950 39.946 -39416 4378.1 -43794 -43794 -0.39471 0.66727 0.21371 1.5639e+05 2023-02-16 04:12:04,201 INFO [main.py:643]
{rank 0/100} MD step = 319600 step time: 00:00:00.020425 Performance: 313.279 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:04,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319600 31960 40.35 -39400 4422.4 -43823 -43823 -0.3929 0.66759 0.21338 1.5643e+05 2023-02-16 04:12:07,055 INFO [main.py:643]
{rank 0/100} MD step = 319700 step time: 00:00:00.021051 Performance: 313.275 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:07,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319700 31970 39.832 -39409 4365.6 -43775 -43775 -0.39261 0.668 0.21394 1.5648e+05 2023-02-16 04:12:09,835 INFO [main.py:643]
{rank 0/100} MD step = 319800 step time: 00:00:00.020350 Performance: 313.274 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:10,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319800 31980 39.763 -39434 4358 -43792 -43792 -0.39191 0.6675 0.21477 1.5652e+05 2023-02-16 04:12:12,501 INFO [main.py:643]
{rank 0/100} MD step = 319900 step time: 00:00:00.020487 Performance: 313.278 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:13,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319900 31990 39.976 -39542 4381.4 -43924 -43924 -0.3924 0.66739 0.21516 1.5655e+05 2023-02-16 04:12:15,302 INFO [main.py:643]
{rank 0/100} MD step = 320000 step time: 00:00:00.020748 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:15,923 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320000 32000 39.767 -39424 4358.5 -43783 -43783 -0.39179 0.66865 0.21514 1.5662e+05 2023-02-16 04:12:18,030 INFO [main.py:643]
{rank 0/100} MD step = 320100 step time: 00:00:00.020488 Performance: 313.277 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:18,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320100 32010 40.011 -39484 4385.3 -43870 -43870 -0.39305 0.66836 0.21537 1.5665e+05 2023-02-16 04:12:20,828 INFO [main.py:643]
{rank 0/100} MD step = 320200 step time: 00:00:00.020522 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:21,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320200 32020 40.039 -39464 4388.3 -43852 -43852 -0.39388 0.66885 0.2155 1.5671e+05 2023-02-16 04:12:23,606 INFO [main.py:643]
{rank 0/100} MD step = 320300 step time: 00:00:00.020500 Performance: 313.275 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:24,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320300 32030 40.046 -39493 4389 -43882 -43882 -0.39493 0.66933 0.21562 1.5676e+05 2023-02-16 04:12:26,335 INFO [main.py:643]
{rank 0/100} MD step = 320400 step time: 00:00:00.020566 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:26,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320400 32040 40.426 -39410 4430.8 -43840 -43840 -0.39515 0.66909 0.21527 1.5679e+05 2023-02-16 04:12:29,051 INFO [main.py:643]
{rank 0/100} MD step = 320500 step time: 00:00:00.020534 Performance: 313.278 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:29,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320500 32050 39.874 -39449 4370.2 -43819 -43819 -0.39511 0.66918 0.21538 1.5685e+05 2023-02-16 04:12:31,733 INFO [main.py:643]
{rank 0/100} MD step = 320600 step time: 00:00:00.020542 Performance: 313.280 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:32,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320600 32060 39.681 -39493 4349 -43842 -43842 -0.39619 0.66902 0.21445 1.569e+05 2023-02-16 04:12:34,470 INFO [main.py:643]
{rank 0/100} MD step = 320700 step time: 00:00:00.020523 Performance: 313.281 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:35,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320700 32070 39.943 -39466 4377.8 -43843 -43843 -0.39665 0.66987 0.21487 1.5695e+05 2023-02-16 04:12:37,251 INFO [main.py:643]
{rank 0/100} MD step = 320800 step time: 00:00:00.020631 Performance: 313.280 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:37,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320800 32080 40.423 -39477 4430.4 -43908 -43908 -0.39575 0.66969 0.21525 1.5699e+05 2023-02-16 04:12:40,046 INFO [main.py:643]
{rank 0/100} MD step = 320900 step time: 00:00:00.020513 Performance: 313.279 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:40,746 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320900 32090 39.813 -39535 4363.5 -43898 -43898 -0.39526 0.66989 0.21608 1.5704e+05 2023-02-16 04:12:42,827 INFO [main.py:643]
{rank 0/100} MD step = 321000 step time: 00:00:00.020425 Performance: 313.278 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:43,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321000 32100 39.604 -39464 4340.6 -43805 -43805 -0.39587 0.6703 0.21538 1.5709e+05 2023-02-16 04:12:45,594 INFO [main.py:643]
{rank 0/100} MD step = 321100 step time: 00:00:00.020449 Performance: 313.278 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:46,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321100 32110 41.018 -39244 4495.6 -43739 -43739 -0.39567 0.67092 0.21533 1.5714e+05 2023-02-16 04:12:48,280 INFO [main.py:643]
{rank 0/100} MD step = 321200 step time: 00:00:00.021788 Performance: 313.280 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:48,858 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321200 32120 40.615 -39412 4451.4 -43863 -43863 -0.39673 0.67086 0.21569 1.572e+05 2023-02-16 04:12:50,999 INFO [main.py:643]
{rank 0/100} MD step = 321300 step time: 00:00:00.020560 Performance: 313.282 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:12:51,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321300 32130 39.93 -39500 4376.4 -43877 -43877 -0.39503 0.67086 0.21478 1.5723e+05 2023-02-16 04:12:53,686 INFO [main.py:643]
{rank 0/100} MD step = 321400 step time: 00:00:00.020520 Performance: 313.284 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:12:54,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321400 32140 40.688 -39332 4459.5 -43791 -43791 -0.39663 0.67046 0.21502 1.573e+05 2023-02-16 04:12:56,428 INFO [main.py:643]
{rank 0/100} MD step = 321500 step time: 00:00:00.020557 Performance: 313.285 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:12:57,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321500 32150 39.621 -39509 4342.5 -43851 -43851 -0.39704 0.67025 0.2152 1.5734e+05 2023-02-16 04:12:59,205 INFO [main.py:643]
{rank 0/100} MD step = 321600 step time: 00:00:00.020592 Performance: 313.284 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:12:59,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321600 32160 40.065 -39431 4391.1 -43822 -43822 -0.39638 0.67102 0.21512 1.574e+05 2023-02-16 04:13:01,892 INFO [main.py:643]
{rank 0/100} MD step = 321700 step time: 00:00:00.020437 Performance: 313.286 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:13:02,450 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321700 32170 40.066 -39490 4391.3 -43881 -43881 -0.39654 0.67235 0.21549 1.5745e+05 2023-02-16 04:13:04,604 INFO [main.py:643]
{rank 0/100} MD step = 321800 step time: 00:00:00.020269 Performance: 313.288 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:13:05,270 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321800 32180 39.88 -39491 4370.9 -43862 -43862 -0.39663 0.67324 0.21575 1.5749e+05 2023-02-16 04:13:07,496 INFO [main.py:643]
{rank 0/100} MD step = 321900 step time: 00:00:00.020540 Performance: 313.283 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:13:08,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321900 32190 40.246 -39320 4411 -43731 -43731 -0.39595 0.67293 0.21615 1.5755e+05 2023-02-16 04:13:10,202 INFO [main.py:643]
{rank 0/100} MD step = 322000 step time: 00:00:00.020785 Performance: 313.285 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:13:10,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322000 32200 39.962 -39530 4379.9 -43910 -43910 -0.39882 0.67337 0.21609 1.5759e+05 2023-02-16 04:13:12,884 INFO [main.py:643]
{rank 0/100} MD step = 322100 step time: 00:00:00.020479 Performance: 313.288 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:13:13,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322100 32210 40.084 -39487 4393.3 -43880 -43880 -0.39874 0.67389 0.21677 1.5764e+05 2023-02-16 04:13:15,566 INFO [main.py:643]
{rank 0/100} MD step = 322200 step time: 00:00:00.020449 Performance: 313.291 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:13:16,240 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322200 32220 39.923 -39455 4375.6 -43830 -43830 -0.39722 0.67405 0.21755 1.5768e+05 2023-02-16 04:13:18,287 INFO [main.py:643]
{rank 0/100} MD step = 322300 step time: 00:00:00.021713 Performance: 313.292 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:13:19,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322300 32230 40.177 -39406 4403.4 -43809 -43809 -0.39764 0.67475 0.21739 1.5774e+05 2023-02-16 04:13:21,193 INFO [main.py:643]
{rank 0/100} MD step = 322400 step time: 00:00:00.020418 Performance: 313.287 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:13:22,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322400 32240 40.285 -39451 4415.3 -43866 -43866 -0.39986 0.67537 0.21715 1.5779e+05 2023-02-16 04:13:24,345 INFO [main.py:643]
{rank 0/100} MD step = 322500 step time: 00:00:00.020511 Performance: 313.273 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:13:25,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322500 32250 39.988 -39509 4382.8 -43892 -43892 -0.40049 0.67674 0.21747 1.5783e+05 2023-02-16 04:13:27,213 INFO [main.py:643]
{rank 0/100} MD step = 322600 step time: 00:00:00.020639 Performance: 313.269 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:13:27,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322600 32260 40.429 -39449 4431.1 -43880 -43880 -0.40124 0.67685 0.21799 1.5787e+05 2023-02-16 04:13:30,009 INFO [main.py:643]
{rank 0/100} MD step = 322700 step time: 00:00:00.020580 Performance: 313.268 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:13:30,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322700 32270 39.848 -39486 4367.4 -43854 -43854 -0.40262 0.67719 0.21842 1.5793e+05 2023-02-16 04:13:32,848 INFO [main.py:643]
{rank 0/100} MD step = 322800 step time: 00:00:00.020378 Performance: 313.265 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:13:33,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322800 32280 40.374 -39391 4425 -43816 -43816 -0.40351 0.67819 0.21776 1.5799e+05 2023-02-16 04:13:35,646 INFO [main.py:643]
{rank 0/100} MD step = 322900 step time: 00:00:00.020589 Performance: 313.263 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:13:36,152 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322900 32290 40.025 -39415 4386.8 -43802 -43802 -0.40138 0.67816 0.21826 1.5803e+05 2023-02-16 04:13:38,393 INFO [main.py:643]
{rank 0/100} MD step = 323000 step time: 00:00:00.021680 Performance: 313.264 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:13:39,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323000 32300 40.457 -39349 4434.2 -43783 -43783 -0.39949 0.67809 0.21881 1.5808e+05 2023-02-16 04:13:41,136 INFO [main.py:643]
{rank 0/100} MD step = 323100 step time: 00:00:00.020482 Performance: 313.264 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:13:41,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323100 32310 39.919 -39490 4375.2 -43866 -43866 -0.39781 0.67722 0.21908 1.5812e+05 2023-02-16 04:13:43,830 INFO [main.py:643]
{rank 0/100} MD step = 323200 step time: 00:00:00.020553 Performance: 313.266 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:13:44,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323200 32320 39.831 -39462 4365.5 -43827 -43827 -0.39882 0.67684 0.21944 1.5819e+05 2023-02-16 04:13:46,713 INFO [main.py:643]
{rank 0/100} MD step = 323300 step time: 00:00:00.020616 Performance: 313.262 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:13:47,285 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323300 32330 39.943 -39505 4377.8 -43882 -43882 -0.40014 0.67583 0.21935 1.5822e+05 2023-02-16 04:13:49,411 INFO [main.py:643]
{rank 0/100} MD step = 323400 step time: 00:00:00.020448 Performance: 313.264 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:13:50,076 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323400 32340 40.171 -39500 4402.8 -43903 -43903 -0.40017 0.67643 0.21951 1.5827e+05 2023-02-16 04:13:52,115 INFO [main.py:643]
{rank 0/100} MD step = 323500 step time: 00:00:00.020801 Performance: 313.266 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:13:52,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323500 32350 39.704 -39504 4351.6 -43856 -43856 -0.40042 0.6767 0.21895 1.5832e+05 2023-02-16 04:13:54,786 INFO [main.py:643]
{rank 0/100} MD step = 323600 step time: 00:00:00.020621 Performance: 313.269 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:13:55,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323600 32360 39.965 -39404 4380.2 -43784 -43784 -0.3991 0.6772 0.21944 1.5835e+05 2023-02-16 04:13:57,572 INFO [main.py:643]
{rank 0/100} MD step = 323700 step time: 00:00:00.020366 Performance: 313.268 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:13:58,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323700 32370 40.274 -39412 4414 -43826 -43826 -0.39837 0.67775 0.21975 1.5841e+05 2023-02-16 04:14:00,326 INFO [main.py:643]
{rank 0/100} MD step = 323800 step time: 00:00:00.020465 Performance: 313.268 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:14:00,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323800 32380 39.665 -39497 4347.3 -43844 -43844 -0.39783 0.67731 0.21889 1.5844e+05 2023-02-16 04:14:03,031 INFO [main.py:643]
{rank 0/100} MD step = 323900 step time: 00:00:00.020561 Performance: 313.270 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:14:03,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323900 32390 39.884 -39463 4371.3 -43835 -43835 -0.39859 0.67779 0.21931 1.5849e+05 2023-02-16 04:14:05,742 INFO [main.py:643]
{rank 0/100} MD step = 324000 step time: 00:00:00.020545 Performance: 313.272 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:14:06,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324000 32400 40.303 -39393 4417.3 -43810 -43810 -0.3968 0.6784 0.22016 1.5854e+05 2023-02-16 04:14:08,557 INFO [main.py:643]
{rank 0/100} MD step = 324100 step time: 00:00:00.020435 Performance: 313.270 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:14:09,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324100 32410 39.62 -39503 4342.4 -43845 -43845 -0.39558 0.67773 0.221 1.5859e+05 2023-02-16 04:14:11,335 INFO [main.py:643]
{rank 0/100} MD step = 324200 step time: 00:00:00.020458 Performance: 313.269 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:14:11,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324200 32420 40.254 -39476 4411.9 -43888 -43888 -0.39522 0.67765 0.22015 1.5864e+05 2023-02-16 04:14:14,017 INFO [main.py:643]
{rank 0/100} MD step = 324300 step time: 00:00:00.020507 Performance: 313.272 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:14:14,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324300 32430 40.172 -39481 4402.8 -43884 -43884 -0.3966 0.67826 0.22083 1.5868e+05 2023-02-16 04:14:16,706 INFO [main.py:643]
{rank 0/100} MD step = 324400 step time: 00:00:00.020452 Performance: 313.274 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:17,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324400 32440 40.054 -39403 4390 -43793 -43793 -0.39643 0.67807 0.22076 1.5873e+05 2023-02-16 04:14:19,420 INFO [main.py:643]
{rank 0/100} MD step = 324500 step time: 00:00:00.020442 Performance: 313.276 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:20,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324500 32450 39.739 -39369 4355.4 -43724 -43724 -0.39756 0.67818 0.2206 1.5878e+05 2023-02-16 04:14:22,147 INFO [main.py:643]
{rank 0/100} MD step = 324600 step time: 00:00:00.020631 Performance: 313.277 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:22,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324600 32460 40.429 -39422 4431 -43853 -43853 -0.39764 0.67756 0.22074 1.5883e+05 2023-02-16 04:14:24,882 INFO [main.py:643]
{rank 0/100} MD step = 324700 step time: 00:00:00.020487 Performance: 313.278 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:25,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324700 32470 40.403 -39405 4428.2 -43834 -43834 -0.39842 0.67731 0.2202 1.5888e+05 2023-02-16 04:14:27,651 INFO [main.py:643]
{rank 0/100} MD step = 324800 step time: 00:00:00.020438 Performance: 313.277 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:28,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324800 32480 39.496 -39455 4328.8 -43784 -43784 -0.39985 0.67787 0.21923 1.5894e+05 2023-02-16 04:14:30,395 INFO [main.py:643]
{rank 0/100} MD step = 324900 step time: 00:00:00.020507 Performance: 313.278 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:30,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324900 32490 40.17 -39442 4402.7 -43845 -43845 -0.40011 0.67834 0.2189 1.5899e+05 2023-02-16 04:14:33,090 INFO [main.py:643]
{rank 0/100} MD step = 325000 step time: 00:00:00.022373 Performance: 313.280 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:33,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325000 32500 39.852 -39415 4367.9 -43783 -43783 -0.39942 0.67864 0.21895 1.5904e+05 2023-02-16 04:14:35,920 INFO [main.py:643]
{rank 0/100} MD step = 325100 step time: 00:00:00.020773 Performance: 313.277 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:36,639 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325100 32510 40.323 -39426 4419.5 -43846 -43846 -0.40046 0.6789 0.22044 1.5908e+05 2023-02-16 04:14:38,701 INFO [main.py:643]
{rank 0/100} MD step = 325200 step time: 00:00:00.020526 Performance: 313.277 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:39,411 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325200 32520 39.96 -39422 4379.6 -43802 -43802 -0.39894 0.67968 0.22096 1.5912e+05 2023-02-16 04:14:41,460 INFO [main.py:643]
{rank 0/100} MD step = 325300 step time: 00:00:00.020402 Performance: 313.277 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:42,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325300 32530 40.277 -39357 4414.5 -43772 -43772 -0.39934 0.67988 0.22019 1.5919e+05 2023-02-16 04:14:44,121 INFO [main.py:643]
{rank 0/100} MD step = 325400 step time: 00:00:00.020408 Performance: 313.280 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:44,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325400 32540 40.058 -39401 4390.4 -43792 -43792 -0.39861 0.68042 0.22096 1.5922e+05 2023-02-16 04:14:46,840 INFO [main.py:643]
{rank 0/100} MD step = 325500 step time: 00:00:00.020636 Performance: 313.281 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:47,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325500 32550 39.383 -39473 4316.4 -43790 -43790 -0.39896 0.68034 0.22047 1.5927e+05 2023-02-16 04:14:49,616 INFO [main.py:643]
{rank 0/100} MD step = 325600 step time: 00:00:00.020627 Performance: 313.281 ns/day 0.077 hours/ns 36.259 steps/s 2023-02-16 04:14:50,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325600 32560 39.94 -39545 4377.4 -43922 -43922 -0.39878 0.68017 0.22068 1.593e+05 2023-02-16 04:14:52,273 INFO [main.py:643]
{rank 0/100} MD step = 325700 step time: 00:00:00.020433 Performance: 313.284 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:14:52,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325700 32570 40.038 -39473 4388.3 -43861 -43861 -0.40053 0.68079 0.22066 1.5936e+05 2023-02-16 04:14:54,984 INFO [main.py:643]
{rank 0/100} MD step = 325800 step time: 00:00:00.020420 Performance: 313.286 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:14:55,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325800 32580 39.616 -39439 4342 -43781 -43781 -0.39995 0.68176 0.22071 1.594e+05 2023-02-16 04:14:57,696 INFO [main.py:643]
{rank 0/100} MD step = 325900 step time: 00:00:00.020560 Performance: 313.287 ns/day 0.077 hours/ns 36.260 steps/s 2023-02-16 04:14:58,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325900 32590 40.601 -39368 4449.9 -43818 -43818 -0.39856 0.68143 0.22096 1.5945e+05 2023-02-16 04:15:00,351 INFO [main.py:643]
{rank 0/100} MD step = 326000 step time: 00:00:00.020284 Performance: 313.291 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:01,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326000 32600 39.861 -39408 4368.9 -43777 -43777 -0.39832 0.68241 0.22173 1.5949e+05 2023-02-16 04:15:03,097 INFO [main.py:643]
{rank 0/100} MD step = 326100 step time: 00:00:00.020462 Performance: 313.291 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:03,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326100 32610 39.966 -39456 4380.3 -43837 -43837 -0.39867 0.6824 0.22209 1.5954e+05 2023-02-16 04:15:05,791 INFO [main.py:643]
{rank 0/100} MD step = 326200 step time: 00:00:00.020485 Performance: 313.294 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:06,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326200 32620 40.389 -39451 4426.7 -43878 -43878 -0.39842 0.68252 0.22279 1.5959e+05 2023-02-16 04:15:08,473 INFO [main.py:643]
{rank 0/100} MD step = 326300 step time: 00:00:00.020594 Performance: 313.296 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:09,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326300 32630 39.632 -39466 4343.7 -43810 -43810 -0.39867 0.68247 0.22246 1.5964e+05 2023-02-16 04:15:11,207 INFO [main.py:643]
{rank 0/100} MD step = 326400 step time: 00:00:00.020549 Performance: 313.297 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:11,921 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326400 32640 39.49 -39479 4328.2 -43807 -43807 -0.39816 0.68272 0.2227 1.5968e+05 2023-02-16 04:15:13,960 INFO [main.py:643]
{rank 0/100} MD step = 326500 step time: 00:00:00.021993 Performance: 313.297 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:14,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326500 32650 39.558 -39573 4335.6 -43908 -43908 -0.398 0.68288 0.22276 1.5974e+05 2023-02-16 04:15:16,721 INFO [main.py:643]
{rank 0/100} MD step = 326600 step time: 00:00:00.020315 Performance: 313.297 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:17,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326600 32660 39.604 -39395 4340.6 -43736 -43736 -0.39833 0.68269 0.2231 1.5979e+05 2023-02-16 04:15:19,480 INFO [main.py:643]
{rank 0/100} MD step = 326700 step time: 00:00:00.020380 Performance: 313.297 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:20,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326700 32670 39.725 -39469 4354 -43823 -43823 -0.39747 0.68301 0.22259 1.5983e+05 2023-02-16 04:15:22,146 INFO [main.py:643]
{rank 0/100} MD step = 326800 step time: 00:00:00.020471 Performance: 313.300 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:22,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326800 32680 40.401 -39351 4428 -43779 -43779 -0.39772 0.68312 0.2227 1.5988e+05 2023-02-16 04:15:24,820 INFO [main.py:643]
{rank 0/100} MD step = 326900 step time: 00:00:00.020554 Performance: 313.303 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:25,493 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326900 32690 39.885 -39475 4371.4 -43846 -43846 -0.39804 0.68268 0.22281 1.5994e+05 2023-02-16 04:15:27,524 INFO [main.py:643]
{rank 0/100} MD step = 327000 step time: 00:00:00.020389 Performance: 313.305 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:28,535 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327000 32700 39.665 -39449 4347.3 -43796 -43796 -0.39913 0.68171 0.22268 1.5998e+05 2023-02-16 04:15:30,582 INFO [main.py:643]
{rank 0/100} MD step = 327100 step time: 00:00:00.020541 Performance: 313.295 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:31,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327100 32710 39.902 -39494 4373.3 -43867 -43867 -0.4007 0.68229 0.22234 1.6002e+05 2023-02-16 04:15:33,251 INFO [main.py:643]
{rank 0/100} MD step = 327200 step time: 00:00:00.020524 Performance: 313.298 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:33,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327200 32720 40.21 -39426 4407 -43833 -43833 -0.40084 0.68276 0.22249 1.6008e+05 2023-02-16 04:15:35,948 INFO [main.py:643]
{rank 0/100} MD step = 327300 step time: 00:00:00.020458 Performance: 313.300 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:36,592 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327300 32730 39.622 -39479 4342.6 -43821 -43821 -0.40119 0.68277 0.22253 1.6015e+05 2023-02-16 04:15:38,663 INFO [main.py:643]
{rank 0/100} MD step = 327400 step time: 00:00:00.020597 Performance: 313.301 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:39,385 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327400 32740 39.925 -39466 4375.8 -43842 -43842 -0.40097 0.68291 0.22224 1.6019e+05 2023-02-16 04:15:41,514 INFO [main.py:643]
{rank 0/100} MD step = 327500 step time: 00:00:00.020396 Performance: 313.298 ns/day 0.077 hours/ns 36.261 steps/s 2023-02-16 04:15:42,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327500 32750 39.629 -39524 4343.4 -43867 -43867 -0.40106 0.68282 0.22277 1.6022e+05 2023-02-16 04:15:44,211 INFO [main.py:643]
{rank 0/100} MD step = 327600 step time: 00:00:00.020567 Performance: 313.300 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:44,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327600 32760 40.49 -39320 4437.7 -43758 -43758 -0.40092 0.68341 0.22258 1.6028e+05 2023-02-16 04:15:46,922 INFO [main.py:643]
{rank 0/100} MD step = 327700 step time: 00:00:00.020574 Performance: 313.302 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:47,510 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327700 32770 40.024 -39511 4386.7 -43897 -43897 -0.40195 0.68391 0.22234 1.6033e+05 2023-02-16 04:15:49,612 INFO [main.py:643]
{rank 0/100} MD step = 327800 step time: 00:00:00.020441 Performance: 313.304 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:50,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327800 32780 40.069 -39467 4391.6 -43859 -43859 -0.40266 0.68426 0.22219 1.6038e+05 2023-02-16 04:15:52,333 INFO [main.py:643]
{rank 0/100} MD step = 327900 step time: 00:00:00.020543 Performance: 313.305 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:52,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327900 32790 40.413 -39351 4429.3 -43781 -43781 -0.40183 0.68425 0.22241 1.6045e+05 2023-02-16 04:15:55,039 INFO [main.py:643]
{rank 0/100} MD step = 328000 step time: 00:00:00.020387 Performance: 313.307 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:55,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328000 32800 40.536 -39376 4442.8 -43818 -43818 -0.40056 0.68314 0.22267 1.605e+05 2023-02-16 04:15:57,802 INFO [main.py:643]
{rank 0/100} MD step = 328100 step time: 00:00:00.020388 Performance: 313.307 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:15:58,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328100 32810 39.628 -39493 4343.2 -43836 -43836 -0.39992 0.68388 0.22264 1.6053e+05 2023-02-16 04:16:00,506 INFO [main.py:643]
{rank 0/100} MD step = 328200 step time: 00:00:00.020666 Performance: 313.309 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:16:00,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328200 32820 40.2 -39394 4406 -43800 -43800 -0.40051 0.6829 0.22236 1.606e+05 2023-02-16 04:16:03,184 INFO [main.py:643]
{rank 0/100} MD step = 328300 step time: 00:00:00.020579 Performance: 313.312 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:16:03,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328300 32830 39.824 -39474 4364.8 -43839 -43839 -0.40118 0.6837 0.22201 1.6063e+05 2023-02-16 04:16:05,983 INFO [main.py:643]
{rank 0/100} MD step = 328400 step time: 00:00:00.020451 Performance: 313.310 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:16:06,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328400 32840 39.642 -39565 4344.8 -43909 -43909 -0.40017 0.68354 0.22208 1.6067e+05 2023-02-16 04:16:08,725 INFO [main.py:643]
{rank 0/100} MD step = 328500 step time: 00:00:00.020435 Performance: 313.311 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:16:09,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328500 32850 39.569 -39527 4336.9 -43864 -43864 -0.39875 0.68389 0.22306 1.6073e+05 2023-02-16 04:16:11,460 INFO [main.py:643]
{rank 0/100} MD step = 328600 step time: 00:00:00.020511 Performance: 313.312 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:16:12,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328600 32860 39.786 -39531 4360.6 -43891 -43891 -0.39878 0.68288 0.22364 1.6078e+05 2023-02-16 04:16:14,547 INFO [main.py:643]
{rank 0/100} MD step = 328700 step time: 00:00:00.020313 Performance: 313.300 ns/day 0.077 hours/ns 36.262 steps/s 2023-02-16 04:16:14,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328700 32870 39.413 -39508 4319.7 -43828 -43828 -0.3985 0.68301 0.22326 1.6081e+05 2023-02-16 04:16:17,019 INFO [main.py:643]
{rank 0/100} MD step = 328800 step time: 00:00:00.020529 Performance: 313.310 ns/day 0.077 hours/ns 36.263 steps/s 2023-02-16 04:16:19,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328800 32880 40.507 -39385 4439.6 -43824 -43824 -0.39797 0.68312 0.22351 1.6087e+05 2023-02-16 04:16:21,127 INFO [main.py:643]
{rank 0/100} MD step = 328900 step time: 00:00:00.020434 Performance: 313.263 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:16:21,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328900 32890 40.458 -39373 4434.3 -43807 -43807 -0.39874 0.68376 0.22294 1.6092e+05 2023-02-16 04:16:23,932 INFO [main.py:643]
{rank 0/100} MD step = 329000 step time: 00:00:00.020406 Performance: 313.262 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:16:24,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329000 32900 39.845 -39400 4367.1 -43767 -43767 -0.39772 0.68438 0.22285 1.6098e+05 2023-02-16 04:16:26,783 INFO [main.py:643]
{rank 0/100} MD step = 329100 step time: 00:00:00.020398 Performance: 313.259 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:16:27,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329100 32910 39.547 -39479 4334.4 -43814 -43814 -0.39688 0.68442 0.22397 1.6103e+05 2023-02-16 04:16:29,922 INFO [main.py:643]
{rank 0/100} MD step = 329200 step time: 00:00:00.020318 Performance: 313.245 ns/day 0.077 hours/ns 36.255 steps/s 2023-02-16 04:16:30,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329200 32920 40.642 -39354 4454.4 -43808 -43808 -0.39613 0.68452 0.22434 1.6108e+05 2023-02-16 04:16:32,646 INFO [main.py:643]
{rank 0/100} MD step = 329300 step time: 00:00:00.020491 Performance: 313.247 ns/day 0.077 hours/ns 36.255 steps/s 2023-02-16 04:16:33,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329300 32930 39.823 -39456 4364.6 -43821 -43821 -0.39542 0.68476 0.22463 1.6111e+05 2023-02-16 04:16:35,379 INFO [main.py:643]
{rank 0/100} MD step = 329400 step time: 00:00:00.020434 Performance: 313.247 ns/day 0.077 hours/ns 36.255 steps/s 2023-02-16 04:16:35,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329400 32940 39.579 -39514 4338 -43852 -43852 -0.39511 0.6845 0.22445 1.6115e+05 2023-02-16 04:16:38,103 INFO [main.py:643]
{rank 0/100} MD step = 329500 step time: 00:00:00.020502 Performance: 313.249 ns/day 0.077 hours/ns 36.256 steps/s 2023-02-16 04:16:38,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329500 32950 39.892 -39446 4372.2 -43819 -43819 -0.39444 0.68503 0.224 1.6119e+05 2023-02-16 04:16:40,833 INFO [main.py:643]
{rank 0/100} MD step = 329600 step time: 00:00:00.020648 Performance: 313.250 ns/day 0.077 hours/ns 36.256 steps/s 2023-02-16 04:16:41,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329600 32960 40.031 -39367 4387.4 -43755 -43755 -0.39345 0.68471 0.22245 1.6125e+05 2023-02-16 04:16:43,510 INFO [main.py:643]
{rank 0/100} MD step = 329700 step time: 00:00:00.020505 Performance: 313.252 ns/day 0.077 hours/ns 36.256 steps/s 2023-02-16 04:16:44,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329700 32970 40.342 -39382 4421.5 -43803 -43803 -0.39365 0.68581 0.22271 1.6132e+05 2023-02-16 04:16:46,178 INFO [main.py:643]
{rank 0/100} MD step = 329800 step time: 00:00:00.020390 Performance: 313.256 ns/day 0.077 hours/ns 36.256 steps/s 2023-02-16 04:16:46,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329800 32980 39.662 -39392 4347 -43739 -43739 -0.39397 0.68629 0.22259 1.6137e+05 2023-02-16 04:16:48,832 INFO [main.py:643]
{rank 0/100} MD step = 329900 step time: 00:00:00.020319 Performance: 313.259 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:16:49,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329900 32990 39.765 -39497 4358.3 -43855 -43855 -0.39608 0.68626 0.22319 1.614e+05 2023-02-16 04:16:51,612 INFO [main.py:643]
{rank 0/100} MD step = 330000 step time: 00:00:00.020329 Performance: 313.258 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:16:52,131 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330000 33000 40.089 -39443 4393.8 -43836 -43836 -0.39589 0.68648 0.22328 1.6147e+05 2023-02-16 04:16:54,341 INFO [main.py:643]
{rank 0/100} MD step = 330100 step time: 00:00:00.020483 Performance: 313.259 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:16:55,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330100 33010 39.976 -39438 4381.4 -43819 -43819 -0.39609 0.6874 0.22385 1.6152e+05 2023-02-16 04:16:57,138 INFO [main.py:643]
{rank 0/100} MD step = 330200 step time: 00:00:00.020516 Performance: 313.258 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:16:57,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330200 33020 39.478 -39525 4326.8 -43852 -43852 -0.39564 0.68902 0.2238 1.6157e+05 2023-02-16 04:16:59,924 INFO [main.py:643]
{rank 0/100} MD step = 330300 step time: 00:00:00.020532 Performance: 313.257 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:17:00,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330300 33030 39.837 -39417 4366.2 -43783 -43783 -0.39614 0.68928 0.22367 1.6162e+05 2023-02-16 04:17:02,710 INFO [main.py:643]
{rank 0/100} MD step = 330400 step time: 00:00:00.020373 Performance: 313.256 ns/day 0.077 hours/ns 36.256 steps/s 2023-02-16 04:17:03,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330400 33040 40.015 -39411 4385.7 -43797 -43797 -0.39526 0.68817 0.2237 1.6169e+05 2023-02-16 04:17:05,459 INFO [main.py:643]
{rank 0/100} MD step = 330500 step time: 00:00:00.020490 Performance: 313.256 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:17:06,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330500 33050 40.119 -39382 4397.1 -43779 -43779 -0.3961 0.68771 0.224 1.6174e+05 2023-02-16 04:17:08,187 INFO [main.py:643]
{rank 0/100} MD step = 330600 step time: 00:00:00.021568 Performance: 313.257 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:17:08,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330600 33060 40.174 -39374 4403.2 -43777 -43777 -0.39505 0.68882 0.22376 1.6178e+05 2023-02-16 04:17:10,863 INFO [main.py:643]
{rank 0/100} MD step = 330700 step time: 00:00:00.020389 Performance: 313.260 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:17:11,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330700 33070 39.141 -39504 4289.9 -43794 -43794 -0.39541 0.68985 0.22349 1.6182e+05 2023-02-16 04:17:13,538 INFO [main.py:643]
{rank 0/100} MD step = 330800 step time: 00:00:00.020329 Performance: 313.263 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:17:14,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330800 33080 39.911 -39428 4374.3 -43802 -43802 -0.39614 0.69093 0.22245 1.6189e+05 2023-02-16 04:17:16,283 INFO [main.py:643]
{rank 0/100} MD step = 330900 step time: 00:00:00.020481 Performance: 313.264 ns/day 0.077 hours/ns 36.257 steps/s 2023-02-16 04:17:16,806 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330900 33090 39.252 -39526 4302 -43828 -43828 -0.39697 0.69168 0.22175 1.6194e+05 2023-02-16 04:17:18,994 INFO [main.py:643]
{rank 0/100} MD step = 331000 step time: 00:00:00.020707 Performance: 313.265 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:17:19,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331000 33100 38.958 -39596 4269.9 -43865 -43865 -0.39625 0.69124 0.22239 1.6198e+05 2023-02-16 04:17:21,684 INFO [main.py:643]
{rank 0/100} MD step = 331100 step time: 00:00:00.020457 Performance: 313.267 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:17:22,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331100 33110 40.747 -39398 4466 -43864 -43864 -0.3965 0.69173 0.22296 1.6203e+05 2023-02-16 04:17:24,369 INFO [main.py:643]
{rank 0/100} MD step = 331200 step time: 00:00:00.020552 Performance: 313.270 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:17:25,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331200 33120 40.013 -39395 4385.5 -43780 -43780 -0.39684 0.69165 0.22316 1.6209e+05 2023-02-16 04:17:27,138 INFO [main.py:643]
{rank 0/100} MD step = 331300 step time: 00:00:00.020438 Performance: 313.270 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:17:27,734 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331300 33130 39.547 -39437 4334.4 -43772 -43772 -0.3985 0.69152 0.22304 1.6213e+05 2023-02-16 04:17:29,905 INFO [main.py:643]
{rank 0/100} MD step = 331400 step time: 00:00:00.020456 Performance: 313.269 ns/day 0.077 hours/ns 36.258 steps/s 2023-02-16 04:17:31,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331400 33140 39.649 -39514 4345.5 -43859 -43859 -0.39873 0.69156 0.2233 1.6218e+05 2023-02-16 04:17:34,333 INFO [main.py:643]
{rank 0/100} MD step = 331500 step time: 00:00:00.020492 Performance: 313.212 ns/day 0.077 hours/ns 36.251 steps/s 2023-02-16 04:17:35,073 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331500 33150 39.403 -39548 4318.6 -43866 -43866 -0.39812 0.69261 0.22354 1.6224e+05 2023-02-16 04:17:37,113 INFO [main.py:643]
{rank 0/100} MD step = 331600 step time: 00:00:00.020586 Performance: 313.211 ns/day 0.077 hours/ns 36.251 steps/s 2023-02-16 04:17:37,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331600 33160 40.665 -39383 4456.9 -43840 -43840 -0.39903 0.69284 0.22363 1.6228e+05 2023-02-16 04:17:39,835 INFO [main.py:643]
{rank 0/100} MD step = 331700 step time: 00:00:00.020488 Performance: 313.213 ns/day 0.077 hours/ns 36.251 steps/s 2023-02-16 04:17:40,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331700 33170 40.6 -39345 4449.8 -43795 -43795 -0.39934 0.69328 0.22306 1.6234e+05 2023-02-16 04:17:42,649 INFO [main.py:643]
{rank 0/100} MD step = 331800 step time: 00:00:00.020331 Performance: 313.211 ns/day 0.077 hours/ns 36.251 steps/s 2023-02-16 04:17:43,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331800 33180 40.062 -39483 4390.9 -43874 -43874 -0.39809 0.69346 0.223 1.6238e+05 2023-02-16 04:17:45,605 INFO [main.py:643]
{rank 0/100} MD step = 331900 step time: 00:00:00.020443 Performance: 313.204 ns/day 0.077 hours/ns 36.250 steps/s 2023-02-16 04:17:46,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331900 33190 40.259 -39340 4412.4 -43752 -43752 -0.39924 0.69352 0.22273 1.6243e+05 2023-02-16 04:17:48,325 INFO [main.py:643]
{rank 0/100} MD step = 332000 step time: 00:00:00.021724 Performance: 313.205 ns/day 0.077 hours/ns 36.251 steps/s 2023-02-16 04:17:48,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332000 33200 40.02 -39506 4386.2 -43892 -43892 -0.39859 0.6945 0.22212 1.6249e+05 2023-02-16 04:17:51,099 INFO [main.py:643]
{rank 0/100} MD step = 332100 step time: 00:00:00.020422 Performance: 313.205 ns/day 0.077 hours/ns 36.251 steps/s 2023-02-16 04:17:53,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332100 33210 40.024 -39497 4386.7 -43883 -43883 -0.39832 0.69414 0.22096 1.6255e+05 2023-02-16 04:17:55,205 INFO [main.py:643]
{rank 0/100} MD step = 332200 step time: 00:00:00.020441 Performance: 313.159 ns/day 0.077 hours/ns 36.245 steps/s 2023-02-16 04:17:55,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332200 33220 40.409 -39389 4428.9 -43818 -43818 -0.39823 0.69428 0.22096 1.6258e+05 2023-02-16 04:17:58,324 INFO [main.py:643]
{rank 0/100} MD step = 332300 step time: 00:00:00.022176 Performance: 313.146 ns/day 0.077 hours/ns 36.244 steps/s 2023-02-16 04:17:58,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332300 33230 40.396 -39431 4427.5 -43858 -43858 -0.39742 0.69467 0.22203 1.6265e+05 2023-02-16 04:18:01,108 INFO [main.py:643]
{rank 0/100} MD step = 332400 step time: 00:00:00.020448 Performance: 313.146 ns/day 0.077 hours/ns 36.244 steps/s 2023-02-16 04:18:01,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332400 33240 40.022 -39438 4386.4 -43824 -43824 -0.39605 0.69481 0.22173 1.6269e+05 2023-02-16 04:18:03,841 INFO [main.py:643]
{rank 0/100} MD step = 332500 step time: 00:00:00.020496 Performance: 313.146 ns/day 0.077 hours/ns 36.244 steps/s 2023-02-16 04:18:04,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332500 33250 39.958 -39422 4379.4 -43802 -43802 -0.39702 0.69521 0.22119 1.6275e+05 2023-02-16 04:18:06,557 INFO [main.py:643]
{rank 0/100} MD step = 332600 step time: 00:00:00.020527 Performance: 313.148 ns/day 0.077 hours/ns 36.244 steps/s 2023-02-16 04:18:07,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332600 33260 39.823 -39506 4364.7 -43871 -43871 -0.39735 0.69617 0.22117 1.6279e+05 2023-02-16 04:18:09,525 INFO [main.py:643]
{rank 0/100} MD step = 332700 step time: 00:00:00.020554 Performance: 313.141 ns/day 0.077 hours/ns 36.243 steps/s 2023-02-16 04:18:10,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332700 33270 39.655 -39545 4346.3 -43891 -43891 -0.39663 0.696 0.22154 1.6284e+05 2023-02-16 04:18:12,438 INFO [main.py:643]
{rank 0/100} MD step = 332800 step time: 00:00:00.020553 Performance: 313.136 ns/day 0.077 hours/ns 36.243 steps/s 2023-02-16 04:18:13,068 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332800 33280 39.583 -39561 4338.4 -43899 -43899 -0.39694 0.69692 0.22172 1.6289e+05 2023-02-16 04:18:15,222 INFO [main.py:643]
{rank 0/100} MD step = 332900 step time: 00:00:00.025320 Performance: 313.135 ns/day 0.077 hours/ns 36.242 steps/s 2023-02-16 04:18:15,887 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332900 33290 40.024 -39400 4386.6 -43786 -43786 -0.3978 0.69778 0.22167 1.6293e+05 2023-02-16 04:18:18,268 INFO [main.py:643]
{rank 0/100} MD step = 333000 step time: 00:00:00.021798 Performance: 313.125 ns/day 0.077 hours/ns 36.241 steps/s 2023-02-16 04:18:19,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333000 33300 40.242 -39348 4410.6 -43759 -43759 -0.39816 0.69831 0.22154 1.6299e+05 2023-02-16 04:18:21,061 INFO [main.py:643]
{rank 0/100} MD step = 333100 step time: 00:00:00.020379 Performance: 313.124 ns/day 0.077 hours/ns 36.241 steps/s 2023-02-16 04:18:21,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333100 33310 39.917 -39363 4375 -43738 -43738 -0.39941 0.6986 0.22167 1.6304e+05 2023-02-16 04:18:23,763 INFO [main.py:643]
{rank 0/100} MD step = 333200 step time: 00:00:00.020483 Performance: 313.126 ns/day 0.077 hours/ns 36.241 steps/s 2023-02-16 04:18:24,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333200 33320 39.917 -39420 4375 -43795 -43795 -0.39842 0.69964 0.22211 1.6307e+05 2023-02-16 04:18:26,529 INFO [main.py:643]
{rank 0/100} MD step = 333300 step time: 00:00:00.020542 Performance: 313.126 ns/day 0.077 hours/ns 36.241 steps/s 2023-02-16 04:18:27,131 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333300 33330 39.852 -39505 4367.8 -43873 -43873 -0.39907 0.69916 0.22167 1.6313e+05 2023-02-16 04:18:29,229 INFO [main.py:643]
{rank 0/100} MD step = 333400 step time: 00:00:00.020414 Performance: 313.128 ns/day 0.077 hours/ns 36.242 steps/s 2023-02-16 04:18:29,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333400 33340 39.701 -39424 4351.2 -43775 -43775 -0.39827 0.69928 0.22141 1.6318e+05 2023-02-16 04:18:31,983 INFO [main.py:643]
{rank 0/100} MD step = 333500 step time: 00:00:00.020468 Performance: 313.128 ns/day 0.077 hours/ns 36.242 steps/s 2023-02-16 04:18:32,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333500 33350 39.999 -39497 4384 -43881 -43881 -0.39701 0.69917 0.22201 1.6321e+05 2023-02-16 04:18:34,697 INFO [main.py:643]
{rank 0/100} MD step = 333600 step time: 00:00:00.020455 Performance: 313.129 ns/day 0.077 hours/ns 36.242 steps/s 2023-02-16 04:18:35,563 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333600 33360 39.903 -39449 4373.5 -43823 -43823 -0.39607 0.69877 0.22185 1.6325e+05 2023-02-16 04:18:37,733 INFO [main.py:643]
{rank 0/100} MD step = 333700 step time: 00:00:00.020421 Performance: 313.120 ns/day 0.077 hours/ns 36.241 steps/s 2023-02-16 04:18:38,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333700 33370 40.239 -39481 4410.2 -43891 -43891 -0.39581 0.69897 0.22188 1.6329e+05 2023-02-16 04:18:40,464 INFO [main.py:643]
{rank 0/100} MD step = 333800 step time: 00:00:00.021895 Performance: 313.121 ns/day 0.077 hours/ns 36.241 steps/s 2023-02-16 04:18:42,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333800 33380 40.505 -39434 4439.3 -43873 -43873 -0.39577 0.69887 0.22188 1.6335e+05 2023-02-16 04:18:44,348 INFO [main.py:643]
{rank 0/100} MD step = 333900 step time: 00:00:00.020690 Performance: 313.083 ns/day 0.077 hours/ns 36.236 steps/s 2023-02-16 04:18:44,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333900 33390 39.887 -39469 4371.7 -43840 -43840 -0.39583 0.69958 0.22129 1.634e+05 2023-02-16 04:18:47,029 INFO [main.py:643]
{rank 0/100} MD step = 334000 step time: 00:00:00.020704 Performance: 313.085 ns/day 0.077 hours/ns 36.237 steps/s 2023-02-16 04:18:47,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334000 33400 40.319 -39392 4419 -43811 -43811 -0.39463 0.69996 0.22053 1.6343e+05 2023-02-16 04:18:49,824 INFO [main.py:643]
{rank 0/100} MD step = 334100 step time: 00:00:00.020449 Performance: 313.084 ns/day 0.077 hours/ns 36.237 steps/s 2023-02-16 04:18:50,498 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334100 33410 39.174 -39512 4293.5 -43805 -43805 -0.3944 0.70013 0.22047 1.6348e+05 2023-02-16 04:18:52,611 INFO [main.py:643]
{rank 0/100} MD step = 334200 step time: 00:00:00.020476 Performance: 313.083 ns/day 0.077 hours/ns 36.236 steps/s 2023-02-16 04:18:53,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334200 33420 40.44 -39387 4432.2 -43819 -43819 -0.39526 0.70025 0.21912 1.6353e+05 2023-02-16 04:18:55,418 INFO [main.py:643]
{rank 0/100} MD step = 334300 step time: 00:00:00.020482 Performance: 313.082 ns/day 0.077 hours/ns 36.236 steps/s 2023-02-16 04:18:57,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 33430 40.057 -39453 4390.3 -43843 -43843 -0.39507 0.70008 0.21964 1.6357e+05 2023-02-16 04:18:59,173 INFO [main.py:643]
{rank 0/100} MD step = 334400 step time: 00:00:00.020414 Performance: 313.048 ns/day 0.077 hours/ns 36.232 steps/s 2023-02-16 04:18:59,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334400 33440 39.919 -39480 4375.1 -43855 -43855 -0.39499 0.70039 0.22005 1.6362e+05 2023-02-16 04:19:01,855 INFO [main.py:643]
{rank 0/100} MD step = 334500 step time: 00:00:00.020583 Performance: 313.050 ns/day 0.077 hours/ns 36.233 steps/s 2023-02-16 04:19:03,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334500 33450 40.214 -39412 4407.5 -43819 -43819 -0.39632 0.70086 0.22015 1.6367e+05 2023-02-16 04:19:05,639 INFO [main.py:643]
{rank 0/100} MD step = 334600 step time: 00:00:00.020534 Performance: 313.016 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:06,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334600 33460 39.856 -39462 4368.2 -43830 -43830 -0.39652 0.70122 0.22087 1.6372e+05 2023-02-16 04:19:08,454 INFO [main.py:643]
{rank 0/100} MD step = 334700 step time: 00:00:00.020430 Performance: 313.014 ns/day 0.077 hours/ns 36.228 steps/s 2023-02-16 04:19:09,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334700 33470 39.917 -39431 4375 -43806 -43806 -0.39717 0.70174 0.22117 1.6377e+05 2023-02-16 04:19:11,118 INFO [main.py:643]
{rank 0/100} MD step = 334800 step time: 00:00:00.020549 Performance: 313.017 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:11,562 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334800 33480 40.541 -39359 4443.3 -43802 -43802 -0.39762 0.70213 0.22016 1.6382e+05 2023-02-16 04:19:13,845 INFO [main.py:643]
{rank 0/100} MD step = 334900 step time: 00:00:00.020457 Performance: 313.018 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:14,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334900 33490 39.41 -39615 4319.3 -43935 -43935 -0.39846 0.70293 0.22058 1.6387e+05 2023-02-16 04:19:16,608 INFO [main.py:643]
{rank 0/100} MD step = 335000 step time: 00:00:00.020545 Performance: 313.018 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:17,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335000 33500 40.154 -39385 4400.9 -43786 -43786 -0.39825 0.7039 0.22051 1.6392e+05 2023-02-16 04:19:19,395 INFO [main.py:643]
{rank 0/100} MD step = 335100 step time: 00:00:00.020396 Performance: 313.017 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:20,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335100 33510 39.72 -39485 4353.4 -43838 -43838 -0.39886 0.70482 0.21996 1.6398e+05 2023-02-16 04:19:22,139 INFO [main.py:643]
{rank 0/100} MD step = 335200 step time: 00:00:00.020522 Performance: 313.018 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:22,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335200 33520 39.621 -39475 4342.5 -43818 -43818 -0.39888 0.70499 0.21956 1.6403e+05 2023-02-16 04:19:24,969 INFO [main.py:643]
{rank 0/100} MD step = 335300 step time: 00:00:00.020649 Performance: 313.015 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:25,746 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335300 33530 40.236 -39385 4409.9 -43795 -43795 -0.39997 0.70452 0.21905 1.6409e+05 2023-02-16 04:19:27,776 INFO [main.py:643]
{rank 0/100} MD step = 335400 step time: 00:00:00.020526 Performance: 313.014 ns/day 0.077 hours/ns 36.228 steps/s 2023-02-16 04:19:28,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335400 33540 40.19 -39421 4404.8 -43825 -43825 -0.40052 0.70511 0.21929 1.6412e+05 2023-02-16 04:19:30,511 INFO [main.py:643]
{rank 0/100} MD step = 335500 step time: 00:00:00.020555 Performance: 313.015 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:31,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335500 33550 39.901 -39437 4373.2 -43810 -43810 -0.40072 0.70522 0.21942 1.6415e+05 2023-02-16 04:19:33,182 INFO [main.py:643]
{rank 0/100} MD step = 335600 step time: 00:00:00.020410 Performance: 313.018 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:33,811 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335600 33560 40.53 -39384 4442.2 -43826 -43826 -0.39953 0.70522 0.21844 1.642e+05 2023-02-16 04:19:35,843 INFO [main.py:643]
{rank 0/100} MD step = 335700 step time: 00:00:00.020524 Performance: 313.021 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:36,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335700 33570 40.072 -39481 4391.9 -43873 -43873 -0.40133 0.70513 0.21891 1.6425e+05 2023-02-16 04:19:38,628 INFO [main.py:643]
{rank 0/100} MD step = 335800 step time: 00:00:00.020571 Performance: 313.020 ns/day 0.077 hours/ns 36.229 steps/s 2023-02-16 04:19:39,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335800 33580 40.466 -39368 4435.1 -43804 -43804 -0.40118 0.70571 0.2182 1.6432e+05 2023-02-16 04:19:41,274 INFO [main.py:643]
{rank 0/100} MD step = 335900 step time: 00:00:00.020494 Performance: 313.024 ns/day 0.077 hours/ns 36.230 steps/s 2023-02-16 04:19:41,885 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335900 33590 40.152 -39487 4400.7 -43888 -43888 -0.40258 0.70567 0.21799 1.6436e+05 2023-02-16 04:19:43,940 INFO [main.py:643]
{rank 0/100} MD step = 336000 step time: 00:00:00.020426 Performance: 313.027 ns/day 0.077 hours/ns 36.230 steps/s 2023-02-16 04:19:44,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336000 33600 40.403 -39426 4428.2 -43854 -43854 -0.40276 0.70611 0.2175 1.6441e+05 2023-02-16 04:19:46,717 INFO [main.py:643]
{rank 0/100} MD step = 336100 step time: 00:00:00.020523 Performance: 313.027 ns/day 0.077 hours/ns 36.230 steps/s 2023-02-16 04:19:47,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336100 33610 39.79 -39422 4361 -43783 -43783 -0.40376 0.70629 0.21728 1.6446e+05 2023-02-16 04:19:49,579 INFO [main.py:643]
{rank 0/100} MD step = 336200 step time: 00:00:00.020542 Performance: 313.023 ns/day 0.077 hours/ns 36.230 steps/s 2023-02-16 04:19:49,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336200 33620 40.62 -39412 4452 -43864 -43864 -0.4052 0.70625 0.21738 1.645e+05 2023-02-16 04:19:52,253 INFO [main.py:643]
{rank 0/100} MD step = 336300 step time: 00:00:00.020526 Performance: 313.026 ns/day 0.077 hours/ns 36.230 steps/s 2023-02-16 04:19:52,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336300 33630 40.046 -39439 4389.1 -43828 -43828 -0.4052 0.70606 0.21771 1.6454e+05 2023-02-16 04:19:54,898 INFO [main.py:643]
{rank 0/100} MD step = 336400 step time: 00:00:00.020448 Performance: 313.030 ns/day 0.077 hours/ns 36.230 steps/s 2023-02-16 04:19:55,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336400 33640 39.838 -39565 4366.3 -43931 -43931 -0.40604 0.70659 0.21901 1.6459e+05 2023-02-16 04:19:57,578 INFO [main.py:643]
{rank 0/100} MD step = 336500 step time: 00:00:00.020510 Performance: 313.033 ns/day 0.077 hours/ns 36.231 steps/s 2023-02-16 04:19:58,266 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336500 33650 40.157 -39443 4401.2 -43844 -43844 -0.40598 0.70618 0.21883 1.6466e+05 2023-02-16 04:20:00,297 INFO [main.py:643]
{rank 0/100} MD step = 336600 step time: 00:00:00.020445 Performance: 313.034 ns/day 0.077 hours/ns 36.231 steps/s 2023-02-16 04:20:00,903 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336600 33660 40.096 -39433 4394.5 -43828 -43828 -0.40505 0.70534 0.21826 1.6468e+05 2023-02-16 04:20:02,947 INFO [main.py:643]
{rank 0/100} MD step = 336700 step time: 00:00:00.020448 Performance: 313.038 ns/day 0.077 hours/ns 36.231 steps/s 2023-02-16 04:20:03,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336700 33670 40.034 -39472 4387.7 -43860 -43860 -0.40345 0.7056 0.21784 1.6474e+05 2023-02-16 04:20:05,647 INFO [main.py:643]
{rank 0/100} MD step = 336800 step time: 00:00:00.020495 Performance: 313.040 ns/day 0.077 hours/ns 36.231 steps/s 2023-02-16 04:20:06,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336800 33680 39.476 -39421 4326.7 -43748 -43748 -0.40264 0.70651 0.21808 1.6479e+05 2023-02-16 04:20:08,421 INFO [main.py:643]
{rank 0/100} MD step = 336900 step time: 00:00:00.020536 Performance: 313.039 ns/day 0.077 hours/ns 36.231 steps/s 2023-02-16 04:20:09,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336900 33690 39.983 -39440 4382.2 -43822 -43822 -0.40341 0.70594 0.21813 1.6485e+05 2023-02-16 04:20:11,152 INFO [main.py:643]
{rank 0/100} MD step = 337000 step time: 00:00:00.020371 Performance: 313.040 ns/day 0.077 hours/ns 36.232 steps/s 2023-02-16 04:20:11,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337000 33700 39.833 -39512 4365.8 -43877 -43877 -0.40237 0.7061 0.21952 1.6489e+05 2023-02-16 04:20:13,882 INFO [main.py:643]
{rank 0/100} MD step = 337100 step time: 00:00:00.020432 Performance: 313.041 ns/day 0.077 hours/ns 36.232 steps/s 2023-02-16 04:20:14,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337100 33710 40.299 -39357 4416.9 -43774 -43774 -0.40364 0.70663 0.22025 1.6495e+05 2023-02-16 04:20:16,600 INFO [main.py:643]
{rank 0/100} MD step = 337200 step time: 00:00:00.020448 Performance: 313.043 ns/day 0.077 hours/ns 36.232 steps/s 2023-02-16 04:20:17,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337200 33720 40.313 -39403 4418.4 -43822 -43822 -0.4041 0.70706 0.21881 1.6499e+05 2023-02-16 04:20:19,420 INFO [main.py:643]
{rank 0/100} MD step = 337300 step time: 00:00:00.020540 Performance: 313.041 ns/day 0.077 hours/ns 36.232 steps/s 2023-02-16 04:20:20,080 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337300 33730 40.223 -39392 4408.5 -43800 -43800 -0.40275 0.70632 0.21889 1.6505e+05 2023-02-16 04:20:22,111 INFO [main.py:643]
{rank 0/100} MD step = 337400 step time: 00:00:00.020478 Performance: 313.043 ns/day 0.077 hours/ns 36.232 steps/s 2023-02-16 04:20:22,869 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337400 33740 39.526 -39504 4332.1 -43836 -43836 -0.40423 0.70597 0.21965 1.651e+05 2023-02-16 04:20:24,903 INFO [main.py:643]
{rank 0/100} MD step = 337500 step time: 00:00:00.020604 Performance: 313.042 ns/day 0.077 hours/ns 36.232 steps/s 2023-02-16 04:20:25,583 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337500 33750 40.071 -39487 4391.8 -43879 -43879 -0.40427 0.7065 0.21928 1.6515e+05 2023-02-16 04:20:27,638 INFO [main.py:643]
{rank 0/100} MD step = 337600 step time: 00:00:00.020543 Performance: 313.043 ns/day 0.077 hours/ns 36.232 steps/s 2023-02-16 04:20:28,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337600 33760 39.625 -39498 4343 -43841 -43841 -0.406 0.70568 0.21999 1.652e+05 2023-02-16 04:20:30,574 INFO [main.py:643]
{rank 0/100} MD step = 337700 step time: 00:00:00.020496 Performance: 313.037 ns/day 0.077 hours/ns 36.231 steps/s 2023-02-16 04:20:31,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337700 33770 40.054 -39299 4389.9 -43689 -43689 -0.40578 0.70654 0.2198 1.6525e+05 2023-02-16 04:20:33,278 INFO [main.py:643]
{rank 0/100} MD step = 337800 step time: 00:00:00.020354 Performance: 313.039 ns/day 0.077 hours/ns 36.231 steps/s 2023-02-16 04:20:34,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337800 33780 40.129 -39481 4398.2 -43879 -43879 -0.4056 0.70708 0.22007 1.6528e+05 2023-02-16 04:20:36,259 INFO [main.py:643]
{rank 0/100} MD step = 337900 step time: 00:00:00.020542 Performance: 313.031 ns/day 0.077 hours/ns 36.230 steps/s 2023-02-16 04:20:36,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337900 33790 39.431 -39537 4321.7 -43859 -43859 -0.40606 0.70706 0.22044 1.6534e+05 2023-02-16 04:20:39,009 INFO [main.py:643]
{rank 0/100} MD step = 338000 step time: 00:00:00.020653 Performance: 313.032 ns/day 0.077 hours/ns 36.231 steps/s 2023-02-16 04:20:39,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338000 33800 40.597 -39476 4449.4 -43925 -43925 -0.40532 0.70636 0.21936 1.6537e+05 2023-02-16 04:20:41,840 INFO [main.py:643]
{rank 0/100} MD step = 338100 step time: 00:00:00.020409 Performance: 313.029 ns/day 0.077 hours/ns 36.230 steps/s 2023-02-16 04:20:43,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338100 33810 39.551 -39537 4334.9 -43872 -43872 -0.40625 0.70701 0.21956 1.6542e+05 2023-02-16 04:20:45,803 INFO [main.py:643]
{rank 0/100} MD step = 338200 step time: 00:00:00.020554 Performance: 312.989 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:20:47,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338200 33820 39.188 -39526 4295.1 -43821 -43821 -0.40633 0.70762 0.21925 1.6547e+05 2023-02-16 04:20:49,290 INFO [main.py:643]
{rank 0/100} MD step = 338300 step time: 00:00:00.020527 Performance: 312.965 ns/day 0.077 hours/ns 36.223 steps/s 2023-02-16 04:20:49,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338300 33830 39.851 -39474 4367.7 -43842 -43842 -0.40596 0.70754 0.21954 1.655e+05 2023-02-16 04:20:52,105 INFO [main.py:643]
{rank 0/100} MD step = 338400 step time: 00:00:00.020387 Performance: 312.963 ns/day 0.077 hours/ns 36.223 steps/s 2023-02-16 04:20:52,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338400 33840 39.3 -39507 4307.4 -43815 -43815 -0.4049 0.70635 0.22041 1.6557e+05 2023-02-16 04:20:54,856 INFO [main.py:643]
{rank 0/100} MD step = 338500 step time: 00:00:00.020566 Performance: 312.963 ns/day 0.077 hours/ns 36.223 steps/s 2023-02-16 04:20:55,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338500 33850 39.437 -39476 4322.3 -43799 -43799 -0.40608 0.70692 0.22123 1.6562e+05 2023-02-16 04:20:57,711 INFO [main.py:643]
{rank 0/100} MD step = 338600 step time: 00:00:00.020533 Performance: 312.960 ns/day 0.077 hours/ns 36.222 steps/s 2023-02-16 04:20:58,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338600 33860 40.409 -39395 4428.9 -43824 -43824 -0.40564 0.70718 0.22105 1.6567e+05 2023-02-16 04:21:00,342 INFO [main.py:643]
{rank 0/100} MD step = 338700 step time: 00:00:00.020793 Performance: 312.964 ns/day 0.077 hours/ns 36.223 steps/s 2023-02-16 04:21:00,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338700 33870 40.103 -39503 4395.3 -43898 -43898 -0.40487 0.70737 0.22194 1.6571e+05 2023-02-16 04:21:03,015 INFO [main.py:643]
{rank 0/100} MD step = 338800 step time: 00:00:00.020672 Performance: 312.967 ns/day 0.077 hours/ns 36.223 steps/s 2023-02-16 04:21:03,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338800 33880 40.275 -39403 4414.2 -43817 -43817 -0.40653 0.70793 0.22226 1.6577e+05 2023-02-16 04:21:05,736 INFO [main.py:643]
{rank 0/100} MD step = 338900 step time: 00:00:00.020523 Performance: 312.969 ns/day 0.077 hours/ns 36.223 steps/s 2023-02-16 04:21:06,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338900 33890 40.219 -39419 4408 -43827 -43827 -0.40607 0.70655 0.22157 1.6581e+05 2023-02-16 04:21:08,387 INFO [main.py:643]
{rank 0/100} MD step = 339000 step time: 00:00:00.021770 Performance: 312.972 ns/day 0.077 hours/ns 36.224 steps/s 2023-02-16 04:21:09,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339000 33900 40.96 -39343 4489.3 -43832 -43832 -0.40658 0.70609 0.22196 1.6586e+05 2023-02-16 04:21:11,047 INFO [main.py:643]
{rank 0/100} MD step = 339100 step time: 00:00:00.020407 Performance: 312.976 ns/day 0.077 hours/ns 36.224 steps/s 2023-02-16 04:21:11,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339100 33910 39.476 -39541 4326.6 -43868 -43868 -0.40768 0.70654 0.22203 1.659e+05 2023-02-16 04:21:13,772 INFO [main.py:643]
{rank 0/100} MD step = 339200 step time: 00:00:00.020385 Performance: 312.977 ns/day 0.077 hours/ns 36.224 steps/s 2023-02-16 04:21:14,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339200 33920 40.045 -39509 4388.9 -43897 -43897 -0.40688 0.7066 0.2219 1.6596e+05 2023-02-16 04:21:16,443 INFO [main.py:643]
{rank 0/100} MD step = 339300 step time: 00:00:00.020519 Performance: 312.980 ns/day 0.077 hours/ns 36.225 steps/s 2023-02-16 04:21:17,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339300 33930 40.374 -39460 4425.1 -43885 -43885 -0.40733 0.7066 0.22281 1.66e+05 2023-02-16 04:21:19,205 INFO [main.py:643]
{rank 0/100} MD step = 339400 step time: 00:00:00.020514 Performance: 312.980 ns/day 0.077 hours/ns 36.225 steps/s 2023-02-16 04:21:19,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339400 33940 39.861 -39443 4368.8 -43812 -43812 -0.40609 0.70694 0.22286 1.6606e+05 2023-02-16 04:21:21,924 INFO [main.py:643]
{rank 0/100} MD step = 339500 step time: 00:00:00.020493 Performance: 312.981 ns/day 0.077 hours/ns 36.225 steps/s 2023-02-16 04:21:22,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339500 33950 40.262 -39448 4412.8 -43861 -43861 -0.40619 0.70691 0.22295 1.6609e+05 2023-02-16 04:21:24,582 INFO [main.py:643]
{rank 0/100} MD step = 339600 step time: 00:00:00.020440 Performance: 312.985 ns/day 0.077 hours/ns 36.225 steps/s 2023-02-16 04:21:25,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339600 33960 40 -39411 4384 -43795 -43795 -0.40661 0.70722 0.22314 1.6615e+05 2023-02-16 04:21:27,344 INFO [main.py:643]
{rank 0/100} MD step = 339700 step time: 00:00:00.020560 Performance: 312.985 ns/day 0.077 hours/ns 36.225 steps/s 2023-02-16 04:21:28,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339700 33970 40.142 -39431 4399.6 -43830 -43830 -0.40546 0.70811 0.22369 1.6619e+05 2023-02-16 04:21:30,124 INFO [main.py:643]
{rank 0/100} MD step = 339800 step time: 00:00:00.020606 Performance: 312.984 ns/day 0.077 hours/ns 36.225 steps/s 2023-02-16 04:21:30,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339800 33980 39.933 -39486 4376.8 -43863 -43863 -0.40583 0.70843 0.22418 1.6623e+05 2023-02-16 04:21:32,911 INFO [main.py:643]
{rank 0/100} MD step = 339900 step time: 00:00:00.020562 Performance: 312.983 ns/day 0.077 hours/ns 36.225 steps/s 2023-02-16 04:21:33,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339900 33990 40.261 -39396 4412.7 -43809 -43809 -0.40783 0.70915 0.2242 1.6627e+05 2023-02-16 04:21:35,563 INFO [main.py:643]
{rank 0/100} MD step = 340000 step time: 00:00:00.020516 Performance: 312.987 ns/day 0.077 hours/ns 36.225 steps/s 2023-02-16 04:21:35,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340000 34000 39.823 -39508 4364.6 -43873 -43873 -0.40962 0.70876 0.2249 1.6634e+05 2023-02-16 04:21:38,249 INFO [main.py:643]
{rank 0/100} MD step = 340100 step time: 00:00:00.021860 Performance: 312.989 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:21:38,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340100 34010 40.504 -39452 4439.2 -43891 -43891 -0.40983 0.70913 0.22468 1.6638e+05 2023-02-16 04:21:40,988 INFO [main.py:643]
{rank 0/100} MD step = 340200 step time: 00:00:00.020482 Performance: 312.990 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:21:41,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340200 34020 39.898 -39435 4372.9 -43808 -43808 -0.40953 0.71005 0.22509 1.6644e+05 2023-02-16 04:21:43,686 INFO [main.py:643]
{rank 0/100} MD step = 340300 step time: 00:00:00.020598 Performance: 312.992 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:21:44,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340300 34030 40.517 -39442 4440.7 -43883 -43883 -0.40911 0.71034 0.22441 1.6648e+05 2023-02-16 04:21:46,421 INFO [main.py:643]
{rank 0/100} MD step = 340400 step time: 00:00:00.020515 Performance: 312.993 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:21:46,998 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340400 34040 40.035 -39428 4387.9 -43816 -43816 -0.40969 0.71044 0.22417 1.6654e+05 2023-02-16 04:21:49,183 INFO [main.py:643]
{rank 0/100} MD step = 340500 step time: 00:00:00.020555 Performance: 312.993 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:21:49,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340500 34050 39.722 -39498 4353.5 -43852 -43852 -0.41118 0.71059 0.22472 1.6658e+05 2023-02-16 04:21:51,843 INFO [main.py:643]
{rank 0/100} MD step = 340600 step time: 00:00:00.020553 Performance: 312.996 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:21:52,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340600 34060 39.844 -39489 4367 -43856 -43856 -0.41073 0.71185 0.22531 1.6663e+05 2023-02-16 04:21:54,608 INFO [main.py:643]
{rank 0/100} MD step = 340700 step time: 00:00:00.020382 Performance: 312.996 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:21:55,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340700 34070 40.159 -39377 4401.4 -43779 -43779 -0.41126 0.71227 0.22579 1.6669e+05 2023-02-16 04:21:57,507 INFO [main.py:643]
{rank 0/100} MD step = 340800 step time: 00:00:00.020463 Performance: 312.991 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:21:58,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340800 34080 39.859 -39482 4368.6 -43851 -43851 -0.41307 0.71202 0.22537 1.6673e+05 2023-02-16 04:22:00,251 INFO [main.py:643]
{rank 0/100} MD step = 340900 step time: 00:00:00.020512 Performance: 312.992 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:22:00,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340900 34090 40.319 -39479 4419 -43898 -43898 -0.41494 0.71237 0.22533 1.6677e+05 2023-02-16 04:22:02,941 INFO [main.py:643]
{rank 0/100} MD step = 341000 step time: 00:00:00.020364 Performance: 312.994 ns/day 0.077 hours/ns 36.226 steps/s 2023-02-16 04:22:03,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341000 34100 39.192 -39519 4295.5 -43815 -43815 -0.41475 0.71296 0.22544 1.6684e+05 2023-02-16 04:22:05,617 INFO [main.py:643]
{rank 0/100} MD step = 341100 step time: 00:00:00.020431 Performance: 312.997 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:06,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341100 34110 40.258 -39410 4412.3 -43822 -43822 -0.41359 0.7142 0.22595 1.6688e+05 2023-02-16 04:22:08,260 INFO [main.py:643]
{rank 0/100} MD step = 341200 step time: 00:00:00.021820 Performance: 313.001 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:08,806 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341200 34120 39.805 -39382 4362.7 -43744 -43744 -0.41445 0.71505 0.22658 1.6692e+05 2023-02-16 04:22:10,983 INFO [main.py:643]
{rank 0/100} MD step = 341300 step time: 00:00:00.020590 Performance: 313.002 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:11,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341300 34130 40.995 -39355 4493.1 -43849 -43849 -0.41592 0.71603 0.22695 1.6696e+05 2023-02-16 04:22:13,706 INFO [main.py:643]
{rank 0/100} MD step = 341400 step time: 00:00:00.020369 Performance: 313.003 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:14,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341400 34140 40.934 -39323 4486.4 -43809 -43809 -0.41541 0.71635 0.22739 1.6702e+05 2023-02-16 04:22:16,431 INFO [main.py:643]
{rank 0/100} MD step = 341500 step time: 00:00:00.020461 Performance: 313.005 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:17,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341500 34150 40.224 -39440 4408.6 -43848 -43848 -0.41473 0.71703 0.2279 1.6706e+05 2023-02-16 04:22:19,176 INFO [main.py:643]
{rank 0/100} MD step = 341600 step time: 00:00:00.020448 Performance: 313.005 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:19,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341600 34160 39.369 -39575 4314.9 -43890 -43890 -0.41482 0.71682 0.22778 1.671e+05 2023-02-16 04:22:21,953 INFO [main.py:643]
{rank 0/100} MD step = 341700 step time: 00:00:00.020505 Performance: 313.005 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:22,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341700 34170 39.816 -39474 4363.9 -43838 -43838 -0.41424 0.71698 0.2272 1.6716e+05 2023-02-16 04:22:24,731 INFO [main.py:643]
{rank 0/100} MD step = 341800 step time: 00:00:00.020490 Performance: 313.004 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:25,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341800 34180 39.864 -39420 4369.2 -43789 -43789 -0.41456 0.71656 0.22633 1.6722e+05 2023-02-16 04:22:27,554 INFO [main.py:643]
{rank 0/100} MD step = 341900 step time: 00:00:00.020569 Performance: 313.002 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:27,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341900 34190 39.667 -39444 4347.6 -43792 -43792 -0.41416 0.71778 0.22621 1.6726e+05 2023-02-16 04:22:30,272 INFO [main.py:643]
{rank 0/100} MD step = 342000 step time: 00:00:00.020379 Performance: 313.003 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:30,866 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342000 34200 40.499 -39428 4438.7 -43867 -43867 -0.41431 0.71722 0.22652 1.6731e+05 2023-02-16 04:22:32,964 INFO [main.py:643]
{rank 0/100} MD step = 342100 step time: 00:00:00.020564 Performance: 313.006 ns/day 0.077 hours/ns 36.227 steps/s 2023-02-16 04:22:33,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342100 34210 40.127 -39408 4398 -43806 -43806 -0.41365 0.71722 0.22616 1.6737e+05 2023-02-16 04:22:35,646 INFO [main.py:643]
{rank 0/100} MD step = 342200 step time: 00:00:00.020397 Performance: 313.008 ns/day 0.077 hours/ns 36.228 steps/s 2023-02-16 04:22:36,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342200 34220 40.053 -39461 4389.9 -43850 -43850 -0.41412 0.71817 0.22626 1.6742e+05 2023-02-16 04:22:38,379 INFO [main.py:643]
{rank 0/100} MD step = 342300 step time: 00:00:00.021732 Performance: 313.009 ns/day 0.077 hours/ns 36.228 steps/s 2023-02-16 04:22:40,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342300 34230 40.578 -39387 4447.4 -43834 -43834 -0.41565 0.71814 0.22655 1.6747e+05 2023-02-16 04:22:42,843 INFO [main.py:643]
{rank 0/100} MD step = 342400 step time: 00:00:00.020381 Performance: 312.953 ns/day 0.077 hours/ns 36.221 steps/s 2023-02-16 04:22:43,445 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342400 34240 40.128 -39403 4398.1 -43801 -43801 -0.41499 0.71814 0.22735 1.6752e+05 2023-02-16 04:22:45,619 INFO [main.py:643]
{rank 0/100} MD step = 342500 step time: 00:00:00.020470 Performance: 312.952 ns/day 0.077 hours/ns 36.221 steps/s 2023-02-16 04:22:47,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342500 34250 40.557 -39425 4445.1 -43870 -43870 -0.41541 0.71852 0.22708 1.6756e+05 2023-02-16 04:22:49,673 INFO [main.py:643]
{rank 0/100} MD step = 342600 step time: 00:00:00.020608 Performance: 312.909 ns/day 0.077 hours/ns 36.216 steps/s 2023-02-16 04:22:50,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342600 34260 39.737 -39489 4355.3 -43844 -43844 -0.4143 0.71825 0.22693 1.676e+05 2023-02-16 04:22:52,886 INFO [main.py:643]
{rank 0/100} MD step = 342700 step time: 00:00:00.020615 Performance: 312.894 ns/day 0.077 hours/ns 36.215 steps/s 2023-02-16 04:22:54,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342700 34270 40.413 -39432 4429.4 -43862 -43862 -0.41374 0.71831 0.22618 1.6766e+05 2023-02-16 04:22:56,512 INFO [main.py:643]
{rank 0/100} MD step = 342800 step time: 00:00:00.020427 Performance: 312.866 ns/day 0.077 hours/ns 36.211 steps/s 2023-02-16 04:22:59,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342800 34280 39.382 -39510 4316.3 -43826 -43826 -0.4132 0.71771 0.22564 1.6771e+05 2023-02-16 04:23:01,974 INFO [main.py:643]
{rank 0/100} MD step = 342900 step time: 00:00:00.020537 Performance: 312.777 ns/day 0.077 hours/ns 36.201 steps/s 2023-02-16 04:23:02,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342900 34290 39.879 -39486 4370.8 -43857 -43857 -0.41332 0.71759 0.22527 1.6775e+05 2023-02-16 04:23:04,813 INFO [main.py:643]
{rank 0/100} MD step = 343000 step time: 00:00:00.020347 Performance: 312.774 ns/day 0.077 hours/ns 36.201 steps/s 2023-02-16 04:23:05,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343000 34300 40.568 -39354 4446.3 -43800 -43800 -0.41432 0.71808 0.225 1.678e+05 2023-02-16 04:23:07,659 INFO [main.py:643]
{rank 0/100} MD step = 343100 step time: 00:00:00.020391 Performance: 312.771 ns/day 0.077 hours/ns 36.200 steps/s 2023-02-16 04:23:08,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343100 34310 40.798 -39445 4471.5 -43917 -43917 -0.41471 0.71795 0.22649 1.6785e+05 2023-02-16 04:23:10,392 INFO [main.py:643]
{rank 0/100} MD step = 343200 step time: 00:00:00.020548 Performance: 312.772 ns/day 0.077 hours/ns 36.200 steps/s 2023-02-16 04:23:10,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343200 34320 39.533 -39560 4332.9 -43893 -43893 -0.41427 0.7176 0.22733 1.6789e+05 2023-02-16 04:23:13,272 INFO [main.py:643]
{rank 0/100} MD step = 343300 step time: 00:00:00.020393 Performance: 312.768 ns/day 0.077 hours/ns 36.200 steps/s 2023-02-16 04:23:16,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343300 34330 39.402 -39478 4318.5 -43796 -43796 -0.41333 0.71722 0.22626 1.6794e+05 2023-02-16 04:23:18,317 INFO [main.py:643]
{rank 0/100} MD step = 343400 step time: 00:00:00.021739 Performance: 312.693 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:19,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343400 34340 40.491 -39432 4437.9 -43870 -43870 -0.4131 0.71751 0.22683 1.6801e+05 2023-02-16 04:23:21,404 INFO [main.py:643]
{rank 0/100} MD step = 343500 step time: 00:00:00.020436 Performance: 312.682 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:23:21,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343500 34350 39.511 -39489 4330.5 -43820 -43820 -0.41363 0.71801 0.22687 1.6806e+05 2023-02-16 04:23:24,103 INFO [main.py:643]
{rank 0/100} MD step = 343600 step time: 00:00:00.020484 Performance: 312.685 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:23:24,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343600 34360 40.165 -39458 4402.1 -43860 -43860 -0.41467 0.71817 0.22634 1.6808e+05 2023-02-16 04:23:26,782 INFO [main.py:643]
{rank 0/100} MD step = 343700 step time: 00:00:00.020513 Performance: 312.687 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:27,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343700 34370 39.617 -39496 4342.1 -43839 -43839 -0.41507 0.71829 0.2263 1.6815e+05 2023-02-16 04:23:29,572 INFO [main.py:643]
{rank 0/100} MD step = 343800 step time: 00:00:00.020644 Performance: 312.686 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:30,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343800 34380 39.576 -39504 4337.5 -43841 -43841 -0.41399 0.71807 0.2265 1.6819e+05 2023-02-16 04:23:32,253 INFO [main.py:643]
{rank 0/100} MD step = 343900 step time: 00:00:00.020520 Performance: 312.689 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:32,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343900 34390 39.345 -39522 4312.3 -43834 -43834 -0.41415 0.71823 0.22695 1.6825e+05 2023-02-16 04:23:34,958 INFO [main.py:643]
{rank 0/100} MD step = 344000 step time: 00:00:00.020386 Performance: 312.691 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:35,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344000 34400 40.155 -39392 4401.1 -43794 -43794 -0.41473 0.71835 0.22731 1.683e+05 2023-02-16 04:23:37,743 INFO [main.py:643]
{rank 0/100} MD step = 344100 step time: 00:00:00.020540 Performance: 312.690 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:38,474 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344100 34410 39.648 -39383 4345.5 -43729 -43729 -0.41486 0.71828 0.22721 1.6834e+05 2023-02-16 04:23:40,514 INFO [main.py:643]
{rank 0/100} MD step = 344200 step time: 00:00:00.020414 Performance: 312.690 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:41,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344200 34420 39.736 -39519 4355.1 -43875 -43875 -0.41602 0.71878 0.22758 1.6838e+05 2023-02-16 04:23:43,269 INFO [main.py:643]
{rank 0/100} MD step = 344300 step time: 00:00:00.020684 Performance: 312.690 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:43,677 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344300 34430 39.526 -39518 4332.1 -43850 -43850 -0.41717 0.71878 0.22818 1.6844e+05 2023-02-16 04:23:45,972 INFO [main.py:643]
{rank 0/100} MD step = 344400 step time: 00:00:00.020475 Performance: 312.692 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:46,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344400 34440 39.709 -39456 4352.2 -43808 -43808 -0.41665 0.71858 0.22822 1.6849e+05 2023-02-16 04:23:48,688 INFO [main.py:643]
{rank 0/100} MD step = 344500 step time: 00:00:00.020459 Performance: 312.694 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:23:49,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344500 34450 40.128 -39475 4398.1 -43873 -43873 -0.41659 0.71833 0.22801 1.6854e+05 2023-02-16 04:23:51,374 INFO [main.py:643]
{rank 0/100} MD step = 344600 step time: 00:00:00.020508 Performance: 312.696 ns/day 0.077 hours/ns 36.192 steps/s 2023-02-16 04:23:51,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344600 34460 39.679 -39465 4348.8 -43814 -43814 -0.41596 0.71927 0.22805 1.6859e+05 2023-02-16 04:23:54,013 INFO [main.py:643]
{rank 0/100} MD step = 344700 step time: 00:00:00.020581 Performance: 312.701 ns/day 0.077 hours/ns 36.192 steps/s 2023-02-16 04:23:54,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344700 34470 40.347 -39363 4422 -43785 -43785 -0.41614 0.71955 0.22898 1.6864e+05 2023-02-16 04:23:56,754 INFO [main.py:643]
{rank 0/100} MD step = 344800 step time: 00:00:00.020638 Performance: 312.701 ns/day 0.077 hours/ns 36.192 steps/s 2023-02-16 04:23:57,378 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344800 34480 39.845 -39519 4367 -43886 -43886 -0.41669 0.71949 0.22907 1.6867e+05 2023-02-16 04:23:59,440 INFO [main.py:643]
{rank 0/100} MD step = 344900 step time: 00:00:00.020870 Performance: 312.704 ns/day 0.077 hours/ns 36.193 steps/s 2023-02-16 04:24:00,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344900 34490 39.964 -39453 4380.1 -43833 -43833 -0.41646 0.71936 0.2295 1.6872e+05 2023-02-16 04:24:02,234 INFO [main.py:643]
{rank 0/100} MD step = 345000 step time: 00:00:00.020423 Performance: 312.703 ns/day 0.077 hours/ns 36.192 steps/s 2023-02-16 04:24:02,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345000 34500 39.752 -39463 4356.8 -43820 -43820 -0.41676 0.72038 0.22946 1.6879e+05 2023-02-16 04:24:04,970 INFO [main.py:643]
{rank 0/100} MD step = 345100 step time: 00:00:00.020464 Performance: 312.704 ns/day 0.077 hours/ns 36.193 steps/s 2023-02-16 04:24:05,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345100 34510 40.61 -39376 4450.9 -43826 -43826 -0.41651 0.72008 0.22977 1.6882e+05 2023-02-16 04:24:07,785 INFO [main.py:643]
{rank 0/100} MD step = 345200 step time: 00:00:00.020457 Performance: 312.702 ns/day 0.077 hours/ns 36.192 steps/s 2023-02-16 04:24:10,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345200 34520 39.518 -39504 4331.2 -43836 -43836 -0.41779 0.72038 0.22977 1.6888e+05 2023-02-16 04:24:12,262 INFO [main.py:643]
{rank 0/100} MD step = 345300 step time: 00:00:00.020493 Performance: 312.646 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:24:12,770 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345300 34530 39.593 -39525 4339.4 -43865 -43865 -0.41845 0.72004 0.23001 1.6893e+05 2023-02-16 04:24:14,989 INFO [main.py:643]
{rank 0/100} MD step = 345400 step time: 00:00:00.020363 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:24:16,249 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345400 34540 39.83 -39459 4365.4 -43824 -43824 -0.41835 0.72035 0.2299 1.6898e+05 2023-02-16 04:24:18,587 INFO [main.py:643]
{rank 0/100} MD step = 345500 step time: 00:00:00.020527 Performance: 312.620 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:24:19,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345500 34550 39.735 -39490 4355.1 -43845 -43845 -0.41808 0.72148 0.22989 1.6903e+05 2023-02-16 04:24:21,298 INFO [main.py:643]
{rank 0/100} MD step = 345600 step time: 00:00:00.020567 Performance: 312.621 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:24:21,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345600 34560 40.229 -39481 4409.1 -43890 -43890 -0.41919 0.72065 0.22913 1.6909e+05 2023-02-16 04:24:23,958 INFO [main.py:643]
{rank 0/100} MD step = 345700 step time: 00:00:00.020486 Performance: 312.625 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:24:24,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345700 34570 40.107 -39438 4395.7 -43834 -43834 -0.42082 0.71977 0.2298 1.6913e+05 2023-02-16 04:24:26,724 INFO [main.py:643]
{rank 0/100} MD step = 345800 step time: 00:00:00.020376 Performance: 312.625 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:24:27,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345800 34580 40.141 -39448 4399.5 -43847 -43847 -0.42091 0.72041 0.22927 1.6918e+05 2023-02-16 04:24:29,435 INFO [main.py:643]
{rank 0/100} MD step = 345900 step time: 00:00:00.020447 Performance: 312.626 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:24:30,091 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345900 34590 39.781 -39513 4360 -43873 -43873 -0.4226 0.72087 0.22937 1.6922e+05 2023-02-16 04:24:32,126 INFO [main.py:643]
{rank 0/100} MD step = 346000 step time: 00:00:00.020318 Performance: 312.629 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:24:32,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346000 34600 39.711 -39522 4352.4 -43875 -43875 -0.42202 0.7213 0.22855 1.6927e+05 2023-02-16 04:24:34,858 INFO [main.py:643]
{rank 0/100} MD step = 346100 step time: 00:00:00.020570 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:24:35,598 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346100 34610 39.281 -39549 4305.3 -43854 -43854 -0.4212 0.72082 0.22889 1.6933e+05 2023-02-16 04:24:37,647 INFO [main.py:643]
{rank 0/100} MD step = 346200 step time: 00:00:00.020486 Performance: 312.629 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:24:38,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346200 34620 40.102 -39535 4395.2 -43930 -43930 -0.42061 0.7221 0.22906 1.6937e+05 2023-02-16 04:24:40,388 INFO [main.py:643]
{rank 0/100} MD step = 346300 step time: 00:00:00.020567 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:24:41,039 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346300 34630 40.087 -39395 4393.6 -43789 -43789 -0.41985 0.72222 0.23014 1.6942e+05 2023-02-16 04:24:43,071 INFO [main.py:643]
{rank 0/100} MD step = 346400 step time: 00:00:00.020398 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:24:43,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346400 34640 40.279 -39367 4414.6 -43782 -43782 -0.41909 0.72217 0.23018 1.6948e+05 2023-02-16 04:24:45,838 INFO [main.py:643]
{rank 0/100} MD step = 346500 step time: 00:00:00.020368 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:24:46,505 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346500 34650 39.748 -39440 4356.5 -43797 -43797 -0.41918 0.72196 0.22996 1.6953e+05 2023-02-16 04:24:48,613 INFO [main.py:643]
{rank 0/100} MD step = 346600 step time: 00:00:00.020358 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:24:49,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346600 34660 39.761 -39447 4357.8 -43805 -43805 -0.41941 0.72284 0.23132 1.6958e+05 2023-02-16 04:24:51,277 INFO [main.py:643]
{rank 0/100} MD step = 346700 step time: 00:00:00.020382 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:24:51,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346700 34670 40.02 -39465 4386.3 -43852 -43852 -0.41868 0.72375 0.23119 1.6963e+05 2023-02-16 04:24:53,924 INFO [main.py:643]
{rank 0/100} MD step = 346800 step time: 00:00:00.020522 Performance: 312.639 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:24:54,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346800 34680 39.96 -39459 4379.7 -43839 -43839 -0.41909 0.72401 0.23135 1.6968e+05 2023-02-16 04:24:56,567 INFO [main.py:643]
{rank 0/100} MD step = 346900 step time: 00:00:00.020484 Performance: 312.643 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:24:57,061 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346900 34690 39.274 -39566 4304.5 -43871 -43871 -0.41936 0.72248 0.23177 1.6972e+05 2023-02-16 04:24:59,205 INFO [main.py:643]
{rank 0/100} MD step = 347000 step time: 00:00:00.020445 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:24:59,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347000 34700 39.764 -39458 4358.2 -43817 -43817 -0.41965 0.72211 0.23223 1.6977e+05 2023-02-16 04:25:01,923 INFO [main.py:643]
{rank 0/100} MD step = 347100 step time: 00:00:00.020498 Performance: 312.648 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:25:02,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347100 34710 40.292 -39437 4416 -43853 -43853 -0.41997 0.72196 0.23171 1.6982e+05 2023-02-16 04:25:04,646 INFO [main.py:643]
{rank 0/100} MD step = 347200 step time: 00:00:00.020792 Performance: 312.650 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:25:05,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347200 34720 39.271 -39537 4304.1 -43842 -43842 -0.41869 0.72187 0.23054 1.6988e+05 2023-02-16 04:25:07,606 INFO [main.py:643]
{rank 0/100} MD step = 347300 step time: 00:00:00.020735 Performance: 312.643 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:25:08,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347300 34730 39.802 -39494 4362.4 -43857 -43857 -0.41957 0.72237 0.23047 1.6992e+05 2023-02-16 04:25:10,632 INFO [main.py:643]
{rank 0/100} MD step = 347400 step time: 00:00:00.020568 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:11,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347400 34740 39.583 -39454 4338.3 -43792 -43792 -0.41815 0.72281 0.23041 1.6996e+05 2023-02-16 04:25:13,364 INFO [main.py:643]
{rank 0/100} MD step = 347500 step time: 00:00:00.020660 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:13,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347500 34750 40.504 -39432 4439.3 -43871 -43871 -0.41691 0.72388 0.23003 1.7002e+05 2023-02-16 04:25:16,067 INFO [main.py:643]
{rank 0/100} MD step = 347600 step time: 00:00:00.020540 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:16,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347600 34760 40.112 -39374 4396.3 -43770 -43770 -0.41648 0.72343 0.22957 1.701e+05 2023-02-16 04:25:18,851 INFO [main.py:643]
{rank 0/100} MD step = 347700 step time: 00:00:00.020487 Performance: 312.637 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:19,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 34770 40.064 -39462 4391.1 -43853 -43853 -0.41696 0.72255 0.23007 1.7012e+05 2023-02-16 04:25:21,548 INFO [main.py:643]
{rank 0/100} MD step = 347800 step time: 00:00:00.020473 Performance: 312.639 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:22,158 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347800 34780 40.128 -39461 4398.1 -43859 -43859 -0.41598 0.72301 0.22986 1.7017e+05 2023-02-16 04:25:24,189 INFO [main.py:643]
{rank 0/100} MD step = 347900 step time: 00:00:00.020495 Performance: 312.643 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:25:24,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347900 34790 39.711 -39503 4352.4 -43855 -43855 -0.41707 0.72257 0.23074 1.7022e+05 2023-02-16 04:25:27,041 INFO [main.py:643]
{rank 0/100} MD step = 348000 step time: 00:00:00.020219 Performance: 312.640 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:27,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348000 34800 39.471 -39423 4326 -43749 -43749 -0.41728 0.72261 0.23157 1.7028e+05 2023-02-16 04:25:29,901 INFO [main.py:643]
{rank 0/100} MD step = 348100 step time: 00:00:00.020536 Performance: 312.637 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:30,341 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348100 34810 40.179 -39387 4403.7 -43791 -43791 -0.41854 0.72308 0.23249 1.7033e+05 2023-02-16 04:25:32,637 INFO [main.py:643]
{rank 0/100} MD step = 348200 step time: 00:00:00.020506 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:33,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348200 34820 39.169 -39505 4293 -43798 -43798 -0.41912 0.72297 0.23291 1.7037e+05 2023-02-16 04:25:35,497 INFO [main.py:643]
{rank 0/100} MD step = 348300 step time: 00:00:00.020465 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:36,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348300 34830 40.359 -39389 4423.4 -43813 -43813 -0.42018 0.7232 0.23321 1.7044e+05 2023-02-16 04:25:38,207 INFO [main.py:643]
{rank 0/100} MD step = 348400 step time: 00:00:00.021819 Performance: 312.637 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:38,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348400 34840 40.303 -39413 4417.3 -43831 -43831 -0.42155 0.72351 0.23363 1.7047e+05 2023-02-16 04:25:40,927 INFO [main.py:643]
{rank 0/100} MD step = 348500 step time: 00:00:00.020525 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:41,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348500 34850 40.291 -39414 4415.9 -43830 -43830 -0.4228 0.72356 0.23407 1.7053e+05 2023-02-16 04:25:43,750 INFO [main.py:643]
{rank 0/100} MD step = 348600 step time: 00:00:00.020539 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:44,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348600 34860 39.93 -39495 4376.3 -43871 -43871 -0.4224 0.72316 0.2342 1.7058e+05 2023-02-16 04:25:46,445 INFO [main.py:643]
{rank 0/100} MD step = 348700 step time: 00:00:00.020554 Performance: 312.639 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:47,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348700 34870 40.481 -39445 4436.8 -43882 -43882 -0.42284 0.72337 0.23371 1.7062e+05 2023-02-16 04:25:49,119 INFO [main.py:643]
{rank 0/100} MD step = 348800 step time: 00:00:00.020354 Performance: 312.641 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:49,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348800 34880 40.338 -39513 4421 -43935 -43935 -0.423 0.72398 0.23453 1.7067e+05 2023-02-16 04:25:51,851 INFO [main.py:643]
{rank 0/100} MD step = 348900 step time: 00:00:00.020398 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:25:52,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348900 34890 40.151 -39497 4400.6 -43897 -43897 -0.42195 0.72416 0.2348 1.7072e+05 2023-02-16 04:25:54,549 INFO [main.py:643]
{rank 0/100} MD step = 349000 step time: 00:00:00.020466 Performance: 312.645 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:25:55,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349000 34900 40.544 -39354 4443.7 -43798 -43798 -0.42362 0.72299 0.23578 1.7077e+05 2023-02-16 04:25:57,323 INFO [main.py:643]
{rank 0/100} MD step = 349100 step time: 00:00:00.020534 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:25:57,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349100 34910 39.866 -39449 4369.3 -43818 -43818 -0.42235 0.72354 0.23588 1.7082e+05 2023-02-16 04:26:00,008 INFO [main.py:643]
{rank 0/100} MD step = 349200 step time: 00:00:00.020391 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:26:00,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349200 34920 40.467 -39448 4435.2 -43883 -43883 -0.42259 0.7244 0.23538 1.7086e+05 2023-02-16 04:26:02,808 INFO [main.py:643]
{rank 0/100} MD step = 349300 step time: 00:00:00.020407 Performance: 312.646 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:26:03,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349300 34930 39.637 -39537 4344.3 -43881 -43881 -0.422 0.7246 0.23567 1.7091e+05 2023-02-16 04:26:05,538 INFO [main.py:643]
{rank 0/100} MD step = 349400 step time: 00:00:00.020536 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:26:06,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349400 34940 40.437 -39358 4431.9 -43790 -43790 -0.42189 0.72499 0.23815 1.7097e+05 2023-02-16 04:26:08,644 INFO [main.py:643]
{rank 0/100} MD step = 349500 step time: 00:00:00.020397 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:26:09,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349500 34950 40.184 -39438 4404.2 -43843 -43843 -0.4204 0.72522 0.23868 1.7102e+05 2023-02-16 04:26:11,146 INFO [main.py:643]
{rank 0/100} MD step = 349600 step time: 00:00:00.020566 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:26:13,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349600 34960 40.232 -39462 4409.4 -43871 -43871 -0.41948 0.72537 0.23775 1.7106e+05 2023-02-16 04:26:15,163 INFO [main.py:643]
{rank 0/100} MD step = 349700 step time: 00:00:00.020614 Performance: 312.604 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:26:15,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349700 34970 40.029 -39413 4387.2 -43800 -43800 -0.41927 0.7257 0.23847 1.7111e+05 2023-02-16 04:26:18,041 INFO [main.py:643]
{rank 0/100} MD step = 349800 step time: 00:00:00.020473 Performance: 312.600 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:26:18,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349800 34980 39.794 -39494 4361.4 -43856 -43856 -0.41959 0.72626 0.23911 1.7116e+05 2023-02-16 04:26:20,841 INFO [main.py:643]
{rank 0/100} MD step = 349900 step time: 00:00:00.020499 Performance: 312.599 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:26:21,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349900 34990 40.099 -39475 4394.9 -43870 -43870 -0.42003 0.72567 0.23878 1.7121e+05 2023-02-16 04:26:23,687 INFO [main.py:643]
{rank 0/100} MD step = 350000 step time: 00:00:00.020444 Performance: 312.596 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:26:24,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350000 35000 39.914 -39496 4374.6 -43871 -43871 -0.41855 0.72436 0.23857 1.7126e+05 2023-02-16 04:26:26,439 INFO [main.py:643]
{rank 0/100} MD step = 350100 step time: 00:00:00.020356 Performance: 312.596 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:26:27,082 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350100 35010 39.74 -39433 4355.5 -43788 -43788 -0.41809 0.72469 0.23775 1.713e+05 2023-02-16 04:26:29,189 INFO [main.py:643]
{rank 0/100} MD step = 350200 step time: 00:00:00.020312 Performance: 312.597 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:26:29,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350200 35020 39.439 -39508 4322.6 -43830 -43830 -0.41854 0.72494 0.23807 1.7136e+05 2023-02-16 04:26:31,873 INFO [main.py:643]
{rank 0/100} MD step = 350300 step time: 00:00:00.020745 Performance: 312.599 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:26:32,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350300 35030 39.914 -39418 4374.6 -43793 -43793 -0.41931 0.72522 0.23738 1.7139e+05 2023-02-16 04:26:34,795 INFO [main.py:643]
{rank 0/100} MD step = 350400 step time: 00:00:00.020780 Performance: 312.594 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:26:35,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350400 35040 39.392 -39516 4317.4 -43833 -43833 -0.41935 0.72588 0.23773 1.7144e+05 2023-02-16 04:26:37,720 INFO [main.py:643]
{rank 0/100} MD step = 350500 step time: 00:00:00.020430 Performance: 312.589 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:26:38,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350500 35050 40.364 -39429 4423.9 -43853 -43853 -0.41943 0.72656 0.23858 1.7148e+05 2023-02-16 04:26:40,527 INFO [main.py:643]
{rank 0/100} MD step = 350600 step time: 00:00:00.020705 Performance: 312.588 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:26:42,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350600 35060 39.873 -39474 4370.2 -43844 -43844 -0.42027 0.72632 0.24031 1.7154e+05 2023-02-16 04:26:44,529 INFO [main.py:643]
{rank 0/100} MD step = 350700 step time: 00:00:00.020421 Performance: 312.548 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:26:45,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350700 35070 39.739 -39533 4355.4 -43888 -43888 -0.42104 0.72617 0.24031 1.7157e+05 2023-02-16 04:26:47,296 INFO [main.py:643]
{rank 0/100} MD step = 350800 step time: 00:00:00.020335 Performance: 312.548 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:26:47,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350800 35080 40.366 -39382 4424.1 -43806 -43806 -0.42137 0.72636 0.24088 1.7163e+05 2023-02-16 04:26:50,076 INFO [main.py:643]
{rank 0/100} MD step = 350900 step time: 00:00:00.020370 Performance: 312.547 ns/day 0.077 hours/ns 36.174 steps/s 2023-02-16 04:26:50,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350900 35090 39.527 -39501 4332.2 -43833 -43833 -0.42197 0.72707 0.24074 1.7168e+05 2023-02-16 04:26:52,781 INFO [main.py:643]
{rank 0/100} MD step = 351000 step time: 00:00:00.020467 Performance: 312.549 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:26:53,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351000 35100 39.711 -39546 4352.3 -43899 -43899 -0.42347 0.7273 0.24075 1.7172e+05 2023-02-16 04:26:55,485 INFO [main.py:643]
{rank 0/100} MD step = 351100 step time: 00:00:00.020453 Performance: 312.551 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:26:56,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351100 35110 40.393 -39523 4427.1 -43950 -43950 -0.4221 0.72823 0.24096 1.7178e+05 2023-02-16 04:26:58,390 INFO [main.py:643]
{rank 0/100} MD step = 351200 step time: 00:00:00.021886 Performance: 312.547 ns/day 0.077 hours/ns 36.174 steps/s 2023-02-16 04:26:59,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351200 35120 40.193 -39437 4405.2 -43842 -43842 -0.42279 0.72766 0.24107 1.7184e+05 2023-02-16 04:27:01,178 INFO [main.py:643]
{rank 0/100} MD step = 351300 step time: 00:00:00.020427 Performance: 312.546 ns/day 0.077 hours/ns 36.174 steps/s 2023-02-16 04:27:01,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351300 35130 39.814 -39503 4363.7 -43867 -43867 -0.42399 0.72834 0.24076 1.7188e+05 2023-02-16 04:27:03,887 INFO [main.py:643]
{rank 0/100} MD step = 351400 step time: 00:00:00.020356 Performance: 312.548 ns/day 0.077 hours/ns 36.174 steps/s 2023-02-16 04:27:04,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351400 35140 39.877 -39507 4370.5 -43878 -43878 -0.42522 0.72774 0.24087 1.7191e+05 2023-02-16 04:27:06,587 INFO [main.py:643]
{rank 0/100} MD step = 351500 step time: 00:00:00.020818 Performance: 312.550 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:27:07,149 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351500 35150 40.135 -39352 4398.8 -43751 -43751 -0.42636 0.72753 0.24127 1.7197e+05 2023-02-16 04:27:09,337 INFO [main.py:643]
{rank 0/100} MD step = 351600 step time: 00:00:00.020400 Performance: 312.550 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:27:09,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351600 35160 40.142 -39522 4399.7 -43921 -43921 -0.426 0.72774 0.24098 1.7201e+05 2023-02-16 04:27:12,085 INFO [main.py:643]
{rank 0/100} MD step = 351700 step time: 00:00:00.020398 Performance: 312.551 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:27:12,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351700 35170 40.565 -39393 4446 -43839 -43839 -0.42733 0.72786 0.24061 1.7205e+05 2023-02-16 04:27:14,855 INFO [main.py:643]
{rank 0/100} MD step = 351800 step time: 00:00:00.020340 Performance: 312.550 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:27:15,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351800 35180 39.74 -39490 4355.6 -43846 -43846 -0.42745 0.728 0.24048 1.7212e+05 2023-02-16 04:27:17,601 INFO [main.py:643]
{rank 0/100} MD step = 351900 step time: 00:00:00.020529 Performance: 312.551 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:27:17,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351900 35190 39.542 -39589 4333.8 -43923 -43923 -0.42806 0.72785 0.24058 1.7216e+05 2023-02-16 04:27:20,355 INFO [main.py:643]
{rank 0/100} MD step = 352000 step time: 00:00:00.020439 Performance: 312.551 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:27:20,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352000 35200 40.173 -39400 4403 -43803 -43803 -0.42939 0.72868 0.24114 1.722e+05 2023-02-16 04:27:23,015 INFO [main.py:643]
{rank 0/100} MD step = 352100 step time: 00:00:00.020599 Performance: 312.555 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:27:23,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352100 35210 39.811 -39378 4363.3 -43741 -43741 -0.42932 0.72982 0.24022 1.7224e+05 2023-02-16 04:27:25,728 INFO [main.py:643]
{rank 0/100} MD step = 352200 step time: 00:00:00.020474 Performance: 312.556 ns/day 0.077 hours/ns 36.176 steps/s 2023-02-16 04:27:26,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352200 35220 39.881 -39412 4371 -43783 -43783 -0.43069 0.72955 0.23997 1.7228e+05 2023-02-16 04:27:28,465 INFO [main.py:643]
{rank 0/100} MD step = 352300 step time: 00:00:00.020460 Performance: 312.557 ns/day 0.077 hours/ns 36.176 steps/s 2023-02-16 04:27:29,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352300 35230 39.954 -39469 4379 -43848 -43848 -0.42921 0.72976 0.2407 1.7232e+05 2023-02-16 04:27:31,287 INFO [main.py:643]
{rank 0/100} MD step = 352400 step time: 00:00:00.020320 Performance: 312.555 ns/day 0.077 hours/ns 36.175 steps/s 2023-02-16 04:27:31,865 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352400 35240 40.01 -39542 4385.1 -43927 -43927 -0.42882 0.73036 0.24097 1.7237e+05 2023-02-16 04:27:33,996 INFO [main.py:643]
{rank 0/100} MD step = 352500 step time: 00:00:00.020551 Performance: 312.557 ns/day 0.077 hours/ns 36.176 steps/s 2023-02-16 04:27:34,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352500 35250 39.68 -39484 4348.9 -43833 -43833 -0.42958 0.73091 0.2408 1.7241e+05 2023-02-16 04:27:36,701 INFO [main.py:643]
{rank 0/100} MD step = 352600 step time: 00:00:00.020555 Performance: 312.559 ns/day 0.077 hours/ns 36.176 steps/s 2023-02-16 04:27:37,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352600 35260 39.791 -39476 4361.2 -43837 -43837 -0.42955 0.73042 0.24101 1.7247e+05 2023-02-16 04:27:39,429 INFO [main.py:643]
{rank 0/100} MD step = 352700 step time: 00:00:00.020380 Performance: 312.560 ns/day 0.077 hours/ns 36.176 steps/s 2023-02-16 04:27:39,944 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352700 35270 40.419 -39425 4429.9 -43855 -43855 -0.42934 0.73076 0.24146 1.7253e+05 2023-02-16 04:27:42,165 INFO [main.py:643]
{rank 0/100} MD step = 352800 step time: 00:00:00.020505 Performance: 312.561 ns/day 0.077 hours/ns 36.176 steps/s 2023-02-16 04:27:42,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352800 35280 40.344 -39472 4421.7 -43894 -43894 -0.42862 0.73173 0.24214 1.7258e+05 2023-02-16 04:27:44,834 INFO [main.py:643]
{rank 0/100} MD step = 352900 step time: 00:00:00.020561 Performance: 312.564 ns/day 0.077 hours/ns 36.176 steps/s 2023-02-16 04:27:45,275 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352900 35290 40.841 -39352 4476.2 -43828 -43828 -0.42769 0.73149 0.24245 1.7263e+05 2023-02-16 04:27:47,587 INFO [main.py:643]
{rank 0/100} MD step = 353000 step time: 00:00:00.020587 Performance: 312.565 ns/day 0.077 hours/ns 36.176 steps/s 2023-02-16 04:27:48,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353000 35300 40.476 -39388 4436.3 -43824 -43824 -0.4278 0.73092 0.24211 1.7267e+05 2023-02-16 04:27:50,265 INFO [main.py:643]
{rank 0/100} MD step = 353100 step time: 00:00:00.020704 Performance: 312.567 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:27:50,882 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353100 35310 40.001 -39410 4384.1 -43794 -43794 -0.4258 0.73124 0.24222 1.7273e+05 2023-02-16 04:27:52,977 INFO [main.py:643]
{rank 0/100} MD step = 353200 step time: 00:00:00.020426 Performance: 312.569 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:27:53,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353200 35320 40.063 -39467 4391 -43858 -43858 -0.42684 0.73109 0.24279 1.7277e+05 2023-02-16 04:27:55,677 INFO [main.py:643]
{rank 0/100} MD step = 353300 step time: 00:00:00.020345 Performance: 312.571 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:27:56,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353300 35330 40.097 -39553 4394.7 -43947 -43947 -0.42616 0.7312 0.24358 1.7281e+05 2023-02-16 04:27:58,398 INFO [main.py:643]
{rank 0/100} MD step = 353400 step time: 00:00:00.021315 Performance: 312.572 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:27:59,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353400 35340 40.146 -39375 4400 -43775 -43775 -0.4249 0.73166 0.24318 1.7286e+05 2023-02-16 04:28:01,204 INFO [main.py:643]
{rank 0/100} MD step = 353500 step time: 00:00:00.020566 Performance: 312.571 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:28:01,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353500 35350 40.582 -39314 4447.9 -43761 -43761 -0.4241 0.73217 0.24272 1.7292e+05 2023-02-16 04:28:03,905 INFO [main.py:643]
{rank 0/100} MD step = 353600 step time: 00:00:00.020395 Performance: 312.573 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:28:04,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353600 35360 39.972 -39509 4381 -43890 -43890 -0.42409 0.73242 0.24271 1.7294e+05 2023-02-16 04:28:06,771 INFO [main.py:643]
{rank 0/100} MD step = 353700 step time: 00:00:00.020461 Performance: 312.570 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:28:07,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353700 35370 40.469 -39412 4435.5 -43848 -43848 -0.42341 0.7321 0.24264 1.7303e+05 2023-02-16 04:28:09,485 INFO [main.py:643]
{rank 0/100} MD step = 353800 step time: 00:00:00.020624 Performance: 312.571 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:28:10,193 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353800 35380 39.564 -39437 4336.3 -43773 -43773 -0.42399 0.73241 0.24322 1.7308e+05 2023-02-16 04:28:12,228 INFO [main.py:643]
{rank 0/100} MD step = 353900 step time: 00:00:00.020380 Performance: 312.572 ns/day 0.077 hours/ns 36.177 steps/s 2023-02-16 04:28:12,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353900 35390 40.291 -39372 4415.9 -43787 -43787 -0.423 0.73259 0.24169 1.7313e+05 2023-02-16 04:28:14,940 INFO [main.py:643]
{rank 0/100} MD step = 354000 step time: 00:00:00.020799 Performance: 312.574 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:28:15,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354000 35400 39.778 -39520 4359.7 -43880 -43880 -0.42435 0.73313 0.24241 1.7319e+05 2023-02-16 04:28:17,617 INFO [main.py:643]
{rank 0/100} MD step = 354100 step time: 00:00:00.020509 Performance: 312.577 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:28:18,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354100 35410 40.005 -39460 4384.6 -43844 -43844 -0.42587 0.73395 0.24203 1.7323e+05 2023-02-16 04:28:20,270 INFO [main.py:643]
{rank 0/100} MD step = 354200 step time: 00:00:00.020526 Performance: 312.580 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:28:20,959 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354200 35420 39.576 -39458 4337.6 -43796 -43796 -0.42555 0.73313 0.24146 1.7329e+05 2023-02-16 04:28:22,983 INFO [main.py:643]
{rank 0/100} MD step = 354300 step time: 00:00:00.020425 Performance: 312.582 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:28:23,507 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354300 35430 39.88 -39443 4370.9 -43814 -43814 -0.42416 0.73312 0.24161 1.7336e+05 2023-02-16 04:28:25,678 INFO [main.py:643]
{rank 0/100} MD step = 354400 step time: 00:00:00.020318 Performance: 312.584 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:28:26,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354400 35440 40.149 -39399 4400.4 -43799 -43799 -0.42333 0.73341 0.24192 1.734e+05 2023-02-16 04:28:28,327 INFO [main.py:643]
{rank 0/100} MD step = 354500 step time: 00:00:00.021788 Performance: 312.588 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:28:28,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354500 35450 40.488 -39414 4437.5 -43851 -43851 -0.42379 0.73328 0.24111 1.7343e+05 2023-02-16 04:28:31,022 INFO [main.py:643]
{rank 0/100} MD step = 354600 step time: 00:00:00.020483 Performance: 312.590 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:28:31,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354600 35460 39.476 -39550 4326.6 -43877 -43877 -0.42383 0.73318 0.24072 1.7349e+05 2023-02-16 04:28:33,722 INFO [main.py:643]
{rank 0/100} MD step = 354700 step time: 00:00:00.020323 Performance: 312.592 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:28:34,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354700 35470 40.514 -39361 4440.3 -43801 -43801 -0.42445 0.73388 0.24018 1.7354e+05 2023-02-16 04:28:36,411 INFO [main.py:643]
{rank 0/100} MD step = 354800 step time: 00:00:00.020589 Performance: 312.594 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:28:37,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354800 35480 40.455 -39378 4433.9 -43812 -43812 -0.42556 0.7339 0.23984 1.7359e+05 2023-02-16 04:28:39,140 INFO [main.py:643]
{rank 0/100} MD step = 354900 step time: 00:00:00.020564 Performance: 312.595 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:28:39,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354900 35490 39.524 -39422 4331.9 -43754 -43754 -0.4248 0.73409 0.23976 1.7363e+05 2023-02-16 04:28:41,843 INFO [main.py:643]
{rank 0/100} MD step = 355000 step time: 00:00:00.020578 Performance: 312.597 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:28:42,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355000 35500 40.762 -39337 4467.5 -43805 -43805 -0.42437 0.73447 0.23953 1.7367e+05 2023-02-16 04:28:44,524 INFO [main.py:643]
{rank 0/100} MD step = 355100 step time: 00:00:00.020479 Performance: 312.600 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:28:44,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355100 35510 39.437 -39554 4322.3 -43876 -43876 -0.4233 0.7347 0.24018 1.7372e+05 2023-02-16 04:28:47,247 INFO [main.py:643]
{rank 0/100} MD step = 355200 step time: 00:00:00.020603 Performance: 312.601 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:28:47,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355200 35520 40.582 -39438 4447.9 -43886 -43886 -0.42264 0.73494 0.24056 1.7375e+05 2023-02-16 04:28:49,971 INFO [main.py:643]
{rank 0/100} MD step = 355300 step time: 00:00:00.020502 Performance: 312.603 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:28:50,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355300 35530 40.142 -39425 4399.6 -43825 -43825 -0.42194 0.73474 0.24013 1.7381e+05 2023-02-16 04:28:52,696 INFO [main.py:643]
{rank 0/100} MD step = 355400 step time: 00:00:00.020527 Performance: 312.604 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:28:53,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355400 35540 39.491 -39607 4328.2 -43936 -43936 -0.42168 0.73484 0.23959 1.7386e+05 2023-02-16 04:28:55,419 INFO [main.py:643]
{rank 0/100} MD step = 355500 step time: 00:00:00.020525 Performance: 312.605 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:28:56,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355500 35550 40.073 -39429 4392.1 -43821 -43821 -0.42166 0.73467 0.23945 1.7391e+05 2023-02-16 04:28:58,115 INFO [main.py:643]
{rank 0/100} MD step = 355600 step time: 00:00:00.020407 Performance: 312.607 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:28:58,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355600 35560 40.2 -39470 4406 -43876 -43876 -0.42121 0.73499 0.23952 1.7397e+05 2023-02-16 04:29:00,832 INFO [main.py:643]
{rank 0/100} MD step = 355700 step time: 00:00:00.020373 Performance: 312.609 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:01,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355700 35570 39.767 -39461 4358.5 -43820 -43820 -0.42199 0.73546 0.24036 1.7401e+05 2023-02-16 04:29:03,633 INFO [main.py:643]
{rank 0/100} MD step = 355800 step time: 00:00:00.020525 Performance: 312.608 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:29:04,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355800 35580 39.737 -39479 4355.2 -43834 -43834 -0.42228 0.73564 0.24021 1.7406e+05 2023-02-16 04:29:06,458 INFO [main.py:643]
{rank 0/100} MD step = 355900 step time: 00:00:00.020480 Performance: 312.606 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:29:07,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355900 35590 40.258 -39472 4412.3 -43884 -43884 -0.42272 0.7348 0.24064 1.741e+05 2023-02-16 04:29:09,126 INFO [main.py:643]
{rank 0/100} MD step = 356000 step time: 00:00:00.020508 Performance: 312.609 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:09,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356000 35600 39.946 -39441 4378.2 -43819 -43819 -0.4228 0.73507 0.24066 1.7416e+05 2023-02-16 04:29:11,876 INFO [main.py:643]
{rank 0/100} MD step = 356100 step time: 00:00:00.020434 Performance: 312.609 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:12,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356100 35610 40.444 -39386 4432.7 -43819 -43819 -0.42287 0.73549 0.23981 1.7421e+05 2023-02-16 04:29:14,561 INFO [main.py:643]
{rank 0/100} MD step = 356200 step time: 00:00:00.020450 Performance: 312.612 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:15,287 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356200 35620 39.576 -39542 4337.6 -43880 -43880 -0.42522 0.73495 0.24013 1.7426e+05 2023-02-16 04:29:17,348 INFO [main.py:643]
{rank 0/100} MD step = 356300 step time: 00:00:00.020488 Performance: 312.611 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:18,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356300 35630 40.471 -39354 4435.7 -43790 -43790 -0.42625 0.73497 0.2396 1.7432e+05 2023-02-16 04:29:20,115 INFO [main.py:643]
{rank 0/100} MD step = 356400 step time: 00:00:00.021028 Performance: 312.611 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:20,806 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356400 35640 40.147 -39488 4400.2 -43888 -43888 -0.42691 0.73593 0.23824 1.7437e+05 2023-02-16 04:29:22,887 INFO [main.py:643]
{rank 0/100} MD step = 356500 step time: 00:00:00.020350 Performance: 312.610 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:23,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356500 35650 39.486 -39462 4327.8 -43790 -43790 -0.4263 0.73572 0.23827 1.7443e+05 2023-02-16 04:29:25,622 INFO [main.py:643]
{rank 0/100} MD step = 356600 step time: 00:00:00.020424 Performance: 312.611 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:26,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356600 35660 39.636 -39575 4344.1 -43919 -43919 -0.42581 0.7355 0.23799 1.7448e+05 2023-02-16 04:29:28,246 INFO [main.py:643]
{rank 0/100} MD step = 356700 step time: 00:00:00.021879 Performance: 312.616 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:29,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356700 35670 39.675 -39445 4348.5 -43793 -43793 -0.42442 0.73506 0.23761 1.7452e+05 2023-02-16 04:29:31,338 INFO [main.py:643]
{rank 0/100} MD step = 356800 step time: 00:00:00.020388 Performance: 312.605 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:29:31,769 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356800 35680 40.493 -39313 4438.1 -43751 -43751 -0.42364 0.7353 0.23712 1.7458e+05 2023-02-16 04:29:34,075 INFO [main.py:643]
{rank 0/100} MD step = 356900 step time: 00:00:00.020561 Performance: 312.606 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:29:34,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356900 35690 40.513 -39433 4440.3 -43873 -43873 -0.4235 0.73479 0.23681 1.7462e+05 2023-02-16 04:29:36,783 INFO [main.py:643]
{rank 0/100} MD step = 357000 step time: 00:00:00.020600 Performance: 312.608 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:29:37,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357000 35700 40.121 -39462 4397.4 -43860 -43860 -0.42559 0.73556 0.23582 1.7467e+05 2023-02-16 04:29:39,465 INFO [main.py:643]
{rank 0/100} MD step = 357100 step time: 00:00:00.020798 Performance: 312.611 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:40,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357100 35710 39.995 -39417 4383.6 -43801 -43801 -0.42547 0.73675 0.23617 1.7472e+05 2023-02-16 04:29:42,097 INFO [main.py:643]
{rank 0/100} MD step = 357200 step time: 00:00:00.020487 Performance: 312.615 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:29:42,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357200 35720 40.242 -39373 4410.6 -43783 -43783 -0.4239 0.7373 0.23702 1.7476e+05 2023-02-16 04:29:44,790 INFO [main.py:643]
{rank 0/100} MD step = 357300 step time: 00:00:00.020386 Performance: 312.617 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:29:45,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357300 35730 40.035 -39397 4387.9 -43785 -43785 -0.42348 0.73793 0.23678 1.7481e+05 2023-02-16 04:29:47,536 INFO [main.py:643]
{rank 0/100} MD step = 357400 step time: 00:00:00.020479 Performance: 312.618 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:29:48,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357400 35740 40.667 -39389 4457.2 -43846 -43846 -0.42426 0.73893 0.23684 1.7486e+05 2023-02-16 04:29:50,257 INFO [main.py:643]
{rank 0/100} MD step = 357500 step time: 00:00:00.020457 Performance: 312.619 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:29:50,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357500 35750 40.679 -39414 4458.5 -43873 -43873 -0.42528 0.73874 0.23712 1.749e+05 2023-02-16 04:29:52,915 INFO [main.py:643]
{rank 0/100} MD step = 357600 step time: 00:00:00.020490 Performance: 312.622 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:29:53,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357600 35760 40.343 -39413 4421.6 -43835 -43835 -0.4248 0.73956 0.23702 1.7495e+05 2023-02-16 04:29:55,642 INFO [main.py:643]
{rank 0/100} MD step = 357700 step time: 00:00:00.020423 Performance: 312.623 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:29:56,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357700 35770 39.925 -39447 4375.8 -43823 -43823 -0.42442 0.7401 0.23735 1.7498e+05 2023-02-16 04:29:58,349 INFO [main.py:643]
{rank 0/100} MD step = 357800 step time: 00:00:00.021717 Performance: 312.625 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:29:58,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357800 35780 40.303 -39403 4417.2 -43820 -43820 -0.42557 0.74013 0.23757 1.7505e+05 2023-02-16 04:30:01,080 INFO [main.py:643]
{rank 0/100} MD step = 357900 step time: 00:00:00.020467 Performance: 312.626 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:01,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357900 35790 39.905 -39408 4373.7 -43781 -43781 -0.42712 0.73882 0.23744 1.7509e+05 2023-02-16 04:30:03,785 INFO [main.py:643]
{rank 0/100} MD step = 358000 step time: 00:00:00.020546 Performance: 312.628 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:04,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358000 35800 40.905 -39292 4483.2 -43775 -43775 -0.42627 0.73882 0.23746 1.7513e+05 2023-02-16 04:30:06,476 INFO [main.py:643]
{rank 0/100} MD step = 358100 step time: 00:00:00.020409 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:07,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358100 35810 39.281 -39487 4305.2 -43792 -43792 -0.4265 0.7392 0.23817 1.7521e+05 2023-02-16 04:30:09,272 INFO [main.py:643]
{rank 0/100} MD step = 358200 step time: 00:00:00.020415 Performance: 312.629 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:09,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358200 35820 40.387 -39374 4426.5 -43800 -43800 -0.42517 0.7396 0.23807 1.7524e+05 2023-02-16 04:30:11,958 INFO [main.py:643]
{rank 0/100} MD step = 358300 step time: 00:00:00.020356 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:12,598 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358300 35830 40.193 -39515 4405.3 -43920 -43920 -0.42593 0.73986 0.23895 1.7528e+05 2023-02-16 04:30:14,644 INFO [main.py:643]
{rank 0/100} MD step = 358400 step time: 00:00:00.020672 Performance: 312.634 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:15,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358400 35840 39.828 -39492 4365.2 -43857 -43857 -0.42575 0.73961 0.23838 1.7534e+05 2023-02-16 04:30:17,477 INFO [main.py:643]
{rank 0/100} MD step = 358500 step time: 00:00:00.020509 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:18,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358500 35850 40.039 -39463 4388.4 -43851 -43851 -0.42519 0.74038 0.23822 1.7539e+05 2023-02-16 04:30:20,180 INFO [main.py:643]
{rank 0/100} MD step = 358600 step time: 00:00:00.020511 Performance: 312.634 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:20,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358600 35860 40.019 -39509 4386.1 -43895 -43895 -0.4244 0.74023 0.23712 1.7543e+05 2023-02-16 04:30:22,910 INFO [main.py:643]
{rank 0/100} MD step = 358700 step time: 00:00:00.020575 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:23,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358700 35870 39.95 -39424 4378.6 -43803 -43803 -0.42547 0.74068 0.23818 1.755e+05 2023-02-16 04:30:25,640 INFO [main.py:643]
{rank 0/100} MD step = 358800 step time: 00:00:00.020604 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:26,361 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358800 35880 40.225 -39446 4408.7 -43854 -43854 -0.42593 0.74018 0.23777 1.7554e+05 2023-02-16 04:30:28,399 INFO [main.py:643]
{rank 0/100} MD step = 358900 step time: 00:00:00.021299 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:29,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358900 35890 39.66 -39462 4346.8 -43809 -43809 -0.4253 0.73998 0.23767 1.7559e+05 2023-02-16 04:30:31,238 INFO [main.py:643]
{rank 0/100} MD step = 359000 step time: 00:00:00.020492 Performance: 312.634 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:32,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359000 35900 39.652 -39564 4345.9 -43910 -43910 -0.42193 0.74076 0.23755 1.7563e+05 2023-02-16 04:30:34,117 INFO [main.py:643]
{rank 0/100} MD step = 359100 step time: 00:00:00.020447 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:30:34,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359100 35910 40.276 -39485 4414.3 -43899 -43899 -0.42132 0.74066 0.2372 1.7568e+05 2023-02-16 04:30:36,745 INFO [main.py:643]
{rank 0/100} MD step = 359200 step time: 00:00:00.020367 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:37,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359200 35920 39.957 -39458 4379.4 -43837 -43837 -0.42128 0.74045 0.23771 1.7572e+05 2023-02-16 04:30:39,445 INFO [main.py:643]
{rank 0/100} MD step = 359300 step time: 00:00:00.020590 Performance: 312.637 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:39,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359300 35930 40.249 -39361 4411.3 -43772 -43772 -0.42178 0.74152 0.23801 1.7579e+05 2023-02-16 04:30:42,159 INFO [main.py:643]
{rank 0/100} MD step = 359400 step time: 00:00:00.020434 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:42,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359400 35940 39.959 -39425 4379.6 -43805 -43805 -0.42325 0.74092 0.23863 1.7584e+05 2023-02-16 04:30:44,867 INFO [main.py:643]
{rank 0/100} MD step = 359500 step time: 00:00:00.020451 Performance: 312.640 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:45,547 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359500 35950 40.33 -39435 4420.2 -43855 -43855 -0.42311 0.74094 0.23893 1.7589e+05 2023-02-16 04:30:47,578 INFO [main.py:643]
{rank 0/100} MD step = 359600 step time: 00:00:00.020456 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:30:48,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359600 35960 39.921 -39514 4375.4 -43889 -43889 -0.42322 0.74122 0.23845 1.7593e+05 2023-02-16 04:30:50,273 INFO [main.py:643]
{rank 0/100} MD step = 359700 step time: 00:00:00.020492 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:30:51,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359700 35970 39.947 -39432 4378.2 -43810 -43810 -0.4244 0.74172 0.23906 1.7598e+05 2023-02-16 04:30:53,962 INFO [main.py:643]
{rank 0/100} MD step = 359800 step time: 00:00:00.020304 Performance: 312.615 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:30:54,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359800 35980 39.936 -39390 4377 -43767 -43767 -0.42417 0.74213 0.2384 1.7602e+05 2023-02-16 04:30:56,637 INFO [main.py:643]
{rank 0/100} MD step = 359900 step time: 00:00:00.020552 Performance: 312.617 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:30:57,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359900 35990 40.359 -39382 4423.4 -43805 -43805 -0.42494 0.74198 0.23834 1.7606e+05 2023-02-16 04:30:59,340 INFO [main.py:643]
{rank 0/100} MD step = 360000 step time: 00:00:00.020501 Performance: 312.619 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:31:00,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360000 36000 39.981 -39402 4382 -43784 -43784 -0.42612 0.74248 0.23818 1.7613e+05 2023-02-16 04:31:02,049 INFO [main.py:643]
{rank 0/100} MD step = 360100 step time: 00:00:00.020563 Performance: 312.621 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:31:02,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360100 36010 39.69 -39508 4350.1 -43858 -43858 -0.4272 0.74204 0.23857 1.7617e+05 2023-02-16 04:31:04,691 INFO [main.py:643]
{rank 0/100} MD step = 360200 step time: 00:00:00.020399 Performance: 312.625 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:31:05,378 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360200 36020 39.599 -39605 4340.1 -43945 -43945 -0.42854 0.74263 0.23895 1.7621e+05 2023-02-16 04:31:07,410 INFO [main.py:643]
{rank 0/100} MD step = 360300 step time: 00:00:00.020578 Performance: 312.626 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:31:08,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360300 36030 40.495 -39458 4438.3 -43896 -43896 -0.42968 0.74281 0.23866 1.7627e+05 2023-02-16 04:31:10,114 INFO [main.py:643]
{rank 0/100} MD step = 360400 step time: 00:00:00.020363 Performance: 312.628 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:31:10,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360400 36040 40.129 -39508 4398.2 -43906 -43906 -0.42986 0.74309 0.23868 1.7632e+05 2023-02-16 04:31:12,897 INFO [main.py:643]
{rank 0/100} MD step = 360500 step time: 00:00:00.020438 Performance: 312.628 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:31:13,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360500 36050 39.507 -39446 4330.1 -43777 -43777 -0.43084 0.74375 0.23903 1.7637e+05 2023-02-16 04:31:15,612 INFO [main.py:643]
{rank 0/100} MD step = 360600 step time: 00:00:00.020378 Performance: 312.629 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:31:16,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360600 36060 39.786 -39478 4360.6 -43839 -43839 -0.43143 0.74354 0.23803 1.7643e+05 2023-02-16 04:31:18,360 INFO [main.py:643]
{rank 0/100} MD step = 360700 step time: 00:00:00.021648 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:31:19,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360700 36070 39.731 -39477 4354.6 -43832 -43832 -0.43242 0.74384 0.23736 1.7648e+05 2023-02-16 04:31:21,102 INFO [main.py:643]
{rank 0/100} MD step = 360800 step time: 00:00:00.020439 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:31:21,773 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360800 36080 39.751 -39515 4356.7 -43872 -43872 -0.43274 0.7448 0.23834 1.7652e+05 2023-02-16 04:31:23,880 INFO [main.py:643]
{rank 0/100} MD step = 360900 step time: 00:00:00.020487 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:31:24,225 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360900 36090 40.124 -39441 4397.7 -43839 -43839 -0.43276 0.74551 0.23716 1.7657e+05 2023-02-16 04:31:26,528 INFO [main.py:643]
{rank 0/100} MD step = 361000 step time: 00:00:00.020531 Performance: 312.633 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:31:27,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361000 36100 39.74 -39428 4355.5 -43784 -43784 -0.43223 0.74588 0.23715 1.7663e+05 2023-02-16 04:31:29,249 INFO [main.py:643]
{rank 0/100} MD step = 361100 step time: 00:00:00.020385 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:31:29,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361100 36110 39.743 -39509 4355.8 -43865 -43865 -0.43006 0.74557 0.23723 1.7668e+05 2023-02-16 04:31:32,027 INFO [main.py:643]
{rank 0/100} MD step = 361200 step time: 00:00:00.020335 Performance: 312.634 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:31:32,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361200 36120 40.414 -39447 4429.4 -43877 -43877 -0.43086 0.74511 0.23754 1.7673e+05 2023-02-16 04:31:34,700 INFO [main.py:643]
{rank 0/100} MD step = 361300 step time: 00:00:00.020800 Performance: 312.637 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:31:35,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361300 36130 39.509 -39473 4330.2 -43803 -43803 -0.4306 0.74495 0.23829 1.7678e+05 2023-02-16 04:31:37,488 INFO [main.py:643]
{rank 0/100} MD step = 361400 step time: 00:00:00.020418 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:31:38,229 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361400 36140 40.651 -39404 4455.3 -43859 -43859 -0.42919 0.74546 0.23763 1.7683e+05 2023-02-16 04:31:40,281 INFO [main.py:643]
{rank 0/100} MD step = 361500 step time: 00:00:00.020464 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:31:40,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361500 36150 40.193 -39386 4405.2 -43791 -43791 -0.43019 0.74573 0.23822 1.7687e+05 2023-02-16 04:31:42,955 INFO [main.py:643]
{rank 0/100} MD step = 361600 step time: 00:00:00.020545 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:31:43,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361600 36160 39.72 -39476 4353.4 -43830 -43830 -0.43033 0.74473 0.23786 1.7693e+05 2023-02-16 04:31:45,621 INFO [main.py:643]
{rank 0/100} MD step = 361700 step time: 00:00:00.020489 Performance: 312.641 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:31:46,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361700 36170 39.537 -39579 4333.3 -43912 -43912 -0.43153 0.74494 0.23727 1.7696e+05 2023-02-16 04:31:48,264 INFO [main.py:643]
{rank 0/100} MD step = 361800 step time: 00:00:00.021799 Performance: 312.645 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:31:48,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361800 36180 39.555 -39538 4335.2 -43873 -43873 -0.43177 0.74486 0.23636 1.7701e+05 2023-02-16 04:31:50,957 INFO [main.py:643]
{rank 0/100} MD step = 361900 step time: 00:00:00.020572 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:31:51,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361900 36190 40.001 -39446 4384.1 -43830 -43830 -0.43137 0.74427 0.23571 1.7707e+05 2023-02-16 04:31:53,762 INFO [main.py:643]
{rank 0/100} MD step = 362000 step time: 00:00:00.020507 Performance: 312.646 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:31:54,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362000 36200 40.217 -39300 4407.8 -43708 -43708 -0.43102 0.74479 0.23686 1.7712e+05 2023-02-16 04:31:56,421 INFO [main.py:643]
{rank 0/100} MD step = 362100 step time: 00:00:00.020548 Performance: 312.649 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:31:57,058 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362100 36210 39.912 -39413 4374.4 -43787 -43787 -0.42998 0.74519 0.23758 1.7715e+05 2023-02-16 04:31:59,101 INFO [main.py:643]
{rank 0/100} MD step = 362200 step time: 00:00:00.020503 Performance: 312.652 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:31:59,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362200 36220 39.982 -39473 4382 -43855 -43855 -0.42886 0.74501 0.23806 1.7722e+05 2023-02-16 04:32:01,891 INFO [main.py:643]
{rank 0/100} MD step = 362300 step time: 00:00:00.020410 Performance: 312.651 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:32:02,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362300 36230 40.188 -39420 4404.6 -43825 -43825 -0.4305 0.74565 0.23818 1.7726e+05 2023-02-16 04:32:04,767 INFO [main.py:643]
{rank 0/100} MD step = 362400 step time: 00:00:00.020521 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:32:05,624 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362400 36240 40.01 -39490 4385.1 -43875 -43875 -0.42949 0.74544 0.23761 1.773e+05 2023-02-16 04:32:07,717 INFO [main.py:643]
{rank 0/100} MD step = 362500 step time: 00:00:00.020557 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:08,639 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362500 36250 40.069 -39443 4391.6 -43835 -43835 -0.43033 0.74563 0.23798 1.7734e+05 2023-02-16 04:32:10,694 INFO [main.py:643]
{rank 0/100} MD step = 362600 step time: 00:00:00.020342 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:11,227 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362600 36260 40.136 -39483 4399 -43882 -43882 -0.42835 0.74598 0.23831 1.7739e+05 2023-02-16 04:32:13,553 INFO [main.py:643]
{rank 0/100} MD step = 362700 step time: 00:00:00.020432 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:14,249 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362700 36270 39.525 -39549 4332 -43881 -43881 -0.42825 0.74667 0.23844 1.7744e+05 2023-02-16 04:32:16,282 INFO [main.py:643]
{rank 0/100} MD step = 362800 step time: 00:00:00.020458 Performance: 312.633 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:16,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362800 36280 39.836 -39390 4366.1 -43756 -43756 -0.42757 0.74702 0.23837 1.7751e+05 2023-02-16 04:32:19,122 INFO [main.py:643]
{rank 0/100} MD step = 362900 step time: 00:00:00.020458 Performance: 312.631 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:19,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362900 36290 39.694 -39449 4350.5 -43799 -43799 -0.42617 0.74769 0.23774 1.7755e+05 2023-02-16 04:32:21,791 INFO [main.py:643]
{rank 0/100} MD step = 363000 step time: 00:00:00.020563 Performance: 312.634 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:22,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363000 36300 40.032 -39448 4387.5 -43836 -43836 -0.42541 0.74886 0.23818 1.7759e+05 2023-02-16 04:32:24,520 INFO [main.py:643]
{rank 0/100} MD step = 363100 step time: 00:00:00.020444 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:25,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363100 36310 40.38 -39404 4425.7 -43830 -43830 -0.4265 0.74894 0.23777 1.7764e+05 2023-02-16 04:32:27,265 INFO [main.py:643]
{rank 0/100} MD step = 363200 step time: 00:00:00.020314 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:27,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363200 36320 40.135 -39454 4398.8 -43853 -43853 -0.42699 0.74906 0.23845 1.7767e+05 2023-02-16 04:32:30,007 INFO [main.py:643]
{rank 0/100} MD step = 363300 step time: 00:00:00.020618 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:30,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363300 36330 40.057 -39441 4390.3 -43831 -43831 -0.4267 0.74943 0.23841 1.7773e+05 2023-02-16 04:32:32,760 INFO [main.py:643]
{rank 0/100} MD step = 363400 step time: 00:00:00.020558 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:33,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363400 36340 39.652 -39469 4345.9 -43815 -43815 -0.42473 0.75017 0.23851 1.7775e+05 2023-02-16 04:32:35,474 INFO [main.py:643]
{rank 0/100} MD step = 363500 step time: 00:00:00.020484 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:36,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363500 36350 39.887 -39422 4371.6 -43794 -43794 -0.42486 0.75105 0.23804 1.7781e+05 2023-02-16 04:32:38,417 INFO [main.py:643]
{rank 0/100} MD step = 363600 step time: 00:00:00.020950 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:39,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363600 36360 40.402 -39403 4428.1 -43831 -43831 -0.42488 0.75142 0.23763 1.7785e+05 2023-02-16 04:32:41,187 INFO [main.py:643]
{rank 0/100} MD step = 363700 step time: 00:00:00.020400 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:41,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363700 36370 40.314 -39372 4418.4 -43790 -43790 -0.4254 0.75183 0.23829 1.7791e+05 2023-02-16 04:32:44,096 INFO [main.py:643]
{rank 0/100} MD step = 363800 step time: 00:00:00.020364 Performance: 312.628 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:44,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363800 36380 39.93 -39507 4376.4 -43884 -43884 -0.42689 0.7519 0.23832 1.7795e+05 2023-02-16 04:32:46,819 INFO [main.py:643]
{rank 0/100} MD step = 363900 step time: 00:00:00.020503 Performance: 312.629 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:47,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363900 36390 39.681 -39446 4349.1 -43795 -43795 -0.42708 0.75124 0.23784 1.78e+05 2023-02-16 04:32:49,537 INFO [main.py:643]
{rank 0/100} MD step = 364000 step time: 00:00:00.020308 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:50,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364000 36400 39.945 -39393 4378 -43771 -43771 -0.42688 0.75151 0.23763 1.7805e+05 2023-02-16 04:32:52,256 INFO [main.py:643]
{rank 0/100} MD step = 364100 step time: 00:00:00.020905 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:32:52,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364100 36410 40.638 -39439 4454 -43893 -43893 -0.4262 0.75205 0.23804 1.7811e+05 2023-02-16 04:32:54,885 INFO [main.py:643]
{rank 0/100} MD step = 364200 step time: 00:00:00.020469 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:55,600 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364200 36420 39.772 -39455 4359.1 -43814 -43814 -0.42677 0.75112 0.23838 1.7816e+05 2023-02-16 04:32:57,692 INFO [main.py:643]
{rank 0/100} MD step = 364300 step time: 00:00:00.020277 Performance: 312.634 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:32:58,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364300 36430 39.976 -39429 4381.4 -43810 -43810 -0.42848 0.75189 0.23794 1.7822e+05 2023-02-16 04:33:00,351 INFO [main.py:643]
{rank 0/100} MD step = 364400 step time: 00:00:00.020337 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:33:00,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364400 36440 39.985 -39442 4382.4 -43824 -43824 -0.42865 0.7526 0.23839 1.7826e+05 2023-02-16 04:33:02,994 INFO [main.py:643]
{rank 0/100} MD step = 364500 step time: 00:00:00.020343 Performance: 312.641 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:33:03,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364500 36450 40.204 -39457 4406.4 -43863 -43863 -0.4288 0.75219 0.23847 1.7831e+05 2023-02-16 04:33:05,636 INFO [main.py:643]
{rank 0/100} MD step = 364600 step time: 00:00:00.020394 Performance: 312.645 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:06,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364600 36460 39.997 -39399 4383.7 -43782 -43782 -0.42957 0.75235 0.23869 1.7835e+05 2023-02-16 04:33:08,350 INFO [main.py:643]
{rank 0/100} MD step = 364700 step time: 00:00:00.021781 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:09,047 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364700 36470 40.046 -39433 4389.1 -43822 -43822 -0.4289 0.75345 0.23873 1.7839e+05 2023-02-16 04:33:11,075 INFO [main.py:643]
{rank 0/100} MD step = 364800 step time: 00:00:00.020419 Performance: 312.648 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:11,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364800 36480 39.715 -39513 4352.8 -43865 -43865 -0.42947 0.75357 0.23844 1.7842e+05 2023-02-16 04:33:13,808 INFO [main.py:643]
{rank 0/100} MD step = 364900 step time: 00:00:00.020617 Performance: 312.649 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:14,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364900 36490 39.832 -39481 4365.6 -43847 -43847 -0.43083 0.75305 0.23963 1.7848e+05 2023-02-16 04:33:16,541 INFO [main.py:643]
{rank 0/100} MD step = 365000 step time: 00:00:00.020390 Performance: 312.650 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:17,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365000 36500 39.384 -39538 4316.6 -43855 -43855 -0.42945 0.7527 0.24057 1.7852e+05 2023-02-16 04:33:19,299 INFO [main.py:643]
{rank 0/100} MD step = 365100 step time: 00:00:00.020603 Performance: 312.650 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:19,919 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365100 36510 39.42 -39470 4320.4 -43790 -43790 -0.42877 0.75359 0.2417 1.7857e+05 2023-02-16 04:33:22,003 INFO [main.py:643]
{rank 0/100} MD step = 365200 step time: 00:00:00.020510 Performance: 312.652 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:33:22,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365200 36520 40.221 -39425 4408.3 -43833 -43833 -0.4297 0.75397 0.24107 1.7863e+05 2023-02-16 04:33:24,694 INFO [main.py:643]
{rank 0/100} MD step = 365300 step time: 00:00:00.020459 Performance: 312.654 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:33:25,308 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365300 36530 40.273 -39451 4414 -43865 -43865 -0.42955 0.7542 0.24148 1.7867e+05 2023-02-16 04:33:27,338 INFO [main.py:643]
{rank 0/100} MD step = 365400 step time: 00:00:00.020475 Performance: 312.658 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:33:28,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365400 36540 39.779 -39466 4359.8 -43826 -43826 -0.43104 0.754 0.24113 1.7872e+05 2023-02-16 04:33:30,124 INFO [main.py:643]
{rank 0/100} MD step = 365500 step time: 00:00:00.020557 Performance: 312.657 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:33:30,852 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365500 36550 40.028 -39488 4387.1 -43875 -43875 -0.43081 0.75474 0.24062 1.7877e+05 2023-02-16 04:33:32,888 INFO [main.py:643]
{rank 0/100} MD step = 365600 step time: 00:00:00.020465 Performance: 312.657 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:33:33,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365600 36560 40.644 -39433 4454.6 -43887 -43887 -0.43112 0.75576 0.24033 1.7882e+05 2023-02-16 04:33:36,130 INFO [main.py:643]
{rank 0/100} MD step = 365700 step time: 00:00:00.020546 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:33:36,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365700 36570 40.272 -39405 4413.9 -43819 -43819 -0.43159 0.75566 0.23968 1.7886e+05 2023-02-16 04:33:38,980 INFO [main.py:643]
{rank 0/100} MD step = 365800 step time: 00:00:00.020502 Performance: 312.640 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:33:39,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365800 36580 40.811 -39313 4472.9 -43786 -43786 -0.43183 0.75524 0.23994 1.7892e+05 2023-02-16 04:33:41,678 INFO [main.py:643]
{rank 0/100} MD step = 365900 step time: 00:00:00.020857 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:33:42,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365900 36590 39.827 -39480 4365.1 -43845 -43845 -0.43241 0.75505 0.24108 1.7896e+05 2023-02-16 04:33:44,402 INFO [main.py:643]
{rank 0/100} MD step = 366000 step time: 00:00:00.020500 Performance: 312.643 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:45,143 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366000 36600 39.845 -39490 4367 -43857 -43857 -0.4311 0.75444 0.24287 1.7901e+05 2023-02-16 04:33:47,203 INFO [main.py:643]
{rank 0/100} MD step = 366100 step time: 00:00:00.020551 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:33:47,852 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366100 36610 39.826 -39454 4365 -43819 -43819 -0.43137 0.75488 0.24277 1.7907e+05 2023-02-16 04:33:49,898 INFO [main.py:643]
{rank 0/100} MD step = 366200 step time: 00:00:00.020471 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:50,600 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366200 36620 40.444 -39392 4432.7 -43825 -43825 -0.43001 0.75516 0.24266 1.7911e+05 2023-02-16 04:33:52,675 INFO [main.py:643]
{rank 0/100} MD step = 366300 step time: 00:00:00.020415 Performance: 312.643 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:53,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366300 36630 39.954 -39561 4379 -43940 -43940 -0.43037 0.75595 0.24279 1.7917e+05 2023-02-16 04:33:55,420 INFO [main.py:643]
{rank 0/100} MD step = 366400 step time: 00:00:00.020496 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:56,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366400 36640 39.762 -39464 4357.9 -43822 -43822 -0.42947 0.75661 0.24241 1.7923e+05 2023-02-16 04:33:58,214 INFO [main.py:643]
{rank 0/100} MD step = 366500 step time: 00:00:00.021881 Performance: 312.643 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:33:58,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366500 36650 40.236 -39453 4410 -43863 -43863 -0.4297 0.7572 0.24278 1.7927e+05 2023-02-16 04:34:00,947 INFO [main.py:643]
{rank 0/100} MD step = 366600 step time: 00:00:00.020480 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:34:01,631 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366600 36660 40.225 -39384 4408.7 -43793 -43793 -0.43 0.75755 0.24285 1.7933e+05 2023-02-16 04:34:03,685 INFO [main.py:643]
{rank 0/100} MD step = 366700 step time: 00:00:00.020459 Performance: 312.645 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:34:04,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366700 36670 40.066 -39497 4391.3 -43888 -43888 -0.42868 0.75763 0.24161 1.7937e+05 2023-02-16 04:34:06,875 INFO [main.py:643]
{rank 0/100} MD step = 366800 step time: 00:00:00.020438 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:34:07,677 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366800 36680 39.408 -39515 4319.2 -43834 -43834 -0.42775 0.75904 0.24373 1.7941e+05 2023-02-16 04:34:09,885 INFO [main.py:643]
{rank 0/100} MD step = 366900 step time: 00:00:00.020493 Performance: 312.624 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:34:10,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366900 36690 40.425 -39324 4430.6 -43754 -43754 -0.42721 0.76016 0.24438 1.7946e+05 2023-02-16 04:34:12,596 INFO [main.py:643]
{rank 0/100} MD step = 367000 step time: 00:00:00.021392 Performance: 312.626 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:34:13,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367000 36700 39.93 -39479 4376.4 -43855 -43855 -0.42716 0.75976 0.24445 1.7951e+05 2023-02-16 04:34:15,336 INFO [main.py:643]
{rank 0/100} MD step = 367100 step time: 00:00:00.020363 Performance: 312.626 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:34:15,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367100 36710 40.181 -39456 4403.9 -43859 -43859 -0.42668 0.76013 0.24385 1.7956e+05 2023-02-16 04:34:18,016 INFO [main.py:643]
{rank 0/100} MD step = 367200 step time: 00:00:00.020437 Performance: 312.629 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:34:18,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367200 36720 39.112 -39576 4286.8 -43863 -43863 -0.42857 0.76023 0.24373 1.7962e+05 2023-02-16 04:34:20,733 INFO [main.py:643]
{rank 0/100} MD step = 367300 step time: 00:00:00.020571 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:34:21,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367300 36730 40.089 -39441 4393.8 -43835 -43835 -0.4283 0.75959 0.24442 1.7967e+05 2023-02-16 04:34:23,412 INFO [main.py:643]
{rank 0/100} MD step = 367400 step time: 00:00:00.020391 Performance: 312.633 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:34:24,068 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367400 36740 39.962 -39450 4379.9 -43829 -43829 -0.42909 0.75902 0.24324 1.7972e+05 2023-02-16 04:34:26,104 INFO [main.py:643]
{rank 0/100} MD step = 367500 step time: 00:00:00.020547 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:26,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367500 36750 39.56 -39502 4335.8 -43838 -43838 -0.42839 0.75951 0.24327 1.7976e+05 2023-02-16 04:34:28,846 INFO [main.py:643]
{rank 0/100} MD step = 367600 step time: 00:00:00.020404 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:29,563 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367600 36760 39.923 -39462 4375.6 -43837 -43837 -0.42769 0.7608 0.24394 1.7983e+05 2023-02-16 04:34:31,666 INFO [main.py:643]
{rank 0/100} MD step = 367700 step time: 00:00:00.020590 Performance: 312.634 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:32,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367700 36770 40.004 -39400 4384.5 -43785 -43785 -0.42929 0.7599 0.24371 1.7988e+05 2023-02-16 04:34:34,340 INFO [main.py:643]
{rank 0/100} MD step = 367800 step time: 00:00:00.020721 Performance: 312.637 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:34,955 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367800 36780 39.444 -39506 4323.1 -43829 -43829 -0.42953 0.75945 0.24407 1.7993e+05 2023-02-16 04:34:37,077 INFO [main.py:643]
{rank 0/100} MD step = 367900 step time: 00:00:00.020456 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:37,714 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367900 36790 40.12 -39482 4397.2 -43879 -43879 -0.42905 0.75943 0.24358 1.7998e+05 2023-02-16 04:34:39,954 INFO [main.py:643]
{rank 0/100} MD step = 368000 step time: 00:00:00.020433 Performance: 312.634 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:40,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368000 36800 40.196 -39469 4405.6 -43874 -43874 -0.42857 0.75938 0.24339 1.8001e+05 2023-02-16 04:34:42,665 INFO [main.py:643]
{rank 0/100} MD step = 368100 step time: 00:00:00.020770 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:43,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368100 36810 40.355 -39458 4423 -43881 -43881 -0.43035 0.75955 0.24276 1.8006e+05 2023-02-16 04:34:45,420 INFO [main.py:643]
{rank 0/100} MD step = 368200 step time: 00:00:00.020292 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:46,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368200 36820 40.27 -39484 4413.6 -43897 -43897 -0.43126 0.76061 0.24277 1.8009e+05 2023-02-16 04:34:48,263 INFO [main.py:643]
{rank 0/100} MD step = 368300 step time: 00:00:00.021849 Performance: 312.634 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:34:48,944 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368300 36830 39.572 -39459 4337.2 -43797 -43797 -0.4319 0.76154 0.24363 1.8015e+05 2023-02-16 04:34:50,976 INFO [main.py:643]
{rank 0/100} MD step = 368400 step time: 00:00:00.020334 Performance: 312.635 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:51,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368400 36840 39.831 -39465 4365.5 -43830 -43830 -0.43187 0.76141 0.24344 1.802e+05 2023-02-16 04:34:53,706 INFO [main.py:643]
{rank 0/100} MD step = 368500 step time: 00:00:00.020547 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:54,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368500 36850 40.169 -39455 4402.6 -43857 -43857 -0.43162 0.76096 0.24411 1.8025e+05 2023-02-16 04:34:56,451 INFO [main.py:643]
{rank 0/100} MD step = 368600 step time: 00:00:00.020463 Performance: 312.637 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:56,998 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368600 36860 39.843 -39504 4366.9 -43871 -43871 -0.431 0.76055 0.24386 1.803e+05 2023-02-16 04:34:59,139 INFO [main.py:643]
{rank 0/100} MD step = 368700 step time: 00:00:00.020384 Performance: 312.639 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:34:59,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368700 36870 39.941 -39517 4377.6 -43895 -43895 -0.43141 0.76006 0.24351 1.8032e+05 2023-02-16 04:35:01,907 INFO [main.py:643]
{rank 0/100} MD step = 368800 step time: 00:00:00.020613 Performance: 312.639 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:35:02,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368800 36880 40.746 -39426 4465.8 -43891 -43891 -0.43201 0.75962 0.24459 1.8038e+05 2023-02-16 04:35:04,584 INFO [main.py:643]
{rank 0/100} MD step = 368900 step time: 00:00:00.020352 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:35:05,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368900 36890 40.173 -39391 4403 -43794 -43794 -0.43061 0.7605 0.24508 1.8044e+05 2023-02-16 04:35:07,344 INFO [main.py:643]
{rank 0/100} MD step = 369000 step time: 00:00:00.020514 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:35:07,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369000 36900 39.908 -39439 4374 -43813 -43813 -0.4323 0.76155 0.24506 1.8048e+05 2023-02-16 04:35:10,116 INFO [main.py:643]
{rank 0/100} MD step = 369100 step time: 00:00:00.020397 Performance: 312.642 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:35:10,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369100 36910 40.447 -39367 4433.1 -43800 -43800 -0.43227 0.76123 0.24488 1.8055e+05 2023-02-16 04:35:12,817 INFO [main.py:643]
{rank 0/100} MD step = 369200 step time: 00:00:00.020392 Performance: 312.643 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:35:13,343 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369200 36920 40.384 -39347 4426.2 -43773 -43773 -0.43199 0.7609 0.24329 1.806e+05 2023-02-16 04:35:15,545 INFO [main.py:643]
{rank 0/100} MD step = 369300 step time: 00:00:00.020600 Performance: 312.645 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:35:16,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369300 36930 40.576 -39433 4447.2 -43880 -43880 -0.43161 0.76141 0.24304 1.8065e+05 2023-02-16 04:35:18,341 INFO [main.py:643]
{rank 0/100} MD step = 369400 step time: 00:00:00.021776 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:35:18,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369400 36940 39.854 -39484 4368.1 -43852 -43852 -0.43136 0.76145 0.24375 1.8071e+05 2023-02-16 04:35:21,057 INFO [main.py:643]
{rank 0/100} MD step = 369500 step time: 00:00:00.020600 Performance: 312.645 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:35:21,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369500 36950 40.529 -39378 4442.1 -43820 -43820 -0.43136 0.76138 0.24422 1.8074e+05 2023-02-16 04:35:23,733 INFO [main.py:643]
{rank 0/100} MD step = 369600 step time: 00:00:00.020547 Performance: 312.648 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:35:24,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369600 36960 39.958 -39375 4379.5 -43755 -43755 -0.43109 0.76073 0.2443 1.808e+05 2023-02-16 04:35:26,382 INFO [main.py:643]
{rank 0/100} MD step = 369700 step time: 00:00:00.020512 Performance: 312.651 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:35:26,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369700 36970 39.823 -39447 4364.6 -43811 -43811 -0.43118 0.76086 0.24365 1.8084e+05 2023-02-16 04:35:29,068 INFO [main.py:643]
{rank 0/100} MD step = 369800 step time: 00:00:00.020856 Performance: 312.654 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:29,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369800 36980 40.411 -39329 4429.1 -43758 -43758 -0.43079 0.76111 0.24344 1.8089e+05 2023-02-16 04:35:31,746 INFO [main.py:643]
{rank 0/100} MD step = 369900 step time: 00:00:00.020572 Performance: 312.656 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:32,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369900 36990 40.003 -39405 4384.4 -43790 -43790 -0.4297 0.76205 0.24358 1.8093e+05 2023-02-16 04:35:34,517 INFO [main.py:643]
{rank 0/100} MD step = 370000 step time: 00:00:00.020544 Performance: 312.656 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:35,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370000 37000 40.238 -39394 4410.2 -43804 -43804 -0.42989 0.76227 0.24431 1.8098e+05 2023-02-16 04:35:37,355 INFO [main.py:643]
{rank 0/100} MD step = 370100 step time: 00:00:00.020418 Performance: 312.654 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:37,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370100 37010 40.176 -39412 4403.4 -43815 -43815 -0.42924 0.76204 0.24464 1.8103e+05 2023-02-16 04:35:40,105 INFO [main.py:643]
{rank 0/100} MD step = 370200 step time: 00:00:00.020504 Performance: 312.654 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:40,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370200 37020 39.459 -39537 4324.7 -43862 -43862 -0.42971 0.76253 0.24504 1.8109e+05 2023-02-16 04:35:42,865 INFO [main.py:643]
{rank 0/100} MD step = 370300 step time: 00:00:00.020515 Performance: 312.654 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:43,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370300 37030 40.119 -39447 4397.1 -43844 -43844 -0.43081 0.76207 0.24552 1.8112e+05 2023-02-16 04:35:45,723 INFO [main.py:643]
{rank 0/100} MD step = 370400 step time: 00:00:00.020550 Performance: 312.651 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:35:46,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370400 37040 40.143 -39380 4399.7 -43779 -43779 -0.43031 0.76107 0.24508 1.8117e+05 2023-02-16 04:35:48,467 INFO [main.py:643]
{rank 0/100} MD step = 370500 step time: 00:00:00.020418 Performance: 312.652 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:49,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370500 37050 39.442 -39538 4322.9 -43861 -43861 -0.43006 0.76049 0.24497 1.8122e+05 2023-02-16 04:35:51,187 INFO [main.py:643]
{rank 0/100} MD step = 370600 step time: 00:00:00.020523 Performance: 312.653 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:51,578 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370600 37060 40.03 -39496 4387.3 -43884 -43884 -0.42922 0.7612 0.24552 1.8129e+05 2023-02-16 04:35:53,878 INFO [main.py:643]
{rank 0/100} MD step = 370700 step time: 00:00:00.020411 Performance: 312.655 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:54,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370700 37070 40.006 -39426 4384.8 -43811 -43811 -0.4307 0.76138 0.24606 1.8132e+05 2023-02-16 04:35:56,534 INFO [main.py:643]
{rank 0/100} MD step = 370800 step time: 00:00:00.020305 Performance: 312.659 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:35:57,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370800 37080 39.387 -39547 4316.9 -43864 -43864 -0.42915 0.76235 0.24599 1.8137e+05 2023-02-16 04:35:59,202 INFO [main.py:643]
{rank 0/100} MD step = 370900 step time: 00:00:00.020472 Performance: 312.662 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:35:59,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370900 37090 40.17 -39450 4402.7 -43853 -43853 -0.42966 0.76248 0.24567 1.8142e+05 2023-02-16 04:36:01,854 INFO [main.py:643]
{rank 0/100} MD step = 371000 step time: 00:00:00.020457 Performance: 312.665 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:02,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371000 37100 40.013 -39462 4385.4 -43848 -43848 -0.4298 0.76236 0.24508 1.8145e+05 2023-02-16 04:36:04,689 INFO [main.py:643]
{rank 0/100} MD step = 371100 step time: 00:00:00.020456 Performance: 312.663 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:05,417 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371100 37110 39.711 -39511 4352.3 -43863 -43863 -0.43042 0.76261 0.24536 1.8151e+05 2023-02-16 04:36:07,452 INFO [main.py:643]
{rank 0/100} MD step = 371200 step time: 00:00:00.020383 Performance: 312.663 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:07,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371200 37120 40.535 -39408 4442.7 -43851 -43851 -0.43111 0.7621 0.24517 1.8157e+05 2023-02-16 04:36:10,154 INFO [main.py:643]
{rank 0/100} MD step = 371300 step time: 00:00:00.020563 Performance: 312.665 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:10,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371300 37130 39.775 -39397 4359.4 -43756 -43756 -0.43154 0.76355 0.24481 1.8163e+05 2023-02-16 04:36:12,824 INFO [main.py:643]
{rank 0/100} MD step = 371400 step time: 00:00:00.020467 Performance: 312.668 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:13,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371400 37140 39.69 -39480 4350 -43830 -43830 -0.43116 0.76377 0.24413 1.8166e+05 2023-02-16 04:36:15,560 INFO [main.py:643]
{rank 0/100} MD step = 371500 step time: 00:00:00.020603 Performance: 312.668 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:16,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371500 37150 39.201 -39614 4296.5 -43910 -43910 -0.43 0.76341 0.24446 1.8172e+05 2023-02-16 04:36:18,247 INFO [main.py:643]
{rank 0/100} MD step = 371600 step time: 00:00:00.021814 Performance: 312.671 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:36:18,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371600 37160 40.026 -39427 4386.8 -43814 -43814 -0.43063 0.76331 0.24482 1.8175e+05 2023-02-16 04:36:20,938 INFO [main.py:643]
{rank 0/100} MD step = 371700 step time: 00:00:00.020530 Performance: 312.673 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:36:21,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371700 37170 39.733 -39489 4354.7 -43844 -43844 -0.4303 0.76343 0.24415 1.8181e+05 2023-02-16 04:36:24,167 INFO [main.py:643]
{rank 0/100} MD step = 371800 step time: 00:00:00.020364 Performance: 312.659 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:36:24,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371800 37180 40.208 -39417 4406.9 -43824 -43824 -0.43091 0.76431 0.2447 1.8187e+05 2023-02-16 04:36:26,882 INFO [main.py:643]
{rank 0/100} MD step = 371900 step time: 00:00:00.020274 Performance: 312.660 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:27,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371900 37190 39.766 -39488 4358.4 -43846 -43846 -0.42899 0.76446 0.24479 1.8192e+05 2023-02-16 04:36:29,606 INFO [main.py:643]
{rank 0/100} MD step = 372000 step time: 00:00:00.020504 Performance: 312.661 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:30,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372000 37200 40.015 -39375 4385.7 -43760 -43760 -0.42976 0.76494 0.24481 1.8196e+05 2023-02-16 04:36:32,365 INFO [main.py:643]
{rank 0/100} MD step = 372100 step time: 00:00:00.020416 Performance: 312.662 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:36:33,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372100 37210 40.475 -39460 4436.2 -43896 -43896 -0.42968 0.76568 0.24438 1.82e+05 2023-02-16 04:36:35,852 INFO [main.py:643]
{rank 0/100} MD step = 372200 step time: 00:00:00.020403 Performance: 312.640 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:36:36,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372200 37220 39.753 -39373 4357 -43730 -43730 -0.43033 0.76563 0.24401 1.8207e+05 2023-02-16 04:36:38,673 INFO [main.py:643]
{rank 0/100} MD step = 372300 step time: 00:00:00.021231 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:36:41,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372300 37230 39.299 -39511 4307.3 -43819 -43819 -0.42954 0.766 0.24423 1.8212e+05 2023-02-16 04:36:43,543 INFO [main.py:643]
{rank 0/100} MD step = 372400 step time: 00:00:00.020457 Performance: 312.574 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:36:44,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372400 37240 40.381 -39473 4425.8 -43899 -43899 -0.42896 0.76778 0.24405 1.8216e+05 2023-02-16 04:36:46,303 INFO [main.py:643]
{rank 0/100} MD step = 372500 step time: 00:00:00.020613 Performance: 312.574 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:36:46,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372500 37250 39.686 -39503 4349.6 -43853 -43853 -0.42978 0.76884 0.24442 1.8223e+05 2023-02-16 04:36:48,956 INFO [main.py:643]
{rank 0/100} MD step = 372600 step time: 00:00:00.020502 Performance: 312.577 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:36:49,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372600 37260 40.238 -39402 4410.1 -43812 -43812 -0.42991 0.76904 0.24361 1.8227e+05 2023-02-16 04:36:51,781 INFO [main.py:643]
{rank 0/100} MD step = 372700 step time: 00:00:00.020515 Performance: 312.575 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:36:52,414 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372700 37270 40.148 -39467 4400.2 -43867 -43867 -0.42919 0.76905 0.24338 1.8231e+05 2023-02-16 04:36:54,449 INFO [main.py:643]
{rank 0/100} MD step = 372800 step time: 00:00:00.020523 Performance: 312.578 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:36:55,114 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372800 37280 39.588 -39541 4338.9 -43880 -43880 -0.43034 0.76917 0.24434 1.8236e+05 2023-02-16 04:36:57,166 INFO [main.py:643]
{rank 0/100} MD step = 372900 step time: 00:00:00.020319 Performance: 312.580 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:36:57,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372900 37290 40.2 -39431 4405.9 -43837 -43837 -0.42867 0.77002 0.24443 1.8241e+05 2023-02-16 04:36:59,848 INFO [main.py:643]
{rank 0/100} MD step = 373000 step time: 00:00:00.020752 Performance: 312.582 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:37:00,227 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373000 37300 39.458 -39553 4324.7 -43877 -43877 -0.42746 0.7685 0.24376 1.8248e+05 2023-02-16 04:37:02,499 INFO [main.py:643]
{rank 0/100} MD step = 373100 step time: 00:00:00.020574 Performance: 312.586 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:37:03,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373100 37310 40.178 -39436 4403.6 -43840 -43840 -0.42795 0.76806 0.24413 1.8251e+05 2023-02-16 04:37:05,145 INFO [main.py:643]
{rank 0/100} MD step = 373200 step time: 00:00:00.020563 Performance: 312.589 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:37:05,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373200 37320 39.463 -39590 4325.2 -43915 -43915 -0.42728 0.76804 0.24365 1.8257e+05 2023-02-16 04:37:07,982 INFO [main.py:643]
{rank 0/100} MD step = 373300 step time: 00:00:00.020328 Performance: 312.587 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:37:08,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373300 37330 39.975 -39386 4381.3 -43767 -43767 -0.42775 0.76846 0.24326 1.8264e+05 2023-02-16 04:37:10,710 INFO [main.py:643]
{rank 0/100} MD step = 373400 step time: 00:00:00.020554 Performance: 312.588 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:37:11,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373400 37340 40.032 -39397 4387.5 -43784 -43784 -0.42693 0.76901 0.24356 1.8269e+05 2023-02-16 04:37:13,491 INFO [main.py:643]
{rank 0/100} MD step = 373500 step time: 00:00:00.020518 Performance: 312.588 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:37:14,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373500 37350 39.525 -39479 4332 -43811 -43811 -0.42731 0.77079 0.24327 1.8274e+05 2023-02-16 04:37:16,125 INFO [main.py:643]
{rank 0/100} MD step = 373600 step time: 00:00:00.020622 Performance: 312.592 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:37:16,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373600 37360 40.028 -39439 4387.1 -43826 -43826 -0.42768 0.77091 0.24355 1.8279e+05 2023-02-16 04:37:18,888 INFO [main.py:643]
{rank 0/100} MD step = 373700 step time: 00:00:00.020464 Performance: 312.592 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:37:19,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373700 37370 39.918 -39450 4375 -43825 -43825 -0.42737 0.77083 0.24297 1.8284e+05 2023-02-16 04:37:21,605 INFO [main.py:643]
{rank 0/100} MD step = 373800 step time: 00:00:00.020529 Performance: 312.593 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:37:22,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373800 37380 39.746 -39514 4356.2 -43870 -43870 -0.42711 0.77098 0.24297 1.829e+05 2023-02-16 04:37:24,288 INFO [main.py:643]
{rank 0/100} MD step = 373900 step time: 00:00:00.020620 Performance: 312.595 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:37:24,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373900 37390 39.847 -39510 4367.3 -43878 -43878 -0.42817 0.77104 0.24367 1.8293e+05 2023-02-16 04:37:26,998 INFO [main.py:643]
{rank 0/100} MD step = 374000 step time: 00:00:00.020826 Performance: 312.597 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:37:27,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374000 37400 40.598 -39407 4449.6 -43856 -43856 -0.42862 0.77088 0.24419 1.8299e+05 2023-02-16 04:37:29,766 INFO [main.py:643]
{rank 0/100} MD step = 374100 step time: 00:00:00.020484 Performance: 312.597 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:37:30,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374100 37410 39.755 -39531 4357.2 -43888 -43888 -0.42879 0.77145 0.2437 1.8304e+05 2023-02-16 04:37:32,458 INFO [main.py:643]
{rank 0/100} MD step = 374200 step time: 00:00:00.020413 Performance: 312.599 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:37:33,120 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374200 37420 39.881 -39450 4371 -43821 -43821 -0.42853 0.77239 0.24332 1.8308e+05 2023-02-16 04:37:35,165 INFO [main.py:643]
{rank 0/100} MD step = 374300 step time: 00:00:00.020761 Performance: 312.601 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:35,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374300 37430 39.807 -39442 4362.9 -43805 -43805 -0.42824 0.77243 0.24339 1.8314e+05 2023-02-16 04:37:37,930 INFO [main.py:643]
{rank 0/100} MD step = 374400 step time: 00:00:00.020389 Performance: 312.601 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:38,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374400 37440 40.359 -39358 4423.4 -43782 -43782 -0.42861 0.77242 0.24363 1.8321e+05 2023-02-16 04:37:40,711 INFO [main.py:643]
{rank 0/100} MD step = 374500 step time: 00:00:00.020360 Performance: 312.600 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:41,216 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374500 37450 40.18 -39442 4403.8 -43846 -43846 -0.42882 0.77272 0.24516 1.8325e+05 2023-02-16 04:37:43,435 INFO [main.py:643]
{rank 0/100} MD step = 374600 step time: 00:00:00.020542 Performance: 312.602 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:44,043 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374600 37460 39.634 -39491 4343.9 -43835 -43835 -0.42837 0.773 0.24539 1.8329e+05 2023-02-16 04:37:46,263 INFO [main.py:643]
{rank 0/100} MD step = 374700 step time: 00:00:00.020560 Performance: 312.600 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:46,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374700 37470 40.055 -39443 4390.1 -43833 -43833 -0.42918 0.7733 0.24537 1.8334e+05 2023-02-16 04:37:48,987 INFO [main.py:643]
{rank 0/100} MD step = 374800 step time: 00:00:00.020329 Performance: 312.601 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:49,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374800 37480 40.261 -39461 4412.7 -43874 -43874 -0.42973 0.77435 0.24499 1.8339e+05 2023-02-16 04:37:51,669 INFO [main.py:643]
{rank 0/100} MD step = 374900 step time: 00:00:00.020597 Performance: 312.603 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:52,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374900 37490 40.286 -39400 4415.4 -43815 -43815 -0.43007 0.77476 0.24504 1.8344e+05 2023-02-16 04:37:54,390 INFO [main.py:643]
{rank 0/100} MD step = 375000 step time: 00:00:00.020578 Performance: 312.605 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:55,092 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375000 37500 39.988 -39490 4382.8 -43872 -43872 -0.42963 0.77441 0.24574 1.8347e+05 2023-02-16 04:37:57,241 INFO [main.py:643]
{rank 0/100} MD step = 375100 step time: 00:00:00.020627 Performance: 312.602 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:37:57,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375100 37510 39.695 -39459 4350.7 -43809 -43809 -0.43088 0.77486 0.24569 1.8354e+05 2023-02-16 04:37:59,979 INFO [main.py:643]
{rank 0/100} MD step = 375200 step time: 00:00:00.020588 Performance: 312.603 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:38:00,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375200 37520 39.897 -39477 4372.8 -43850 -43850 -0.42983 0.7762 0.2455 1.8358e+05 2023-02-16 04:38:02,691 INFO [main.py:643]
{rank 0/100} MD step = 375300 step time: 00:00:00.021203 Performance: 312.604 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:38:03,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375300 37530 39.796 -39498 4361.7 -43859 -43859 -0.42943 0.77627 0.24548 1.8363e+05 2023-02-16 04:38:05,347 INFO [main.py:643]
{rank 0/100} MD step = 375400 step time: 00:00:00.020515 Performance: 312.608 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:38:06,039 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375400 37540 40.502 -39362 4439.1 -43801 -43801 -0.42951 0.77752 0.24583 1.8367e+05 2023-02-16 04:38:08,073 INFO [main.py:643]
{rank 0/100} MD step = 375500 step time: 00:00:00.020410 Performance: 312.609 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:38:08,684 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375500 37550 40.35 -39446 4422.4 -43868 -43868 -0.43143 0.77798 0.24452 1.8373e+05 2023-02-16 04:38:10,879 INFO [main.py:643]
{rank 0/100} MD step = 375600 step time: 00:00:00.020456 Performance: 312.607 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:38:11,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375600 37560 40.177 -39448 4403.4 -43851 -43851 -0.42992 0.77789 0.24402 1.8377e+05 2023-02-16 04:38:13,606 INFO [main.py:643]
{rank 0/100} MD step = 375700 step time: 00:00:00.020559 Performance: 312.609 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:38:14,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375700 37570 39.829 -39463 4365.3 -43828 -43828 -0.43137 0.77878 0.2447 1.8384e+05 2023-02-16 04:38:16,315 INFO [main.py:643]
{rank 0/100} MD step = 375800 step time: 00:00:00.020552 Performance: 312.610 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:38:17,252 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375800 37580 39.335 -39586 4311.2 -43898 -43898 -0.4304 0.77909 0.24417 1.8387e+05 2023-02-16 04:38:19,307 INFO [main.py:643]
{rank 0/100} MD step = 375900 step time: 00:00:00.021349 Performance: 312.603 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:38:20,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375900 37590 40.486 -39379 4437.3 -43816 -43816 -0.4295 0.77937 0.24453 1.8393e+05 2023-02-16 04:38:22,195 INFO [main.py:643]
{rank 0/100} MD step = 376000 step time: 00:00:00.020502 Performance: 312.600 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:38:22,869 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376000 37600 39.391 -39549 4317.3 -43866 -43866 -0.42985 0.77924 0.24491 1.8398e+05 2023-02-16 04:38:24,916 INFO [main.py:643]
{rank 0/100} MD step = 376100 step time: 00:00:00.020512 Performance: 312.601 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:38:25,698 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376100 37610 39.746 -39537 4356.2 -43894 -43894 -0.4294 0.78018 0.24539 1.8402e+05 2023-02-16 04:38:27,743 INFO [main.py:643]
{rank 0/100} MD step = 376200 step time: 00:00:00.020442 Performance: 312.599 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:28,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376200 37620 39.97 -39487 4380.8 -43867 -43867 -0.43054 0.78058 0.24483 1.8406e+05 2023-02-16 04:38:30,786 INFO [main.py:643]
{rank 0/100} MD step = 376300 step time: 00:00:00.020534 Performance: 312.591 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:38:31,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376300 37630 40.063 -39410 4391 -43801 -43801 -0.42944 0.78172 0.24558 1.8412e+05 2023-02-16 04:38:33,448 INFO [main.py:643]
{rank 0/100} MD step = 376400 step time: 00:00:00.020483 Performance: 312.594 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:34,114 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376400 37640 40.444 -39415 4432.7 -43848 -43848 -0.43138 0.78216 0.2459 1.8417e+05 2023-02-16 04:38:36,160 INFO [main.py:643]
{rank 0/100} MD step = 376500 step time: 00:00:00.020656 Performance: 312.595 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:36,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376500 37650 40.036 -39462 4388 -43850 -43850 -0.43221 0.78227 0.2454 1.8421e+05 2023-02-16 04:38:38,859 INFO [main.py:643]
{rank 0/100} MD step = 376600 step time: 00:00:00.020449 Performance: 312.597 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:39,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376600 37660 39.967 -39528 4380.4 -43908 -43908 -0.4326 0.78275 0.24588 1.8425e+05 2023-02-16 04:38:41,629 INFO [main.py:643]
{rank 0/100} MD step = 376700 step time: 00:00:00.020485 Performance: 312.597 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:42,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376700 37670 40.167 -39419 4402.3 -43821 -43821 -0.43349 0.78268 0.2463 1.843e+05 2023-02-16 04:38:44,333 INFO [main.py:643]
{rank 0/100} MD step = 376800 step time: 00:00:00.020515 Performance: 312.599 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:45,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376800 37680 40.437 -39466 4431.9 -43898 -43898 -0.432 0.78252 0.2454 1.8435e+05 2023-02-16 04:38:47,140 INFO [main.py:643]
{rank 0/100} MD step = 376900 step time: 00:00:00.020443 Performance: 312.597 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:47,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376900 37690 39.607 -39529 4341 -43870 -43870 -0.43226 0.78225 0.24489 1.844e+05 2023-02-16 04:38:49,883 INFO [main.py:643]
{rank 0/100} MD step = 377000 step time: 00:00:00.020486 Performance: 312.598 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:50,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377000 37700 40.021 -39451 4386.4 -43838 -43838 -0.43131 0.78282 0.2447 1.8445e+05 2023-02-16 04:38:52,714 INFO [main.py:643]
{rank 0/100} MD step = 377100 step time: 00:00:00.020624 Performance: 312.596 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:53,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377100 37710 39.745 -39447 4356.1 -43803 -43803 -0.4322 0.78225 0.24491 1.8451e+05 2023-02-16 04:38:55,378 INFO [main.py:643]
{rank 0/100} MD step = 377200 step time: 00:00:00.020365 Performance: 312.599 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:56,143 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377200 37720 40.409 -39451 4428.8 -43880 -43880 -0.43137 0.78239 0.24512 1.8456e+05 2023-02-16 04:38:58,192 INFO [main.py:643]
{rank 0/100} MD step = 377300 step time: 00:00:00.021887 Performance: 312.598 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:38:58,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377300 37730 39.912 -39389 4374.4 -43763 -43763 -0.43148 0.78266 0.24545 1.846e+05 2023-02-16 04:39:00,960 INFO [main.py:643]
{rank 0/100} MD step = 377400 step time: 00:00:00.020473 Performance: 312.597 ns/day 0.077 hours/ns 36.180 steps/s 2023-02-16 04:39:01,590 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377400 37740 40.312 -39416 4418.2 -43834 -43834 -0.43301 0.7826 0.24519 1.8463e+05 2023-02-16 04:39:03,647 INFO [main.py:643]
{rank 0/100} MD step = 377500 step time: 00:00:00.020572 Performance: 312.600 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:04,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377500 37750 39.448 -39481 4323.5 -43805 -43805 -0.43318 0.7829 0.24504 1.8469e+05 2023-02-16 04:39:06,370 INFO [main.py:643]
{rank 0/100} MD step = 377600 step time: 00:00:00.020496 Performance: 312.601 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:06,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377600 37760 39.936 -39471 4377 -43848 -43848 -0.43178 0.7833 0.24441 1.8475e+05 2023-02-16 04:39:09,052 INFO [main.py:643]
{rank 0/100} MD step = 377700 step time: 00:00:00.020643 Performance: 312.603 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:09,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377700 37770 40.026 -39464 4386.9 -43851 -43851 -0.43449 0.7833 0.24328 1.8478e+05 2023-02-16 04:39:11,766 INFO [main.py:643]
{rank 0/100} MD step = 377800 step time: 00:00:00.020569 Performance: 312.605 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:12,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377800 37780 40.442 -39348 4432.5 -43781 -43781 -0.43503 0.78343 0.2434 1.8483e+05 2023-02-16 04:39:14,486 INFO [main.py:643]
{rank 0/100} MD step = 377900 step time: 00:00:00.020472 Performance: 312.606 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:15,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377900 37790 40.189 -39416 4404.8 -43821 -43821 -0.43507 0.78277 0.24451 1.8489e+05 2023-02-16 04:39:17,282 INFO [main.py:643]
{rank 0/100} MD step = 378000 step time: 00:00:00.020437 Performance: 312.605 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:17,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378000 37800 39.975 -39508 4381.3 -43890 -43890 -0.43564 0.7825 0.2454 1.8491e+05 2023-02-16 04:39:20,025 INFO [main.py:643]
{rank 0/100} MD step = 378100 step time: 00:00:00.020501 Performance: 312.606 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:20,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378100 37810 39.318 -39479 4309.3 -43788 -43788 -0.43464 0.78277 0.24551 1.8497e+05 2023-02-16 04:39:22,751 INFO [main.py:643]
{rank 0/100} MD step = 378200 step time: 00:00:00.020583 Performance: 312.607 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:23,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378200 37820 40.099 -39382 4394.9 -43777 -43777 -0.43406 0.78324 0.24487 1.8502e+05 2023-02-16 04:39:25,595 INFO [main.py:643]
{rank 0/100} MD step = 378300 step time: 00:00:00.020602 Performance: 312.605 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:26,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378300 37830 40.239 -39431 4410.3 -43841 -43841 -0.43236 0.78303 0.24527 1.8509e+05 2023-02-16 04:39:28,365 INFO [main.py:643]
{rank 0/100} MD step = 378400 step time: 00:00:00.021743 Performance: 312.605 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:29,008 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378400 37840 39.807 -39448 4362.9 -43811 -43811 -0.43319 0.78371 0.24443 1.8513e+05 2023-02-16 04:39:31,046 INFO [main.py:643]
{rank 0/100} MD step = 378500 step time: 00:00:00.020629 Performance: 312.607 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:31,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378500 37850 39.808 -39488 4363 -43851 -43851 -0.43454 0.7845 0.24435 1.8519e+05 2023-02-16 04:39:33,734 INFO [main.py:643]
{rank 0/100} MD step = 378600 step time: 00:00:00.020559 Performance: 312.609 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:39:34,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378600 37860 39.913 -39490 4374.5 -43865 -43865 -0.43479 0.78477 0.24423 1.8523e+05 2023-02-16 04:39:36,429 INFO [main.py:643]
{rank 0/100} MD step = 378700 step time: 00:00:00.020537 Performance: 312.611 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:39:37,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378700 37870 40.06 -39455 4390.6 -43846 -43846 -0.43381 0.78482 0.24398 1.8529e+05 2023-02-16 04:39:39,115 INFO [main.py:643]
{rank 0/100} MD step = 378800 step time: 00:00:00.020582 Performance: 312.614 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:39:39,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378800 37880 39.893 -39432 4372.3 -43805 -43805 -0.4346 0.78531 0.24398 1.8533e+05 2023-02-16 04:39:42,120 INFO [main.py:643]
{rank 0/100} MD step = 378900 step time: 00:00:00.020571 Performance: 312.606 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:42,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378900 37890 39.938 -39569 4377.3 -43946 -43946 -0.43469 0.78491 0.24399 1.8537e+05 2023-02-16 04:39:44,805 INFO [main.py:643]
{rank 0/100} MD step = 379000 step time: 00:00:00.020497 Performance: 312.609 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:39:45,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379000 37900 39.803 -39428 4362.4 -43791 -43791 -0.43286 0.78463 0.24508 1.8543e+05 2023-02-16 04:39:47,676 INFO [main.py:643]
{rank 0/100} MD step = 379100 step time: 00:00:00.020496 Performance: 312.606 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:48,308 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379100 37910 40.233 -39407 4409.6 -43816 -43816 -0.43349 0.78562 0.24519 1.8547e+05 2023-02-16 04:39:50,401 INFO [main.py:643]
{rank 0/100} MD step = 379200 step time: 00:00:00.020394 Performance: 312.607 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:39:51,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379200 37920 40.39 -39355 4426.7 -43782 -43782 -0.43397 0.78581 0.24395 1.8552e+05 2023-02-16 04:39:53,081 INFO [main.py:643]
{rank 0/100} MD step = 379300 step time: 00:00:00.020449 Performance: 312.609 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:39:53,648 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379300 37930 40.138 -39446 4399.1 -43845 -43845 -0.4341 0.78603 0.24424 1.8556e+05 2023-02-16 04:39:55,695 INFO [main.py:643]
{rank 0/100} MD step = 379400 step time: 00:00:00.020784 Performance: 312.614 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:39:56,387 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379400 37940 39.901 -39494 4373.1 -43867 -43867 -0.43455 0.78662 0.24407 1.856e+05 2023-02-16 04:39:58,439 INFO [main.py:643]
{rank 0/100} MD step = 379500 step time: 00:00:00.020958 Performance: 312.614 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:39:59,066 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379500 37950 39.62 -39462 4342.4 -43805 -43805 -0.43343 0.78692 0.24399 1.8565e+05 2023-02-16 04:40:01,177 INFO [main.py:643]
{rank 0/100} MD step = 379600 step time: 00:00:00.020383 Performance: 312.615 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:01,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379600 37960 39.687 -39522 4349.8 -43872 -43872 -0.43393 0.78767 0.24375 1.8569e+05 2023-02-16 04:40:03,909 INFO [main.py:643]
{rank 0/100} MD step = 379700 step time: 00:00:00.020517 Performance: 312.616 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:04,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379700 37970 40.023 -39454 4386.6 -43840 -43840 -0.43653 0.78808 0.24509 1.8576e+05 2023-02-16 04:40:06,750 INFO [main.py:643]
{rank 0/100} MD step = 379800 step time: 00:00:00.020347 Performance: 312.614 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:07,398 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379800 37980 40.094 -39367 4394.3 -43762 -43762 -0.43729 0.78833 0.24558 1.8582e+05 2023-02-16 04:40:09,465 INFO [main.py:643]
{rank 0/100} MD step = 379900 step time: 00:00:00.020667 Performance: 312.615 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:10,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379900 37990 40.484 -39413 4437.1 -43850 -43850 -0.43687 0.78805 0.24655 1.8586e+05 2023-02-16 04:40:12,231 INFO [main.py:643]
{rank 0/100} MD step = 380000 step time: 00:00:00.020558 Performance: 312.615 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:12,919 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380000 38000 39.674 -39497 4348.3 -43845 -43845 -0.43604 0.78814 0.24889 1.8592e+05 2023-02-16 04:40:15,034 INFO [main.py:643]
{rank 0/100} MD step = 380100 step time: 00:00:00.020690 Performance: 312.614 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:15,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380100 38010 40.055 -39479 4390.1 -43869 -43869 -0.43581 0.78924 0.24874 1.8596e+05 2023-02-16 04:40:17,905 INFO [main.py:643]
{rank 0/100} MD step = 380200 step time: 00:00:00.020463 Performance: 312.611 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:18,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380200 38020 40.27 -39447 4413.6 -43860 -43860 -0.435 0.78978 0.24882 1.86e+05 2023-02-16 04:40:20,602 INFO [main.py:643]
{rank 0/100} MD step = 380300 step time: 00:00:00.020412 Performance: 312.613 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:21,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380300 38030 40.404 -39405 4428.3 -43833 -43833 -0.43522 0.78945 0.249 1.8607e+05 2023-02-16 04:40:23,270 INFO [main.py:643]
{rank 0/100} MD step = 380400 step time: 00:00:00.020595 Performance: 312.616 ns/day 0.077 hours/ns 36.182 steps/s 2023-02-16 04:40:23,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380400 38040 40.304 -39458 4417.4 -43875 -43875 -0.43567 0.78894 0.24873 1.8612e+05 2023-02-16 04:40:25,946 INFO [main.py:643]
{rank 0/100} MD step = 380500 step time: 00:00:00.020544 Performance: 312.618 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:40:26,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380500 38050 39.843 -39514 4366.9 -43881 -43881 -0.43614 0.78928 0.2482 1.8617e+05 2023-02-16 04:40:28,652 INFO [main.py:643]
{rank 0/100} MD step = 380600 step time: 00:00:00.020438 Performance: 312.620 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:40:29,364 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380600 38060 40.262 -39393 4412.7 -43806 -43806 -0.43445 0.79119 0.24799 1.8622e+05 2023-02-16 04:40:31,397 INFO [main.py:643]
{rank 0/100} MD step = 380700 step time: 00:00:00.020436 Performance: 312.620 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:40:31,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380700 38070 39.312 -39506 4308.6 -43814 -43814 -0.43561 0.79213 0.24903 1.8626e+05 2023-02-16 04:40:34,093 INFO [main.py:643]
{rank 0/100} MD step = 380800 step time: 00:00:00.020461 Performance: 312.622 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:40:34,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380800 38080 39.81 -39473 4363.2 -43836 -43836 -0.4358 0.79237 0.24895 1.8629e+05 2023-02-16 04:40:36,895 INFO [main.py:643]
{rank 0/100} MD step = 380900 step time: 00:00:00.020483 Performance: 312.621 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:40:37,581 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380900 38090 39.704 -39469 4351.6 -43821 -43821 -0.43503 0.79136 0.24893 1.8635e+05 2023-02-16 04:40:39,629 INFO [main.py:643]
{rank 0/100} MD step = 381000 step time: 00:00:00.020446 Performance: 312.622 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:40:40,287 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381000 38100 39.6 -39459 4340.2 -43799 -43799 -0.43511 0.79139 0.25002 1.864e+05 2023-02-16 04:40:42,406 INFO [main.py:643]
{rank 0/100} MD step = 381100 step time: 00:00:00.020612 Performance: 312.622 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:40:42,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381100 38110 39.619 -39513 4342.3 -43855 -43855 -0.43496 0.79137 0.24946 1.8645e+05 2023-02-16 04:40:45,129 INFO [main.py:643]
{rank 0/100} MD step = 381200 step time: 00:00:00.020534 Performance: 312.623 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:40:45,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381200 38120 39.811 -39584 4363.3 -43947 -43947 -0.43662 0.7914 0.24975 1.865e+05 2023-02-16 04:40:47,769 INFO [main.py:643]
{rank 0/100} MD step = 381300 step time: 00:00:00.020617 Performance: 312.627 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:40:48,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381300 38130 40.088 -39411 4393.7 -43805 -43805 -0.43702 0.79174 0.24862 1.8656e+05 2023-02-16 04:40:50,571 INFO [main.py:643]
{rank 0/100} MD step = 381400 step time: 00:00:00.020348 Performance: 312.626 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:40:50,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381400 38140 40.582 -39365 4447.8 -43812 -43812 -0.43871 0.79144 0.24879 1.8661e+05 2023-02-16 04:40:53,249 INFO [main.py:643]
{rank 0/100} MD step = 381500 step time: 00:00:00.020361 Performance: 312.628 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:40:53,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381500 38150 39.909 -39386 4374.1 -43760 -43760 -0.43923 0.79149 0.24845 1.8667e+05 2023-02-16 04:40:55,925 INFO [main.py:643]
{rank 0/100} MD step = 381600 step time: 00:00:00.020394 Performance: 312.631 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:40:56,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381600 38160 40.297 -39390 4416.6 -43806 -43806 -0.43852 0.79155 0.24967 1.8671e+05 2023-02-16 04:40:58,660 INFO [main.py:643]
{rank 0/100} MD step = 381700 step time: 00:00:00.020440 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:40:59,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381700 38170 39.993 -39376 4383.2 -43759 -43759 -0.43866 0.79204 0.2506 1.8677e+05 2023-02-16 04:41:01,377 INFO [main.py:643]
{rank 0/100} MD step = 381800 step time: 00:00:00.020442 Performance: 312.633 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:41:01,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381800 38180 39.948 -39398 4378.3 -43777 -43777 -0.43833 0.79284 0.25035 1.8681e+05 2023-02-16 04:41:04,094 INFO [main.py:643]
{rank 0/100} MD step = 381900 step time: 00:00:00.020636 Performance: 312.634 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:41:04,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381900 38190 39.993 -39457 4383.2 -43840 -43840 -0.43808 0.79252 0.25073 1.8686e+05 2023-02-16 04:41:07,161 INFO [main.py:643]
{rank 0/100} MD step = 382000 step time: 00:00:00.020574 Performance: 312.625 ns/day 0.077 hours/ns 36.183 steps/s 2023-02-16 04:41:07,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382000 38200 40.151 -39405 4400.6 -43805 -43805 -0.43816 0.79297 0.25104 1.869e+05 2023-02-16 04:41:09,885 INFO [main.py:643]
{rank 0/100} MD step = 382100 step time: 00:00:00.020797 Performance: 312.626 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:41:10,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382100 38210 40.042 -39419 4388.7 -43808 -43808 -0.4394 0.79309 0.25158 1.8695e+05 2023-02-16 04:41:12,659 INFO [main.py:643]
{rank 0/100} MD step = 382200 step time: 00:00:00.020361 Performance: 312.626 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:41:13,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382200 38220 39.53 -39457 4332.5 -43789 -43789 -0.43902 0.7934 0.25172 1.8699e+05 2023-02-16 04:41:15,338 INFO [main.py:643]
{rank 0/100} MD step = 382300 step time: 00:00:00.021204 Performance: 312.629 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:41:16,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382300 38230 40.485 -39354 4437.2 -43791 -43791 -0.43924 0.79363 0.25169 1.8703e+05 2023-02-16 04:41:18,070 INFO [main.py:643]
{rank 0/100} MD step = 382400 step time: 00:00:00.020558 Performance: 312.630 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:41:18,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382400 38240 40.502 -39407 4439 -43846 -43846 -0.43965 0.79507 0.25181 1.8706e+05 2023-02-16 04:41:20,777 INFO [main.py:643]
{rank 0/100} MD step = 382500 step time: 00:00:00.020594 Performance: 312.631 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:41:21,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382500 38250 39.486 -39460 4327.7 -43788 -43788 -0.43961 0.79392 0.2513 1.8712e+05 2023-02-16 04:41:23,525 INFO [main.py:643]
{rank 0/100} MD step = 382600 step time: 00:00:00.020559 Performance: 312.632 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:41:24,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382600 38260 39.948 -39476 4378.4 -43855 -43855 -0.44085 0.79422 0.25085 1.8716e+05 2023-02-16 04:41:26,215 INFO [main.py:643]
{rank 0/100} MD step = 382700 step time: 00:00:00.020536 Performance: 312.634 ns/day 0.077 hours/ns 36.184 steps/s 2023-02-16 04:41:26,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382700 38270 39.584 -39530 4338.4 -43869 -43869 -0.44145 0.79449 0.2496 1.8721e+05 2023-02-16 04:41:28,920 INFO [main.py:643]
{rank 0/100} MD step = 382800 step time: 00:00:00.020564 Performance: 312.636 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:41:29,581 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382800 38280 40.143 -39471 4399.7 -43871 -43871 -0.44002 0.79399 0.24884 1.8725e+05 2023-02-16 04:41:31,611 INFO [main.py:643]
{rank 0/100} MD step = 382900 step time: 00:00:00.020468 Performance: 312.638 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:41:32,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382900 38290 40.268 -39499 4413.4 -43912 -43912 -0.43972 0.79363 0.24882 1.8731e+05 2023-02-16 04:41:34,346 INFO [main.py:643]
{rank 0/100} MD step = 383000 step time: 00:00:00.020539 Performance: 312.639 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:41:35,073 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383000 38300 40.266 -39425 4413.2 -43838 -43838 -0.43966 0.79364 0.24925 1.8736e+05 2023-02-16 04:41:37,106 INFO [main.py:643]
{rank 0/100} MD step = 383100 step time: 00:00:00.020714 Performance: 312.639 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:41:37,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383100 38310 39.502 -39456 4329.4 -43786 -43786 -0.43976 0.79324 0.24927 1.8742e+05 2023-02-16 04:41:39,838 INFO [main.py:643]
{rank 0/100} MD step = 383200 step time: 00:00:00.020454 Performance: 312.640 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:41:40,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383200 38320 40.103 -39466 4395.3 -43862 -43862 -0.4386 0.79389 0.24935 1.8747e+05 2023-02-16 04:41:42,580 INFO [main.py:643]
{rank 0/100} MD step = 383300 step time: 00:00:00.020606 Performance: 312.640 ns/day 0.077 hours/ns 36.185 steps/s 2023-02-16 04:41:43,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383300 38330 39.706 -39416 4351.8 -43767 -43767 -0.43981 0.79419 0.24938 1.8752e+05 2023-02-16 04:41:45,252 INFO [main.py:643]
{rank 0/100} MD step = 383400 step time: 00:00:00.020522 Performance: 312.643 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:41:45,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383400 38340 39.778 -39414 4359.7 -43774 -43774 -0.43934 0.79489 0.24973 1.8757e+05 2023-02-16 04:41:47,990 INFO [main.py:643]
{rank 0/100} MD step = 383500 step time: 00:00:00.020545 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:41:48,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383500 38350 40.332 -39306 4420.4 -43727 -43727 -0.43783 0.79601 0.24871 1.8762e+05 2023-02-16 04:41:50,751 INFO [main.py:643]
{rank 0/100} MD step = 383600 step time: 00:00:00.020490 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:41:51,170 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383600 38360 39.605 -39522 4340.8 -43862 -43862 -0.43762 0.79587 0.24855 1.8765e+05 2023-02-16 04:41:53,508 INFO [main.py:643]
{rank 0/100} MD step = 383700 step time: 00:00:00.020480 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:41:54,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383700 38370 40.327 -39386 4419.9 -43806 -43806 -0.43727 0.79576 0.2491 1.8771e+05 2023-02-16 04:41:56,206 INFO [main.py:643]
{rank 0/100} MD step = 383800 step time: 00:00:00.020504 Performance: 312.646 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:41:56,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383800 38380 39.519 -39501 4331.3 -43832 -43832 -0.43774 0.79668 0.24905 1.8776e+05 2023-02-16 04:41:58,937 INFO [main.py:643]
{rank 0/100} MD step = 383900 step time: 00:00:00.020437 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:41:59,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383900 38390 39.901 -39534 4373.2 -43907 -43907 -0.43698 0.79647 0.24919 1.878e+05 2023-02-16 04:42:01,666 INFO [main.py:643]
{rank 0/100} MD step = 384000 step time: 00:00:00.020548 Performance: 312.648 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:02,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384000 38400 39.953 -39351 4378.9 -43730 -43730 -0.43713 0.79763 0.24794 1.8786e+05 2023-02-16 04:42:04,385 INFO [main.py:643]
{rank 0/100} MD step = 384100 step time: 00:00:00.020513 Performance: 312.649 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:05,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384100 38410 39.878 -39489 4370.7 -43860 -43860 -0.43854 0.79698 0.24836 1.8791e+05 2023-02-16 04:42:07,186 INFO [main.py:643]
{rank 0/100} MD step = 384200 step time: 00:00:00.020538 Performance: 312.648 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:07,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384200 38420 40.57 -39462 4446.6 -43908 -43908 -0.44099 0.79753 0.24885 1.8796e+05 2023-02-16 04:42:09,927 INFO [main.py:643]
{rank 0/100} MD step = 384300 step time: 00:00:00.020494 Performance: 312.649 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:10,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384300 38430 40.079 -39427 4392.7 -43820 -43820 -0.44077 0.79803 0.24832 1.8799e+05 2023-02-16 04:42:12,684 INFO [main.py:643]
{rank 0/100} MD step = 384400 step time: 00:00:00.020419 Performance: 312.649 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:13,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384400 38440 39.95 -39447 4378.5 -43826 -43826 -0.44113 0.79762 0.24809 1.8804e+05 2023-02-16 04:42:15,516 INFO [main.py:643]
{rank 0/100} MD step = 384500 step time: 00:00:00.020417 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:16,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384500 38450 40.025 -39417 4386.8 -43804 -43804 -0.44105 0.79766 0.24859 1.8812e+05 2023-02-16 04:42:18,394 INFO [main.py:643]
{rank 0/100} MD step = 384600 step time: 00:00:00.021632 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:19,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384600 38460 39.938 -39440 4377.3 -43817 -43817 -0.43936 0.7975 0.24825 1.8816e+05 2023-02-16 04:42:21,160 INFO [main.py:643]
{rank 0/100} MD step = 384700 step time: 00:00:00.020369 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:21,861 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384700 38470 39.691 -39462 4350.2 -43812 -43812 -0.43938 0.79825 0.24819 1.8821e+05 2023-02-16 04:42:23,896 INFO [main.py:643]
{rank 0/100} MD step = 384800 step time: 00:00:00.020447 Performance: 312.644 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:24,530 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384800 38480 39.581 -39499 4338.1 -43837 -43837 -0.43995 0.79885 0.24805 1.8827e+05 2023-02-16 04:42:26,578 INFO [main.py:643]
{rank 0/100} MD step = 384900 step time: 00:00:00.020471 Performance: 312.647 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:27,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384900 38490 39.732 -39476 4354.7 -43831 -43831 -0.43964 0.79884 0.2486 1.8831e+05 2023-02-16 04:42:29,239 INFO [main.py:643]
{rank 0/100} MD step = 385000 step time: 00:00:00.020429 Performance: 312.650 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:29,872 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385000 38500 39.922 -39491 4375.5 -43866 -43866 -0.43844 0.79947 0.24977 1.8837e+05 2023-02-16 04:42:31,967 INFO [main.py:643]
{rank 0/100} MD step = 385100 step time: 00:00:00.020546 Performance: 312.651 ns/day 0.077 hours/ns 36.186 steps/s 2023-02-16 04:42:32,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385100 38510 39.464 -39486 4325.3 -43812 -43812 -0.43839 0.80005 0.24992 1.8842e+05 2023-02-16 04:42:34,627 INFO [main.py:643]
{rank 0/100} MD step = 385200 step time: 00:00:00.020386 Performance: 312.654 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:42:35,228 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385200 38520 40.461 -39474 4434.6 -43909 -43909 -0.43771 0.8006 0.24895 1.8847e+05 2023-02-16 04:42:37,356 INFO [main.py:643]
{rank 0/100} MD step = 385300 step time: 00:00:00.020366 Performance: 312.655 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:42:38,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385300 38530 40.292 -39415 4416.1 -43831 -43831 -0.43775 0.80123 0.24778 1.8851e+05 2023-02-16 04:42:40,173 INFO [main.py:643]
{rank 0/100} MD step = 385400 step time: 00:00:00.020406 Performance: 312.653 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:42:40,869 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385400 38540 40.237 -39485 4410.1 -43895 -43895 -0.43921 0.80031 0.247 1.8856e+05 2023-02-16 04:42:42,902 INFO [main.py:643]
{rank 0/100} MD step = 385500 step time: 00:00:00.020523 Performance: 312.654 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:42:43,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385500 38550 40.204 -39485 4406.4 -43892 -43892 -0.4396 0.79963 0.24676 1.8861e+05 2023-02-16 04:42:45,670 INFO [main.py:643]
{rank 0/100} MD step = 385600 step time: 00:00:00.020435 Performance: 312.654 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:42:46,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385600 38560 39.733 -39415 4354.8 -43770 -43770 -0.43845 0.7997 0.24809 1.8867e+05 2023-02-16 04:42:48,374 INFO [main.py:643]
{rank 0/100} MD step = 385700 step time: 00:00:00.021763 Performance: 312.656 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:42:48,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385700 38570 40.114 -39423 4396.6 -43820 -43820 -0.43806 0.79938 0.2487 1.8871e+05 2023-02-16 04:42:51,094 INFO [main.py:643]
{rank 0/100} MD step = 385800 step time: 00:00:00.020692 Performance: 312.657 ns/day 0.077 hours/ns 36.187 steps/s 2023-02-16 04:42:51,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385800 38580 39.834 -39436 4365.9 -43802 -43802 -0.43862 0.79863 0.24928 1.8876e+05 2023-02-16 04:42:53,733 INFO [main.py:643]
{rank 0/100} MD step = 385900 step time: 00:00:00.020433 Performance: 312.661 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:42:54,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385900 38590 40.467 -39397 4435.2 -43832 -43832 -0.43934 0.79964 0.24954 1.8882e+05 2023-02-16 04:42:56,381 INFO [main.py:643]
{rank 0/100} MD step = 386000 step time: 00:00:00.020544 Performance: 312.664 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:42:57,113 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386000 38600 40.352 -39474 4422.6 -43896 -43896 -0.43957 0.80068 0.25003 1.8885e+05 2023-02-16 04:42:59,162 INFO [main.py:643]
{rank 0/100} MD step = 386100 step time: 00:00:00.020648 Performance: 312.664 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:42:59,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386100 38610 39.977 -39426 4381.5 -43807 -43807 -0.43907 0.79951 0.25054 1.8891e+05 2023-02-16 04:43:01,830 INFO [main.py:643]
{rank 0/100} MD step = 386200 step time: 00:00:00.020661 Performance: 312.667 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:02,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386200 38620 40.189 -39473 4404.7 -43878 -43878 -0.43955 0.80008 0.25057 1.8895e+05 2023-02-16 04:43:04,585 INFO [main.py:643]
{rank 0/100} MD step = 386300 step time: 00:00:00.020868 Performance: 312.667 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:05,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386300 38630 39.649 -39429 4345.6 -43774 -43774 -0.43943 0.80138 0.25 1.89e+05 2023-02-16 04:43:07,462 INFO [main.py:643]
{rank 0/100} MD step = 386400 step time: 00:00:00.020854 Performance: 312.663 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:08,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386400 38640 40.072 -39439 4391.9 -43831 -43831 -0.43855 0.80138 0.24982 1.8905e+05 2023-02-16 04:43:10,272 INFO [main.py:643]
{rank 0/100} MD step = 386500 step time: 00:00:00.020728 Performance: 312.662 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:11,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386500 38650 39.8 -39407 4362.1 -43769 -43769 -0.43711 0.80155 0.25049 1.891e+05 2023-02-16 04:43:13,058 INFO [main.py:643]
{rank 0/100} MD step = 386600 step time: 00:00:00.020447 Performance: 312.661 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:13,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386600 38660 39.443 -39589 4323 -43912 -43912 -0.43715 0.80158 0.25076 1.8915e+05 2023-02-16 04:43:15,800 INFO [main.py:643]
{rank 0/100} MD step = 386700 step time: 00:00:00.020561 Performance: 312.662 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:16,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386700 38670 40.167 -39407 4402.3 -43810 -43810 -0.43642 0.80164 0.25093 1.8921e+05 2023-02-16 04:43:18,487 INFO [main.py:643]
{rank 0/100} MD step = 386800 step time: 00:00:00.020447 Performance: 312.664 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:19,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386800 38680 39.706 -39504 4351.8 -43856 -43856 -0.43433 0.80155 0.2511 1.8925e+05 2023-02-16 04:43:21,229 INFO [main.py:643]
{rank 0/100} MD step = 386900 step time: 00:00:00.020757 Performance: 312.665 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:21,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386900 38690 39.892 -39382 4372.2 -43754 -43754 -0.4359 0.80229 0.25135 1.8929e+05 2023-02-16 04:43:23,907 INFO [main.py:643]
{rank 0/100} MD step = 387000 step time: 00:00:00.020408 Performance: 312.667 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:43:24,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387000 38700 40.115 -39392 4396.7 -43789 -43789 -0.43561 0.80198 0.25064 1.8934e+05 2023-02-16 04:43:26,607 INFO [main.py:643]
{rank 0/100} MD step = 387100 step time: 00:00:00.020650 Performance: 312.669 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:27,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387100 38710 39.814 -39465 4363.6 -43828 -43828 -0.43529 0.80269 0.25146 1.8938e+05 2023-02-16 04:43:29,329 INFO [main.py:643]
{rank 0/100} MD step = 387200 step time: 00:00:00.020477 Performance: 312.670 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:30,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387200 38720 40.183 -39450 4404.1 -43854 -43854 -0.4343 0.80315 0.25092 1.8942e+05 2023-02-16 04:43:32,056 INFO [main.py:643]
{rank 0/100} MD step = 387300 step time: 00:00:00.020432 Performance: 312.671 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:32,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387300 38730 40.385 -39436 4426.3 -43863 -43863 -0.43352 0.80302 0.25102 1.8947e+05 2023-02-16 04:43:34,764 INFO [main.py:643]
{rank 0/100} MD step = 387400 step time: 00:00:00.020560 Performance: 312.673 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:35,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387400 38740 39.709 -39493 4352.1 -43845 -43845 -0.43254 0.80323 0.25087 1.8952e+05 2023-02-16 04:43:37,507 INFO [main.py:643]
{rank 0/100} MD step = 387500 step time: 00:00:00.020465 Performance: 312.674 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:38,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387500 38750 39.738 -39462 4355.4 -43817 -43817 -0.433 0.80422 0.251 1.8956e+05 2023-02-16 04:43:40,247 INFO [main.py:643]
{rank 0/100} MD step = 387600 step time: 00:00:00.020474 Performance: 312.674 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:40,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387600 38760 40.394 -39414 4427.2 -43841 -43841 -0.43328 0.80424 0.25075 1.8962e+05 2023-02-16 04:43:42,981 INFO [main.py:643]
{rank 0/100} MD step = 387700 step time: 00:00:00.020537 Performance: 312.675 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:43,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387700 38770 39.654 -39541 4346.1 -43887 -43887 -0.43333 0.80405 0.25028 1.8966e+05 2023-02-16 04:43:45,746 INFO [main.py:643]
{rank 0/100} MD step = 387800 step time: 00:00:00.020557 Performance: 312.675 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:46,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387800 38780 39.646 -39497 4345.2 -43842 -43842 -0.43292 0.80409 0.2511 1.8969e+05 2023-02-16 04:43:48,601 INFO [main.py:643]
{rank 0/100} MD step = 387900 step time: 00:00:00.020780 Performance: 312.673 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:49,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387900 38790 40.215 -39456 4407.6 -43863 -43863 -0.43115 0.80431 0.25095 1.8975e+05 2023-02-16 04:43:51,327 INFO [main.py:643]
{rank 0/100} MD step = 388000 step time: 00:00:00.020438 Performance: 312.674 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:51,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388000 38800 39.894 -39507 4372.4 -43880 -43880 -0.43153 0.80448 0.25121 1.898e+05 2023-02-16 04:43:54,055 INFO [main.py:643]
{rank 0/100} MD step = 388100 step time: 00:00:00.020471 Performance: 312.675 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:54,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388100 38810 39.914 -39373 4374.6 -43748 -43748 -0.43195 0.80464 0.2516 1.8985e+05 2023-02-16 04:43:56,737 INFO [main.py:643]
{rank 0/100} MD step = 388200 step time: 00:00:00.020402 Performance: 312.677 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:43:57,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388200 38820 39.775 -39529 4359.4 -43888 -43888 -0.43255 0.80515 0.25085 1.8989e+05 2023-02-16 04:43:59,416 INFO [main.py:643]
{rank 0/100} MD step = 388300 step time: 00:00:00.020491 Performance: 312.679 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:43:59,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388300 38830 40.561 -39406 4445.5 -43852 -43852 -0.43342 0.80486 0.25076 1.8993e+05 2023-02-16 04:44:02,110 INFO [main.py:643]
{rank 0/100} MD step = 388400 step time: 00:00:00.020531 Performance: 312.681 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:02,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388400 38840 39.817 -39431 4363.9 -43795 -43795 -0.43297 0.80509 0.2504 1.8999e+05 2023-02-16 04:44:04,802 INFO [main.py:643]
{rank 0/100} MD step = 388500 step time: 00:00:00.020419 Performance: 312.684 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:05,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388500 38850 40.469 -39343 4435.4 -43779 -43779 -0.43324 0.80446 0.25033 1.9004e+05 2023-02-16 04:44:07,533 INFO [main.py:643]
{rank 0/100} MD step = 388600 step time: 00:00:00.020491 Performance: 312.684 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:08,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388600 38860 40.259 -39405 4412.5 -43818 -43818 -0.433 0.80452 0.2511 1.901e+05 2023-02-16 04:44:10,218 INFO [main.py:643]
{rank 0/100} MD step = 388700 step time: 00:00:00.020586 Performance: 312.687 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:10,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388700 38870 39.755 -39411 4357.2 -43768 -43768 -0.43257 0.80502 0.25127 1.9013e+05 2023-02-16 04:44:13,003 INFO [main.py:643]
{rank 0/100} MD step = 388800 step time: 00:00:00.020574 Performance: 312.686 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:13,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388800 38880 40.143 -39391 4399.7 -43790 -43790 -0.43345 0.80536 0.25114 1.9018e+05 2023-02-16 04:44:15,788 INFO [main.py:643]
{rank 0/100} MD step = 388900 step time: 00:00:00.020490 Performance: 312.685 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:16,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388900 38890 39.883 -39394 4371.2 -43765 -43765 -0.43101 0.80625 0.25102 1.9025e+05 2023-02-16 04:44:18,590 INFO [main.py:643]
{rank 0/100} MD step = 389000 step time: 00:00:00.020543 Performance: 312.684 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:19,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389000 38900 40.054 -39465 4390 -43855 -43855 -0.43004 0.80663 0.2506 1.9029e+05 2023-02-16 04:44:21,258 INFO [main.py:643]
{rank 0/100} MD step = 389100 step time: 00:00:00.020383 Performance: 312.687 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:21,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389100 38910 39.543 -39483 4333.9 -43817 -43817 -0.42901 0.80686 0.25083 1.9033e+05 2023-02-16 04:44:23,933 INFO [main.py:643]
{rank 0/100} MD step = 389200 step time: 00:00:00.020369 Performance: 312.690 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:24,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389200 38920 40.232 -39409 4409.4 -43818 -43818 -0.42972 0.80659 0.2505 1.9038e+05 2023-02-16 04:44:26,614 INFO [main.py:643]
{rank 0/100} MD step = 389300 step time: 00:00:00.020648 Performance: 312.692 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:27,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389300 38930 39.525 -39505 4332 -43837 -43837 -0.43046 0.80667 0.25159 1.9041e+05 2023-02-16 04:44:29,381 INFO [main.py:643]
{rank 0/100} MD step = 389400 step time: 00:00:00.020691 Performance: 312.692 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:29,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389400 38940 39.509 -39456 4330.2 -43786 -43786 -0.43276 0.807 0.25135 1.9048e+05 2023-02-16 04:44:32,070 INFO [main.py:643]
{rank 0/100} MD step = 389500 step time: 00:00:00.020538 Performance: 312.694 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:32,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389500 38950 39.783 -39490 4360.3 -43851 -43851 -0.43224 0.80733 0.25099 1.9052e+05 2023-02-16 04:44:34,878 INFO [main.py:643]
{rank 0/100} MD step = 389600 step time: 00:00:00.020447 Performance: 312.693 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:35,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389600 38960 40.276 -39435 4414.3 -43849 -43849 -0.43298 0.80828 0.25196 1.9059e+05 2023-02-16 04:44:37,757 INFO [main.py:643]
{rank 0/100} MD step = 389700 step time: 00:00:00.020567 Performance: 312.689 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:38,533 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389700 38970 39.907 -39409 4373.9 -43783 -43783 -0.43401 0.80824 0.2506 1.9064e+05 2023-02-16 04:44:40,569 INFO [main.py:643]
{rank 0/100} MD step = 389800 step time: 00:00:00.020502 Performance: 312.688 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:44:41,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389800 38980 40.063 -39411 4390.9 -43802 -43802 -0.43308 0.80789 0.25116 1.9067e+05 2023-02-16 04:44:43,456 INFO [main.py:643]
{rank 0/100} MD step = 389900 step time: 00:00:00.020482 Performance: 312.684 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:44,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389900 38990 39.853 -39506 4368 -43874 -43874 -0.4348 0.80799 0.25151 1.9072e+05 2023-02-16 04:44:46,305 INFO [main.py:643]
{rank 0/100} MD step = 390000 step time: 00:00:00.020485 Performance: 312.682 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:46,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390000 39000 39.694 -39556 4350.5 -43906 -43906 -0.4356 0.80863 0.25162 1.9077e+05 2023-02-16 04:44:49,155 INFO [main.py:643]
{rank 0/100} MD step = 390100 step time: 00:00:00.020499 Performance: 312.679 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:49,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390100 39010 40.335 -39350 4420.8 -43770 -43770 -0.43461 0.80849 0.25209 1.9083e+05 2023-02-16 04:44:51,825 INFO [main.py:643]
{rank 0/100} MD step = 390200 step time: 00:00:00.020504 Performance: 312.682 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:52,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390200 39020 40.03 -39423 4387.3 -43810 -43810 -0.43585 0.80947 0.25177 1.9087e+05 2023-02-16 04:44:54,505 INFO [main.py:643]
{rank 0/100} MD step = 390300 step time: 00:00:00.020562 Performance: 312.685 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:55,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390300 39030 40.136 -39394 4399 -43793 -43793 -0.43595 0.80977 0.25212 1.9092e+05 2023-02-16 04:44:57,241 INFO [main.py:643]
{rank 0/100} MD step = 390400 step time: 00:00:00.020593 Performance: 312.685 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:44:57,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390400 39040 39.701 -39519 4351.3 -43870 -43870 -0.43688 0.80944 0.25328 1.9097e+05 2023-02-16 04:45:00,011 INFO [main.py:643]
{rank 0/100} MD step = 390500 step time: 00:00:00.020457 Performance: 312.685 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:45:00,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390500 39050 39.776 -39465 4359.4 -43825 -43825 -0.43536 0.81034 0.2537 1.9101e+05 2023-02-16 04:45:02,730 INFO [main.py:643]
{rank 0/100} MD step = 390600 step time: 00:00:00.020412 Performance: 312.686 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:03,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390600 39060 39.899 -39478 4373 -43851 -43851 -0.43521 0.81083 0.25436 1.9106e+05 2023-02-16 04:45:05,448 INFO [main.py:643]
{rank 0/100} MD step = 390700 step time: 00:00:00.020453 Performance: 312.688 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:06,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390700 39070 39.424 -39447 4320.9 -43768 -43768 -0.43513 0.81064 0.25464 1.9111e+05 2023-02-16 04:45:08,140 INFO [main.py:643]
{rank 0/100} MD step = 390800 step time: 00:00:00.020545 Performance: 312.690 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:08,885 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390800 39080 40.245 -39449 4410.9 -43860 -43860 -0.43503 0.81113 0.25467 1.9117e+05 2023-02-16 04:45:10,965 INFO [main.py:643]
{rank 0/100} MD step = 390900 step time: 00:00:00.020528 Performance: 312.688 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:11,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390900 39090 40.139 -39509 4399.3 -43908 -43908 -0.4369 0.8109 0.25407 1.9121e+05 2023-02-16 04:45:13,724 INFO [main.py:643]
{rank 0/100} MD step = 391000 step time: 00:00:00.020435 Performance: 312.688 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:14,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391000 39100 39.951 -39486 4378.7 -43865 -43865 -0.43553 0.81125 0.25347 1.9125e+05 2023-02-16 04:45:16,594 INFO [main.py:643]
{rank 0/100} MD step = 391100 step time: 00:00:00.020360 Performance: 312.685 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:45:17,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391100 39110 40.683 -39364 4458.9 -43823 -43823 -0.43627 0.81208 0.25355 1.9131e+05 2023-02-16 04:45:19,331 INFO [main.py:643]
{rank 0/100} MD step = 391200 step time: 00:00:00.020444 Performance: 312.686 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:45:20,005 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391200 39120 39.791 -39457 4361.2 -43818 -43818 -0.43776 0.81182 0.25361 1.9136e+05 2023-02-16 04:45:22,037 INFO [main.py:643]
{rank 0/100} MD step = 391300 step time: 00:00:00.020603 Performance: 312.687 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:22,644 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391300 39130 40.479 -39443 4436.5 -43880 -43880 -0.4381 0.81141 0.2544 1.914e+05 2023-02-16 04:45:24,796 INFO [main.py:643]
{rank 0/100} MD step = 391400 step time: 00:00:00.020469 Performance: 312.688 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:25,287 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391400 39140 40.362 -39436 4423.7 -43860 -43860 -0.43972 0.81137 0.25359 1.9145e+05 2023-02-16 04:45:27,600 INFO [main.py:643]
{rank 0/100} MD step = 391500 step time: 00:00:00.020440 Performance: 312.686 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:28,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391500 39150 40.625 -39399 4452.5 -43851 -43851 -0.43841 0.81096 0.25354 1.9151e+05 2023-02-16 04:45:30,360 INFO [main.py:643]
{rank 0/100} MD step = 391600 step time: 00:00:00.020683 Performance: 312.686 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:31,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391600 39160 39.377 -39507 4315.7 -43822 -43822 -0.44024 0.81146 0.25395 1.9156e+05 2023-02-16 04:45:33,136 INFO [main.py:643]
{rank 0/100} MD step = 391700 step time: 00:00:00.020513 Performance: 312.686 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:33,826 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391700 39170 39.866 -39433 4369.4 -43803 -43803 -0.44164 0.811 0.25495 1.9161e+05 2023-02-16 04:45:35,857 INFO [main.py:643]
{rank 0/100} MD step = 391800 step time: 00:00:00.020480 Performance: 312.687 ns/day 0.077 hours/ns 36.191 steps/s 2023-02-16 04:45:36,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391800 39180 39.744 -39522 4356 -43878 -43878 -0.44086 0.81113 0.2554 1.9164e+05 2023-02-16 04:45:38,706 INFO [main.py:643]
{rank 0/100} MD step = 391900 step time: 00:00:00.020870 Performance: 312.685 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:45:39,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391900 39190 40.05 -39379 4389.6 -43769 -43769 -0.44102 0.81121 0.25502 1.9169e+05 2023-02-16 04:45:41,505 INFO [main.py:643]
{rank 0/100} MD step = 392000 step time: 00:00:00.020465 Performance: 312.684 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:45:42,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392000 39200 39.912 -39468 4374.4 -43842 -43842 -0.44057 0.81247 0.25468 1.9174e+05 2023-02-16 04:45:44,194 INFO [main.py:643]
{rank 0/100} MD step = 392100 step time: 00:00:00.020375 Performance: 312.686 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:45:44,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392100 39210 39.783 -39501 4360.3 -43861 -43861 -0.44199 0.81282 0.25459 1.9179e+05 2023-02-16 04:45:47,121 INFO [main.py:643]
{rank 0/100} MD step = 392200 step time: 00:00:00.020543 Performance: 312.681 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:45:47,827 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392200 39220 39.971 -39469 4380.9 -43850 -43850 -0.44209 0.81353 0.25408 1.9182e+05 2023-02-16 04:45:49,894 INFO [main.py:643]
{rank 0/100} MD step = 392300 step time: 00:00:00.020419 Performance: 312.681 ns/day 0.077 hours/ns 36.190 steps/s 2023-02-16 04:45:50,631 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392300 39230 39.954 -39453 4379 -43832 -43832 -0.44095 0.81365 0.25431 1.9187e+05 2023-02-16 04:45:52,855 INFO [main.py:643]
{rank 0/100} MD step = 392400 step time: 00:00:00.020479 Performance: 312.675 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:45:53,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392400 39240 40.362 -39408 4423.8 -43832 -43832 -0.44137 0.81281 0.25441 1.9191e+05 2023-02-16 04:45:55,620 INFO [main.py:643]
{rank 0/100} MD step = 392500 step time: 00:00:00.020595 Performance: 312.675 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:45:56,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392500 39250 39.901 -39458 4373.2 -43831 -43831 -0.44189 0.81201 0.25422 1.9195e+05 2023-02-16 04:45:58,520 INFO [main.py:643]
{rank 0/100} MD step = 392600 step time: 00:00:00.020528 Performance: 312.671 ns/day 0.077 hours/ns 36.189 steps/s 2023-02-16 04:45:59,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392600 39260 40.36 -39438 4423.5 -43861 -43861 -0.44205 0.81258 0.25438 1.9199e+05 2023-02-16 04:46:01,521 INFO [main.py:643]
{rank 0/100} MD step = 392700 step time: 00:00:00.020479 Performance: 312.664 ns/day 0.077 hours/ns 36.188 steps/s 2023-02-16 04:46:04,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392700 39270 39.601 -39494 4340.3 -43834 -43834 -0.44227 0.81273 0.25413 1.9205e+05 2023-02-16 04:46:06,515 INFO [main.py:643]
{rank 0/100} MD step = 392800 step time: 00:00:00.020359 Performance: 312.600 ns/day 0.077 hours/ns 36.181 steps/s 2023-02-16 04:46:07,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392800 39280 40.072 -39478 4392 -43870 -43870 -0.44357 0.81206 0.2538 1.9209e+05 2023-02-16 04:46:09,900 INFO [main.py:643]
{rank 0/100} MD step = 392900 step time: 00:00:00.020679 Performance: 312.582 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:46:10,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392900 39290 40.586 -39421 4448.3 -43869 -43869 -0.44383 0.81214 0.25361 1.9214e+05 2023-02-16 04:46:12,662 INFO [main.py:643]
{rank 0/100} MD step = 393000 step time: 00:00:00.020318 Performance: 312.582 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:46:13,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393000 39300 39.771 -39449 4359 -43808 -43808 -0.44521 0.81319 0.25329 1.9219e+05 2023-02-16 04:46:15,359 INFO [main.py:643]
{rank 0/100} MD step = 393100 step time: 00:00:00.020434 Performance: 312.584 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:46:15,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393100 39310 40.251 -39452 4411.6 -43864 -43864 -0.44456 0.81284 0.25337 1.9223e+05 2023-02-16 04:46:18,222 INFO [main.py:643]
{rank 0/100} MD step = 393200 step time: 00:00:00.021868 Performance: 312.581 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:46:18,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393200 39320 40.128 -39434 4398.1 -43832 -43832 -0.4443 0.81306 0.25351 1.9227e+05 2023-02-16 04:46:20,952 INFO [main.py:643]
{rank 0/100} MD step = 393300 step time: 00:00:00.020372 Performance: 312.582 ns/day 0.077 hours/ns 36.179 steps/s 2023-02-16 04:46:21,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393300 39330 40.143 -39530 4399.8 -43930 -43930 -0.44483 0.81414 0.25316 1.9233e+05 2023-02-16 04:46:23,776 INFO [main.py:643]
{rank 0/100} MD step = 393400 step time: 00:00:00.020391 Performance: 312.581 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:46:24,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393400 39340 40.035 -39486 4387.8 -43874 -43874 -0.44429 0.81624 0.25379 1.9237e+05 2023-02-16 04:46:26,487 INFO [main.py:643]
{rank 0/100} MD step = 393500 step time: 00:00:00.020519 Performance: 312.582 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:46:27,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393500 39350 40.681 -39400 4458.7 -43859 -43859 -0.44472 0.81685 0.25405 1.9242e+05 2023-02-16 04:46:29,352 INFO [main.py:643]
{rank 0/100} MD step = 393600 step time: 00:00:00.020559 Performance: 312.579 ns/day 0.077 hours/ns 36.178 steps/s 2023-02-16 04:46:32,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393600 39360 40.343 -39387 4421.7 -43809 -43809 -0.4442 0.81685 0.25356 1.9246e+05 2023-02-16 04:46:34,257 INFO [main.py:643]
{rank 0/100} MD step = 393700 step time: 00:00:00.020556 Performance: 312.518 ns/day 0.077 hours/ns 36.171 steps/s 2023-02-16 04:46:34,980 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393700 39370 39.7 -39559 4351.1 -43911 -43911 -0.44501 0.81776 0.25401 1.925e+05 2023-02-16 04:46:37,014 INFO [main.py:643]
{rank 0/100} MD step = 393800 step time: 00:00:00.020429 Performance: 312.518 ns/day 0.077 hours/ns 36.171 steps/s 2023-02-16 04:46:38,344 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393800 39380 40.182 -39435 4404 -43839 -43839 -0.44515 0.81873 0.25411 1.9257e+05 2023-02-16 04:46:40,441 INFO [main.py:643]
{rank 0/100} MD step = 393900 step time: 00:00:00.020672 Performance: 312.499 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:46:41,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393900 39390 40.304 -39478 4417.4 -43896 -43896 -0.44515 0.81812 0.25476 1.9261e+05 2023-02-16 04:46:43,242 INFO [main.py:643]
{rank 0/100} MD step = 394000 step time: 00:00:00.020438 Performance: 312.498 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:46:44,006 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394000 39400 39.718 -39458 4353.1 -43811 -43811 -0.44631 0.81806 0.25567 1.9266e+05 2023-02-16 04:46:46,127 INFO [main.py:643]
{rank 0/100} MD step = 394100 step time: 00:00:00.020554 Performance: 312.494 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:46:46,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394100 39410 39.594 -39480 4339.5 -43819 -43819 -0.44788 0.81873 0.25579 1.9271e+05 2023-02-16 04:46:48,906 INFO [main.py:643]
{rank 0/100} MD step = 394200 step time: 00:00:00.020674 Performance: 312.494 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:46:49,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394200 39420 39.914 -39437 4374.7 -43812 -43812 -0.44673 0.81864 0.25561 1.9275e+05 2023-02-16 04:46:51,669 INFO [main.py:643]
{rank 0/100} MD step = 394300 step time: 00:00:00.020572 Performance: 312.494 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:46:52,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394300 39430 39.663 -39526 4347.1 -43873 -43873 -0.44658 0.81805 0.2549 1.928e+05 2023-02-16 04:46:54,496 INFO [main.py:643]
{rank 0/100} MD step = 394400 step time: 00:00:00.020438 Performance: 312.492 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:46:54,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394400 39440 40.192 -39504 4405.1 -43909 -43909 -0.44566 0.81794 0.2556 1.9283e+05 2023-02-16 04:46:57,189 INFO [main.py:643]
{rank 0/100} MD step = 394500 step time: 00:00:00.020463 Performance: 312.494 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:46:57,840 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394500 39450 40.375 -39408 4425.1 -43834 -43834 -0.44634 0.81847 0.25558 1.9288e+05 2023-02-16 04:46:59,906 INFO [main.py:643]
{rank 0/100} MD step = 394600 step time: 00:00:00.020549 Performance: 312.496 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:47:00,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394600 39460 40.264 -39412 4413 -43825 -43825 -0.44638 0.8193 0.25518 1.9296e+05 2023-02-16 04:47:02,644 INFO [main.py:643]
{rank 0/100} MD step = 394700 step time: 00:00:00.020658 Performance: 312.497 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:03,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394700 39470 40.178 -39411 4403.6 -43815 -43815 -0.44535 0.81908 0.25519 1.9298e+05 2023-02-16 04:47:05,350 INFO [main.py:643]
{rank 0/100} MD step = 394800 step time: 00:00:00.020343 Performance: 312.498 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:06,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394800 39480 40.194 -39451 4405.3 -43856 -43856 -0.44559 0.8197 0.25531 1.9304e+05 2023-02-16 04:47:08,150 INFO [main.py:643]
{rank 0/100} MD step = 394900 step time: 00:00:00.020440 Performance: 312.497 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:08,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394900 39490 40.006 -39405 4384.7 -43790 -43790 -0.44555 0.82039 0.25491 1.9309e+05 2023-02-16 04:47:10,839 INFO [main.py:643]
{rank 0/100} MD step = 395000 step time: 00:00:00.020552 Performance: 312.499 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:11,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395000 39500 40.649 -39368 4455.2 -43823 -43823 -0.44604 0.82095 0.25534 1.9313e+05 2023-02-16 04:47:13,591 INFO [main.py:643]
{rank 0/100} MD step = 395100 step time: 00:00:00.021059 Performance: 312.500 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:14,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395100 39510 39.81 -39472 4363.2 -43836 -43836 -0.44575 0.82078 0.25569 1.9319e+05 2023-02-16 04:47:16,378 INFO [main.py:643]
{rank 0/100} MD step = 395200 step time: 00:00:00.020658 Performance: 312.499 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:16,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395200 39520 39.707 -39502 4351.9 -43854 -43854 -0.44476 0.82041 0.25638 1.9323e+05 2023-02-16 04:47:19,157 INFO [main.py:643]
{rank 0/100} MD step = 395300 step time: 00:00:00.020503 Performance: 312.499 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:19,717 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395300 39530 39.982 -39451 4382.1 -43833 -43833 -0.44551 0.81999 0.25644 1.9329e+05 2023-02-16 04:47:21,911 INFO [main.py:643]
{rank 0/100} MD step = 395400 step time: 00:00:00.020536 Performance: 312.499 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:22,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395400 39540 39.483 -39562 4327.4 -43890 -43890 -0.44502 0.82004 0.25685 1.9333e+05 2023-02-16 04:47:24,696 INFO [main.py:643]
{rank 0/100} MD step = 395500 step time: 00:00:00.020423 Performance: 312.498 ns/day 0.077 hours/ns 36.169 steps/s 2023-02-16 04:47:25,455 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395500 39550 39.84 -39496 4366.5 -43863 -43863 -0.4437 0.82104 0.25673 1.934e+05 2023-02-16 04:47:27,628 INFO [main.py:643]
{rank 0/100} MD step = 395600 step time: 00:00:00.020378 Performance: 312.494 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:47:28,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395600 39560 40.66 -39351 4456.4 -43808 -43808 -0.44483 0.82217 0.25652 1.9343e+05 2023-02-16 04:47:30,394 INFO [main.py:643]
{rank 0/100} MD step = 395700 step time: 00:00:00.020469 Performance: 312.494 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:47:31,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395700 39570 40.272 -39449 4413.9 -43863 -43863 -0.44444 0.82237 0.25623 1.9347e+05 2023-02-16 04:47:33,223 INFO [main.py:643]
{rank 0/100} MD step = 395800 step time: 00:00:00.020411 Performance: 312.492 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:47:33,620 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395800 39580 40.243 -39367 4410.7 -43778 -43778 -0.44407 0.8225 0.25569 1.9354e+05 2023-02-16 04:47:35,918 INFO [main.py:643]
{rank 0/100} MD step = 395900 step time: 00:00:00.020659 Performance: 312.494 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:47:36,714 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395900 39590 39.885 -39442 4371.5 -43814 -43814 -0.44337 0.82256 0.25588 1.9359e+05 2023-02-16 04:47:38,835 INFO [main.py:643]
{rank 0/100} MD step = 396000 step time: 00:00:00.020542 Performance: 312.490 ns/day 0.077 hours/ns 36.168 steps/s 2023-02-16 04:47:39,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396000 39600 39.494 -39512 4328.5 -43840 -43840 -0.44442 0.8233 0.25592 1.9363e+05 2023-02-16 04:47:41,701 INFO [main.py:643]
{rank 0/100} MD step = 396100 step time: 00:00:00.020358 Performance: 312.487 ns/day 0.077 hours/ns 36.167 steps/s 2023-02-16 04:47:42,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396100 39610 39.181 -39574 4294.3 -43868 -43868 -0.44505 0.82358 0.25571 1.9369e+05 2023-02-16 04:47:44,676 INFO [main.py:643]
{rank 0/100} MD step = 396200 step time: 00:00:00.020378 Performance: 312.481 ns/day 0.077 hours/ns 36.167 steps/s 2023-02-16 04:47:45,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396200 39620 39.957 -39460 4379.4 -43840 -43840 -0.44609 0.82355 0.25604 1.9375e+05 2023-02-16 04:47:47,533 INFO [main.py:643]
{rank 0/100} MD step = 396300 step time: 00:00:00.020350 Performance: 312.478 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:47:48,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396300 39630 39.879 -39440 4370.8 -43811 -43811 -0.44549 0.82316 0.25515 1.9381e+05 2023-02-16 04:47:50,285 INFO [main.py:643]
{rank 0/100} MD step = 396400 step time: 00:00:00.020464 Performance: 312.478 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:47:50,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396400 39640 39.77 -39515 4358.8 -43873 -43873 -0.44604 0.82422 0.25556 1.9385e+05 2023-02-16 04:47:53,089 INFO [main.py:643]
{rank 0/100} MD step = 396500 step time: 00:00:00.020527 Performance: 312.477 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:47:53,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396500 39650 39.928 -39401 4376.2 -43778 -43778 -0.44597 0.82517 0.25642 1.939e+05 2023-02-16 04:47:55,900 INFO [main.py:643]
{rank 0/100} MD step = 396600 step time: 00:00:00.020587 Performance: 312.476 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:47:56,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396600 39660 39.304 -39546 4307.7 -43853 -43853 -0.44469 0.82481 0.25658 1.9395e+05 2023-02-16 04:47:58,659 INFO [main.py:643]
{rank 0/100} MD step = 396700 step time: 00:00:00.020685 Performance: 312.476 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:47:59,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396700 39670 40.046 -39465 4389.1 -43854 -43854 -0.44582 0.82618 0.25661 1.94e+05 2023-02-16 04:48:01,371 INFO [main.py:643]
{rank 0/100} MD step = 396800 step time: 00:00:00.020348 Performance: 312.478 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:01,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396800 39680 40.075 -39499 4392.2 -43891 -43891 -0.44597 0.82685 0.25705 1.9404e+05 2023-02-16 04:48:04,099 INFO [main.py:643]
{rank 0/100} MD step = 396900 step time: 00:00:00.020385 Performance: 312.479 ns/day 0.077 hours/ns 36.167 steps/s 2023-02-16 04:48:04,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396900 39690 39.941 -39442 4377.6 -43819 -43819 -0.44503 0.82568 0.25706 1.941e+05 2023-02-16 04:48:06,875 INFO [main.py:643]
{rank 0/100} MD step = 397000 step time: 00:00:00.020391 Performance: 312.478 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:07,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397000 39700 39.815 -39404 4363.8 -43768 -43768 -0.44593 0.82708 0.25835 1.9417e+05 2023-02-16 04:48:09,813 INFO [main.py:643]
{rank 0/100} MD step = 397100 step time: 00:00:00.020583 Performance: 312.473 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:10,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397100 39710 39.754 -39469 4357.1 -43826 -43826 -0.44652 0.82829 0.25819 1.9421e+05 2023-02-16 04:48:12,487 INFO [main.py:643]
{rank 0/100} MD step = 397200 step time: 00:00:00.020551 Performance: 312.476 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:13,216 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397200 39720 40.005 -39423 4384.6 -43808 -43808 -0.44648 0.82835 0.25859 1.9426e+05 2023-02-16 04:48:15,403 INFO [main.py:643]
{rank 0/100} MD step = 397300 step time: 00:00:00.020459 Performance: 312.472 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:16,104 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397300 39730 40.855 -39382 4477.7 -43860 -43860 -0.44516 0.82908 0.25893 1.9431e+05 2023-02-16 04:48:18,136 INFO [main.py:643]
{rank 0/100} MD step = 397400 step time: 00:00:00.020446 Performance: 312.473 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:18,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397400 39740 40.189 -39388 4404.8 -43792 -43792 -0.44715 0.82986 0.25912 1.9435e+05 2023-02-16 04:48:20,828 INFO [main.py:643]
{rank 0/100} MD step = 397500 step time: 00:00:00.020614 Performance: 312.475 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:21,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397500 39750 39.597 -39485 4339.9 -43825 -43825 -0.44556 0.82955 0.25883 1.9441e+05 2023-02-16 04:48:23,511 INFO [main.py:643]
{rank 0/100} MD step = 397600 step time: 00:00:00.020649 Performance: 312.477 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:24,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397600 39760 39.847 -39520 4367.3 -43887 -43887 -0.4447 0.82886 0.25993 1.9447e+05 2023-02-16 04:48:26,272 INFO [main.py:643]
{rank 0/100} MD step = 397700 step time: 00:00:00.020668 Performance: 312.477 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:26,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397700 39770 39.871 -39515 4369.9 -43885 -43885 -0.44558 0.82816 0.25977 1.9449e+05 2023-02-16 04:48:29,021 INFO [main.py:643]
{rank 0/100} MD step = 397800 step time: 00:00:00.020470 Performance: 312.478 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:29,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397800 39780 39.868 -39485 4369.6 -43854 -43854 -0.44563 0.82914 0.2596 1.9455e+05 2023-02-16 04:48:31,726 INFO [main.py:643]
{rank 0/100} MD step = 397900 step time: 00:00:00.020514 Performance: 312.479 ns/day 0.077 hours/ns 36.167 steps/s 2023-02-16 04:48:32,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397900 39790 40.467 -39398 4435.2 -43833 -43833 -0.44465 0.82887 0.2591 1.946e+05 2023-02-16 04:48:34,582 INFO [main.py:643]
{rank 0/100} MD step = 398000 step time: 00:00:00.020301 Performance: 312.477 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:35,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398000 39800 39.961 -39545 4379.7 -43924 -43924 -0.44341 0.82908 0.25871 1.9467e+05 2023-02-16 04:48:37,538 INFO [main.py:643]
{rank 0/100} MD step = 398100 step time: 00:00:00.020447 Performance: 312.471 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:38,146 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398100 39810 40.398 -39372 4427.7 -43800 -43800 -0.44391 0.83076 0.25909 1.9471e+05 2023-02-16 04:48:40,497 INFO [main.py:643]
{rank 0/100} MD step = 398200 step time: 00:00:00.020498 Performance: 312.466 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:48:41,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398200 39820 39.611 -39527 4341.4 -43868 -43868 -0.44444 0.831 0.25941 1.9475e+05 2023-02-16 04:48:43,290 INFO [main.py:643]
{rank 0/100} MD step = 398300 step time: 00:00:00.020370 Performance: 312.465 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:48:43,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398300 39830 40.616 -39412 4451.6 -43863 -43863 -0.44394 0.83151 0.26137 1.9481e+05 2023-02-16 04:48:46,020 INFO [main.py:643]
{rank 0/100} MD step = 398400 step time: 00:00:00.020404 Performance: 312.466 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:48:46,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398400 39840 39.968 -39468 4380.5 -43848 -43848 -0.44528 0.83172 0.26219 1.9485e+05 2023-02-16 04:48:48,736 INFO [main.py:643]
{rank 0/100} MD step = 398500 step time: 00:00:00.020518 Performance: 312.467 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:48:49,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398500 39850 39.959 -39449 4379.6 -43828 -43828 -0.44546 0.83111 0.2618 1.949e+05 2023-02-16 04:48:51,387 INFO [main.py:643]
{rank 0/100} MD step = 398600 step time: 00:00:00.020476 Performance: 312.471 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:52,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398600 39860 40.26 -39463 4412.5 -43876 -43876 -0.44675 0.83136 0.26173 1.9494e+05 2023-02-16 04:48:54,157 INFO [main.py:643]
{rank 0/100} MD step = 398700 step time: 00:00:00.020425 Performance: 312.471 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:54,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398700 39870 39.296 -39505 4306.9 -43812 -43812 -0.44667 0.83133 0.2625 1.9501e+05 2023-02-16 04:48:56,803 INFO [main.py:643]
{rank 0/100} MD step = 398800 step time: 00:00:00.020470 Performance: 312.474 ns/day 0.077 hours/ns 36.166 steps/s 2023-02-16 04:48:58,120 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398800 39880 39.803 -39425 4362.4 -43787 -43787 -0.4463 0.83146 0.26262 1.9505e+05 2023-02-16 04:49:00,266 INFO [main.py:643]
{rank 0/100} MD step = 398900 step time: 00:00:00.020434 Performance: 312.454 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:00,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398900 39890 40.029 -39418 4387.2 -43805 -43805 -0.44611 0.8312 0.26332 1.9508e+05 2023-02-16 04:49:02,924 INFO [main.py:643]
{rank 0/100} MD step = 399000 step time: 00:00:00.020446 Performance: 312.457 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:03,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399000 39900 39.319 -39475 4309.4 -43784 -43784 -0.44515 0.83233 0.26311 1.9515e+05 2023-02-16 04:49:05,673 INFO [main.py:643]
{rank 0/100} MD step = 399100 step time: 00:00:00.020509 Performance: 312.458 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:06,533 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399100 39910 40.078 -39501 4392.6 -43894 -43894 -0.44431 0.83165 0.26244 1.952e+05 2023-02-16 04:49:08,597 INFO [main.py:643]
{rank 0/100} MD step = 399200 step time: 00:00:00.020396 Performance: 312.453 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:09,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399200 39920 40.529 -39440 4442 -43882 -43882 -0.44387 0.83179 0.26256 1.9524e+05 2023-02-16 04:49:11,304 INFO [main.py:643]
{rank 0/100} MD step = 399300 step time: 00:00:00.020569 Performance: 312.455 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:12,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399300 39930 40.024 -39432 4386.7 -43819 -43819 -0.44418 0.83287 0.26182 1.9529e+05 2023-02-16 04:49:14,071 INFO [main.py:643]
{rank 0/100} MD step = 399400 step time: 00:00:00.020495 Performance: 312.455 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:14,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399400 39940 40.019 -39455 4386.2 -43841 -43841 -0.44513 0.83431 0.26106 1.9534e+05 2023-02-16 04:49:16,798 INFO [main.py:643]
{rank 0/100} MD step = 399500 step time: 00:00:00.020378 Performance: 312.456 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:17,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399500 39950 39.593 -39527 4339.4 -43866 -43866 -0.44414 0.8341 0.26088 1.9538e+05 2023-02-16 04:49:19,525 INFO [main.py:643]
{rank 0/100} MD step = 399600 step time: 00:00:00.020509 Performance: 312.457 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:20,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399600 39960 39.967 -39452 4380.5 -43833 -43833 -0.44415 0.83444 0.26057 1.9543e+05 2023-02-16 04:49:22,274 INFO [main.py:643]
{rank 0/100} MD step = 399700 step time: 00:00:00.020651 Performance: 312.457 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:22,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399700 39970 39.862 -39479 4368.9 -43848 -43848 -0.44342 0.83354 0.26074 1.9548e+05 2023-02-16 04:49:24,986 INFO [main.py:643]
{rank 0/100} MD step = 399800 step time: 00:00:00.020484 Performance: 312.459 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:25,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399800 39980 39.283 -39492 4305.5 -43797 -43797 -0.44448 0.83376 0.26111 1.9552e+05 2023-02-16 04:49:27,778 INFO [main.py:643]
{rank 0/100} MD step = 399900 step time: 00:00:00.020599 Performance: 312.458 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:28,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399900 39990 39.983 -39506 4382.2 -43888 -43888 -0.4437 0.83333 0.2612 1.9557e+05 2023-02-16 04:49:30,658 INFO [main.py:643]
{rank 0/100} MD step = 400000 step time: 00:00:00.020441 Performance: 312.455 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:31,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400000 40000 40.054 -39475 4390 -43865 -43865 -0.44361 0.83359 0.26135 1.9564e+05 2023-02-16 04:49:33,394 INFO [main.py:643]
{rank 0/100} MD step = 400100 step time: 00:00:00.020413 Performance: 312.456 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:33,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400100 40010 39.951 -39480 4378.7 -43859 -43859 -0.44355 0.83332 0.26141 1.9569e+05 2023-02-16 04:49:36,130 INFO [main.py:643]
{rank 0/100} MD step = 400200 step time: 00:00:00.020348 Performance: 312.456 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:36,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400200 40020 40.614 -39444 4451.3 -43895 -43895 -0.44342 0.83356 0.26154 1.9572e+05 2023-02-16 04:49:38,850 INFO [main.py:643]
{rank 0/100} MD step = 400300 step time: 00:00:00.020400 Performance: 312.458 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:39,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400300 40030 40.226 -39486 4408.8 -43895 -43895 -0.44087 0.83402 0.26215 1.9577e+05 2023-02-16 04:49:41,680 INFO [main.py:643]
{rank 0/100} MD step = 400400 step time: 00:00:00.020422 Performance: 312.456 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:42,102 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400400 40040 40.197 -39363 4405.6 -43768 -43768 -0.43912 0.83551 0.26205 1.9584e+05 2023-02-16 04:49:44,484 INFO [main.py:643]
{rank 0/100} MD step = 400500 step time: 00:00:00.020517 Performance: 312.455 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:45,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400500 40050 39.671 -39540 4348 -43888 -43888 -0.43862 0.83561 0.26265 1.9588e+05 2023-02-16 04:49:47,151 INFO [main.py:643]
{rank 0/100} MD step = 400600 step time: 00:00:00.020891 Performance: 312.458 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:47,546 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400600 40060 40.17 -39382 4402.6 -43785 -43785 -0.43871 0.83534 0.26335 1.9594e+05 2023-02-16 04:49:49,865 INFO [main.py:643]
{rank 0/100} MD step = 400700 step time: 00:00:00.020312 Performance: 312.459 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:50,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400700 40070 40.16 -39438 4401.6 -43839 -43839 -0.43892 0.83608 0.2639 1.9597e+05 2023-02-16 04:49:52,556 INFO [main.py:643]
{rank 0/100} MD step = 400800 step time: 00:00:00.020349 Performance: 312.461 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:49:53,045 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400800 40080 40.158 -39434 4401.4 -43835 -43835 -0.43969 0.83656 0.26449 1.9604e+05 2023-02-16 04:49:55,283 INFO [main.py:643]
{rank 0/100} MD step = 400900 step time: 00:00:00.020486 Performance: 312.462 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:49:55,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400900 40090 39.66 -39491 4346.8 -43838 -43838 -0.43971 0.8371 0.26399 1.9608e+05 2023-02-16 04:49:58,023 INFO [main.py:643]
{rank 0/100} MD step = 401000 step time: 00:00:00.020552 Performance: 312.463 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:49:58,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401000 40100 40.121 -39434 4397.3 -43831 -43831 -0.43928 0.83809 0.26319 1.9612e+05 2023-02-16 04:50:00,776 INFO [main.py:643]
{rank 0/100} MD step = 401100 step time: 00:00:00.020380 Performance: 312.463 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:01,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401100 40110 40.69 -39357 4459.6 -43817 -43817 -0.43818 0.83717 0.2627 1.9617e+05 2023-02-16 04:50:03,506 INFO [main.py:643]
{rank 0/100} MD step = 401200 step time: 00:00:00.020384 Performance: 312.464 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:04,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401200 40120 40.158 -39373 4401.3 -43774 -43774 -0.43679 0.83832 0.26207 1.9624e+05 2023-02-16 04:50:06,237 INFO [main.py:643]
{rank 0/100} MD step = 401300 step time: 00:00:00.020469 Performance: 312.465 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:06,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401300 40130 40.282 -39500 4415 -43915 -43915 -0.43697 0.83854 0.26291 1.9627e+05 2023-02-16 04:50:08,931 INFO [main.py:643]
{rank 0/100} MD step = 401400 step time: 00:00:00.020421 Performance: 312.467 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:09,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401400 40140 39.688 -39448 4349.9 -43798 -43798 -0.43677 0.83833 0.26285 1.9633e+05 2023-02-16 04:50:11,674 INFO [main.py:643]
{rank 0/100} MD step = 401500 step time: 00:00:00.020529 Performance: 312.468 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:12,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401500 40150 39.901 -39577 4373.2 -43950 -43950 -0.43756 0.83812 0.26293 1.9637e+05 2023-02-16 04:50:14,429 INFO [main.py:643]
{rank 0/100} MD step = 401600 step time: 00:00:00.020508 Performance: 312.468 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:15,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401600 40160 40.201 -39348 4406.1 -43755 -43755 -0.43921 0.83846 0.26287 1.9644e+05 2023-02-16 04:50:17,205 INFO [main.py:643]
{rank 0/100} MD step = 401700 step time: 00:00:00.020493 Performance: 312.468 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:17,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401700 40170 39.874 -39541 4370.2 -43912 -43912 -0.44012 0.83814 0.26196 1.9647e+05 2023-02-16 04:50:19,976 INFO [main.py:643]
{rank 0/100} MD step = 401800 step time: 00:00:00.020472 Performance: 312.468 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:20,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401800 40180 39.621 -39492 4342.5 -43834 -43834 -0.44121 0.83791 0.26139 1.9654e+05 2023-02-16 04:50:22,850 INFO [main.py:643]
{rank 0/100} MD step = 401900 step time: 00:00:00.020368 Performance: 312.465 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:23,484 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401900 40190 39.923 -39390 4375.6 -43766 -43766 -0.43909 0.8381 0.26162 1.9658e+05 2023-02-16 04:50:25,644 INFO [main.py:643]
{rank 0/100} MD step = 402000 step time: 00:00:00.020448 Performance: 312.464 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:26,098 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402000 40200 39.474 -39510 4326.5 -43837 -43837 -0.43992 0.83837 0.26101 1.9664e+05 2023-02-16 04:50:28,447 INFO [main.py:643]
{rank 0/100} MD step = 402100 step time: 00:00:00.020424 Performance: 312.463 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:29,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402100 40210 40.348 -39368 4422.1 -43791 -43791 -0.43976 0.83788 0.26105 1.9668e+05 2023-02-16 04:50:31,130 INFO [main.py:643]
{rank 0/100} MD step = 402200 step time: 00:00:00.020627 Performance: 312.465 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:31,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402200 40220 39.696 -39544 4350.7 -43894 -43894 -0.44021 0.83831 0.26088 1.9671e+05 2023-02-16 04:50:33,793 INFO [main.py:643]
{rank 0/100} MD step = 402300 step time: 00:00:00.020450 Performance: 312.468 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:34,404 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402300 40230 39.908 -39422 4374 -43796 -43796 -0.43997 0.83822 0.26093 1.9676e+05 2023-02-16 04:50:36,537 INFO [main.py:643]
{rank 0/100} MD step = 402400 step time: 00:00:00.020442 Performance: 312.468 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:37,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402400 40240 39.582 -39497 4338.2 -43835 -43835 -0.44094 0.839 0.26099 1.9682e+05 2023-02-16 04:50:39,321 INFO [main.py:643]
{rank 0/100} MD step = 402500 step time: 00:00:00.020495 Performance: 312.468 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:40,071 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402500 40250 40.253 -39461 4411.8 -43873 -43873 -0.44115 0.83795 0.26031 1.9686e+05 2023-02-16 04:50:42,100 INFO [main.py:643]
{rank 0/100} MD step = 402600 step time: 00:00:00.020447 Performance: 312.468 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:42,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402600 40260 39.884 -39456 4371.3 -43828 -43828 -0.43951 0.83816 0.25984 1.9691e+05 2023-02-16 04:50:44,908 INFO [main.py:643]
{rank 0/100} MD step = 402700 step time: 00:00:00.020498 Performance: 312.466 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:45,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402700 40270 40.313 -39425 4418.3 -43844 -43844 -0.43877 0.83793 0.25939 1.9698e+05 2023-02-16 04:50:47,824 INFO [main.py:643]
{rank 0/100} MD step = 402800 step time: 00:00:00.020567 Performance: 312.462 ns/day 0.077 hours/ns 36.165 steps/s 2023-02-16 04:50:48,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402800 40280 40.064 -39460 4391 -43851 -43851 -0.43947 0.8382 0.25883 1.97e+05 2023-02-16 04:50:50,630 INFO [main.py:643]
{rank 0/100} MD step = 402900 step time: 00:00:00.020371 Performance: 312.461 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:50:51,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402900 40290 40.57 -39447 4446.6 -43894 -43894 -0.43971 0.83767 0.25838 1.9705e+05 2023-02-16 04:50:53,423 INFO [main.py:643]
{rank 0/100} MD step = 403000 step time: 00:00:00.020434 Performance: 312.460 ns/day 0.077 hours/ns 36.164 steps/s 2023-02-16 04:50:54,505 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403000 40300 40.686 -39331 4459.2 -43791 -43791 -0.44107 0.83829 0.25781 1.9709e+05 2023-02-16 04:50:56,540 INFO [main.py:643]
{rank 0/100} MD step = 403100 step time: 00:00:00.020329 Performance: 312.450 ns/day 0.077 hours/ns 36.163 steps/s 2023-02-16 04:50:57,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403100 40310 40.001 -39415 4384.1 -43800 -43800 -0.44056 0.83837 0.25731 1.9716e+05 2023-02-16 04:50:59,514 INFO [main.py:643]
{rank 0/100} MD step = 403200 step time: 00:00:00.020418 Performance: 312.444 ns/day 0.077 hours/ns 36.163 steps/s 2023-02-16 04:51:00,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403200 40320 40.605 -39450 4450.3 -43900 -43900 -0.44075 0.83929 0.25733 1.9719e+05 2023-02-16 04:51:02,453 INFO [main.py:643]
{rank 0/100} MD step = 403300 step time: 00:00:00.020492 Performance: 312.440 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:03,006 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403300 40330 39.506 -39502 4329.9 -43832 -43832 -0.43974 0.83872 0.25724 1.9723e+05 2023-02-16 04:51:05,114 INFO [main.py:643]
{rank 0/100} MD step = 403400 step time: 00:00:00.020424 Performance: 312.443 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:05,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403400 40340 40.244 -39388 4410.8 -43799 -43799 -0.43986 0.83888 0.2574 1.9729e+05 2023-02-16 04:51:08,025 INFO [main.py:643]
{rank 0/100} MD step = 403500 step time: 00:00:00.020328 Performance: 312.438 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:08,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403500 40350 39.982 -39475 4382.1 -43857 -43857 -0.43961 0.83856 0.25759 1.9733e+05 2023-02-16 04:51:10,854 INFO [main.py:643]
{rank 0/100} MD step = 403600 step time: 00:00:00.020488 Performance: 312.437 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:11,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403600 40360 39.854 -39422 4368 -43790 -43790 -0.43967 0.83889 0.25735 1.974e+05 2023-02-16 04:51:13,563 INFO [main.py:643]
{rank 0/100} MD step = 403700 step time: 00:00:00.020438 Performance: 312.438 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:14,286 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403700 40370 39.466 -39517 4325.6 -43843 -43843 -0.44004 0.83865 0.25757 1.9744e+05 2023-02-16 04:51:16,329 INFO [main.py:643]
{rank 0/100} MD step = 403800 step time: 00:00:00.020442 Performance: 312.438 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:16,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403800 40380 39.321 -39551 4309.6 -43860 -43860 -0.44063 0.83849 0.2578 1.9747e+05 2023-02-16 04:51:19,028 INFO [main.py:643]
{rank 0/100} MD step = 403900 step time: 00:00:00.020324 Performance: 312.440 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:19,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403900 40390 39.957 -39440 4379.4 -43819 -43819 -0.43967 0.8374 0.25766 1.9754e+05 2023-02-16 04:51:21,747 INFO [main.py:643]
{rank 0/100} MD step = 404000 step time: 00:00:00.020471 Performance: 312.441 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:22,249 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404000 40400 39.978 -39456 4381.7 -43838 -43838 -0.44001 0.83704 0.25796 1.9758e+05 2023-02-16 04:51:24,479 INFO [main.py:643]
{rank 0/100} MD step = 404100 step time: 00:00:00.023929 Performance: 312.442 ns/day 0.077 hours/ns 36.162 steps/s 2023-02-16 04:51:24,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404100 40410 40.013 -39447 4385.5 -43833 -43833 -0.43954 0.83683 0.25744 1.9761e+05 2023-02-16 04:51:27,612 INFO [main.py:643]
{rank 0/100} MD step = 404200 step time: 00:00:00.022678 Performance: 312.432 ns/day 0.077 hours/ns 36.161 steps/s 2023-02-16 04:51:28,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404200 40420 40.507 -39398 4439.6 -43837 -43837 -0.43875 0.83732 0.25864 1.9767e+05 2023-02-16 04:51:30,809 INFO [main.py:643]
{rank 0/100} MD step = 404300 step time: 00:00:00.020652 Performance: 312.420 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:31,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404300 40430 40.306 -39439 4417.6 -43857 -43857 -0.44025 0.83803 0.25803 1.9772e+05 2023-02-16 04:51:33,559 INFO [main.py:643]
{rank 0/100} MD step = 404400 step time: 00:00:00.020537 Performance: 312.420 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:34,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404400 40440 40.032 -39550 4387.5 -43938 -43938 -0.43995 0.83739 0.25879 1.9775e+05 2023-02-16 04:51:36,331 INFO [main.py:643]
{rank 0/100} MD step = 404500 step time: 00:00:00.020515 Performance: 312.420 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:37,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404500 40450 39.826 -39514 4365 -43879 -43879 -0.44026 0.83697 0.25904 1.978e+05 2023-02-16 04:51:39,151 INFO [main.py:643]
{rank 0/100} MD step = 404600 step time: 00:00:00.020464 Performance: 312.419 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:39,535 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404600 40460 40.167 -39390 4402.3 -43792 -43792 -0.44227 0.83699 0.25857 1.9786e+05 2023-02-16 04:51:41,836 INFO [main.py:643]
{rank 0/100} MD step = 404700 step time: 00:00:00.020522 Performance: 312.421 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:42,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404700 40470 40.348 -39398 4422.1 -43821 -43821 -0.44408 0.83662 0.2591 1.9791e+05 2023-02-16 04:51:44,559 INFO [main.py:643]
{rank 0/100} MD step = 404800 step time: 00:00:00.020474 Performance: 312.422 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:45,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404800 40480 40.859 -39246 4478.2 -43724 -43724 -0.44545 0.83688 0.25979 1.9796e+05 2023-02-16 04:51:47,321 INFO [main.py:643]
{rank 0/100} MD step = 404900 step time: 00:00:00.020370 Performance: 312.422 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:48,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404900 40490 40.092 -39363 4394.2 -43757 -43757 -0.44427 0.83699 0.2603 1.9801e+05 2023-02-16 04:51:50,126 INFO [main.py:643]
{rank 0/100} MD step = 405000 step time: 00:00:00.020542 Performance: 312.421 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:50,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405000 40500 40.343 -39389 4421.6 -43811 -43811 -0.44359 0.83704 0.26047 1.9804e+05 2023-02-16 04:51:53,004 INFO [main.py:643]
{rank 0/100} MD step = 405100 step time: 00:00:00.020490 Performance: 312.418 ns/day 0.077 hours/ns 36.159 steps/s 2023-02-16 04:51:53,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405100 40510 39.852 -39405 4367.8 -43773 -43773 -0.44279 0.83721 0.26042 1.9809e+05 2023-02-16 04:51:55,711 INFO [main.py:643]
{rank 0/100} MD step = 405200 step time: 00:00:00.020468 Performance: 312.420 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:56,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405200 40520 39.407 -39484 4319 -43803 -43803 -0.4426 0.83635 0.26123 1.9814e+05 2023-02-16 04:51:58,404 INFO [main.py:643]
{rank 0/100} MD step = 405300 step time: 00:00:00.021089 Performance: 312.422 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:51:58,967 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405300 40530 40.471 -39445 4435.6 -43881 -43881 -0.44212 0.83738 0.26125 1.9819e+05 2023-02-16 04:52:01,134 INFO [main.py:643]
{rank 0/100} MD step = 405400 step time: 00:00:00.020391 Performance: 312.423 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:01,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405400 40540 40.154 -39369 4400.9 -43770 -43770 -0.44172 0.83786 0.26098 1.9823e+05 2023-02-16 04:52:03,867 INFO [main.py:643]
{rank 0/100} MD step = 405500 step time: 00:00:00.020415 Performance: 312.424 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:04,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405500 40550 39.816 -39471 4363.9 -43835 -43835 -0.44112 0.83906 0.26087 1.9828e+05 2023-02-16 04:52:06,671 INFO [main.py:643]
{rank 0/100} MD step = 405600 step time: 00:00:00.020387 Performance: 312.422 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:07,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405600 40560 39.786 -39426 4360.6 -43786 -43786 -0.44157 0.83921 0.26136 1.9833e+05 2023-02-16 04:52:09,397 INFO [main.py:643]
{rank 0/100} MD step = 405700 step time: 00:00:00.020330 Performance: 312.424 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:10,014 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405700 40570 40.102 -39422 4395.2 -43817 -43817 -0.44165 0.8397 0.26116 1.9839e+05 2023-02-16 04:52:12,139 INFO [main.py:643]
{rank 0/100} MD step = 405800 step time: 00:00:00.020412 Performance: 312.424 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:12,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405800 40580 40.545 -39378 4443.8 -43822 -43822 -0.44166 0.84009 0.26009 1.9845e+05 2023-02-16 04:52:14,883 INFO [main.py:643]
{rank 0/100} MD step = 405900 step time: 00:00:00.020474 Performance: 312.425 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:15,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405900 40590 40.135 -39403 4398.8 -43802 -43802 -0.44211 0.84039 0.25973 1.9849e+05 2023-02-16 04:52:17,655 INFO [main.py:643]
{rank 0/100} MD step = 406000 step time: 00:00:00.020974 Performance: 312.425 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:18,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406000 40600 40.136 -39443 4399 -43842 -43842 -0.44162 0.84108 0.26022 1.9854e+05 2023-02-16 04:52:20,475 INFO [main.py:643]
{rank 0/100} MD step = 406100 step time: 00:00:00.020518 Performance: 312.423 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:21,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406100 40610 40.143 -39466 4399.7 -43865 -43865 -0.44183 0.84117 0.25889 1.9858e+05 2023-02-16 04:52:23,335 INFO [main.py:643]
{rank 0/100} MD step = 406200 step time: 00:00:00.021114 Performance: 312.420 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:23,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406200 40620 40.358 -39409 4423.3 -43833 -43833 -0.44386 0.84073 0.25846 1.9863e+05 2023-02-16 04:52:26,093 INFO [main.py:643]
{rank 0/100} MD step = 406300 step time: 00:00:00.020499 Performance: 312.421 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:26,769 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406300 40630 39.375 -39483 4315.6 -43799 -43799 -0.44366 0.84182 0.25849 1.9869e+05 2023-02-16 04:52:28,882 INFO [main.py:643]
{rank 0/100} MD step = 406400 step time: 00:00:00.020572 Performance: 312.420 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:29,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406400 40640 39.432 -39597 4321.8 -43919 -43919 -0.44354 0.84234 0.25895 1.9874e+05 2023-02-16 04:52:31,597 INFO [main.py:643]
{rank 0/100} MD step = 406500 step time: 00:00:00.020547 Performance: 312.421 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:32,353 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406500 40650 39.891 -39522 4372.1 -43894 -43894 -0.44446 0.84197 0.25972 1.9878e+05 2023-02-16 04:52:34,410 INFO [main.py:643]
{rank 0/100} MD step = 406600 step time: 00:00:00.020390 Performance: 312.420 ns/day 0.077 hours/ns 36.160 steps/s 2023-02-16 04:52:35,228 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406600 40660 40.309 -39436 4417.9 -43854 -43854 -0.44384 0.84303 0.25903 1.9882e+05 2023-02-16 04:52:37,258 INFO [main.py:643]
{rank 0/100} MD step = 406700 step time: 00:00:00.020383 Performance: 312.418 ns/day 0.077 hours/ns 36.159 steps/s 2023-02-16 04:52:37,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406700 40670 40.052 -39529 4389.7 -43919 -43919 -0.44433 0.84294 0.25958 1.9887e+05 2023-02-16 04:52:40,041 INFO [main.py:643]
{rank 0/100} MD step = 406800 step time: 00:00:00.020423 Performance: 312.417 ns/day 0.077 hours/ns 36.159 steps/s 2023-02-16 04:52:40,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406800 40680 39.624 -39497 4342.9 -43840 -43840 -0.44503 0.8447 0.25908 1.9893e+05 2023-02-16 04:52:42,808 INFO [main.py:643]
{rank 0/100} MD step = 406900 step time: 00:00:00.020374 Performance: 312.417 ns/day 0.077 hours/ns 36.159 steps/s 2023-02-16 04:52:43,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406900 40690 39.832 -39527 4365.7 -43893 -43893 -0.44568 0.84458 0.25967 1.9898e+05 2023-02-16 04:52:45,818 INFO [main.py:643]
{rank 0/100} MD step = 407000 step time: 00:00:00.020434 Performance: 312.411 ns/day 0.077 hours/ns 36.159 steps/s 2023-02-16 04:52:46,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407000 40700 39.786 -39453 4360.6 -43814 -43814 -0.44407 0.84513 0.25982 1.9903e+05 2023-02-16 04:52:48,659 INFO [main.py:643]
{rank 0/100} MD step = 407100 step time: 00:00:00.020711 Performance: 312.408 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:52:49,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407100 40710 40.867 -39326 4479.1 -43805 -43805 -0.44288 0.84631 0.2602 1.9908e+05 2023-02-16 04:52:51,929 INFO [main.py:643]
{rank 0/100} MD step = 407200 step time: 00:00:00.020294 Performance: 312.394 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:52:52,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407200 40720 39.789 -39405 4360.9 -43766 -43766 -0.44322 0.8467 0.25974 1.9913e+05 2023-02-16 04:52:54,765 INFO [main.py:643]
{rank 0/100} MD step = 407300 step time: 00:00:00.020510 Performance: 312.392 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:52:55,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407300 40730 39.645 -39439 4345.1 -43784 -43784 -0.44219 0.84658 0.25985 1.9919e+05 2023-02-16 04:52:57,647 INFO [main.py:643]
{rank 0/100} MD step = 407400 step time: 00:00:00.020486 Performance: 312.389 ns/day 0.077 hours/ns 36.156 steps/s 2023-02-16 04:52:58,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407400 40740 40.505 -39419 4439.4 -43859 -43859 -0.44212 0.84611 0.25911 1.9923e+05 2023-02-16 04:53:00,372 INFO [main.py:643]
{rank 0/100} MD step = 407500 step time: 00:00:00.020522 Performance: 312.390 ns/day 0.077 hours/ns 36.156 steps/s 2023-02-16 04:53:00,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407500 40750 39.727 -39504 4354.2 -43858 -43858 -0.44191 0.84629 0.25944 1.9929e+05 2023-02-16 04:53:03,093 INFO [main.py:643]
{rank 0/100} MD step = 407600 step time: 00:00:00.020708 Performance: 312.392 ns/day 0.077 hours/ns 36.156 steps/s 2023-02-16 04:53:03,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407600 40760 39.779 -39415 4359.8 -43775 -43775 -0.44138 0.84576 0.2596 1.9935e+05 2023-02-16 04:53:05,880 INFO [main.py:643]
{rank 0/100} MD step = 407700 step time: 00:00:00.020402 Performance: 312.391 ns/day 0.077 hours/ns 36.156 steps/s 2023-02-16 04:53:06,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407700 40770 39.371 -39535 4315.1 -43851 -43851 -0.44065 0.84579 0.26047 1.9939e+05 2023-02-16 04:53:08,580 INFO [main.py:643]
{rank 0/100} MD step = 407800 step time: 00:00:00.020548 Performance: 312.393 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:09,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407800 40780 39.758 -39521 4357.5 -43878 -43878 -0.44159 0.8463 0.26054 1.9944e+05 2023-02-16 04:53:11,225 INFO [main.py:643]
{rank 0/100} MD step = 407900 step time: 00:00:00.020525 Performance: 312.396 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:11,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407900 40790 40.05 -39458 4389.5 -43848 -43848 -0.44002 0.84605 0.26035 1.9949e+05 2023-02-16 04:53:13,912 INFO [main.py:643]
{rank 0/100} MD step = 408000 step time: 00:00:00.020428 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:14,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408000 40800 39.995 -39486 4383.5 -43869 -43869 -0.44159 0.84542 0.26064 1.9955e+05 2023-02-16 04:53:16,692 INFO [main.py:643]
{rank 0/100} MD step = 408100 step time: 00:00:00.020383 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:17,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408100 40810 40.259 -39374 4412.5 -43787 -43787 -0.44239 0.84688 0.2612 1.9959e+05 2023-02-16 04:53:19,455 INFO [main.py:643]
{rank 0/100} MD step = 408200 step time: 00:00:00.020337 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:20,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408200 40820 40.508 -39276 4439.7 -43716 -43716 -0.44197 0.84733 0.26125 1.9966e+05 2023-02-16 04:53:22,248 INFO [main.py:643]
{rank 0/100} MD step = 408300 step time: 00:00:00.020416 Performance: 312.397 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:22,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408300 40830 40.114 -39452 4396.5 -43848 -43848 -0.44119 0.84809 0.26134 1.997e+05 2023-02-16 04:53:24,964 INFO [main.py:643]
{rank 0/100} MD step = 408400 step time: 00:00:00.020421 Performance: 312.399 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:25,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408400 40840 39.851 -39385 4367.7 -43753 -43753 -0.44105 0.84812 0.26164 1.9976e+05 2023-02-16 04:53:27,816 INFO [main.py:643]
{rank 0/100} MD step = 408500 step time: 00:00:00.020435 Performance: 312.396 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:28,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408500 40850 40.286 -39402 4415.4 -43817 -43817 -0.44039 0.84849 0.26066 1.9981e+05 2023-02-16 04:53:30,576 INFO [main.py:643]
{rank 0/100} MD step = 408600 step time: 00:00:00.020546 Performance: 312.396 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:31,225 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408600 40860 40.571 -39423 4446.6 -43869 -43869 -0.4403 0.84862 0.26061 1.9985e+05 2023-02-16 04:53:33,281 INFO [main.py:643]
{rank 0/100} MD step = 408700 step time: 00:00:00.020479 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:33,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408700 40870 39.949 -39552 4378.4 -43931 -43931 -0.43993 0.8487 0.25959 1.9989e+05 2023-02-16 04:53:35,999 INFO [main.py:643]
{rank 0/100} MD step = 408800 step time: 00:00:00.020423 Performance: 312.399 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:53:36,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408800 40880 40.16 -39450 4401.6 -43852 -43852 -0.44037 0.84887 0.26006 1.9995e+05 2023-02-16 04:53:38,714 INFO [main.py:643]
{rank 0/100} MD step = 408900 step time: 00:00:00.020449 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:53:39,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408900 40890 40.214 -39351 4407.5 -43759 -43759 -0.44056 0.84973 0.25996 2e+05 2023-02-16 04:53:41,396 INFO [main.py:643]
{rank 0/100} MD step = 409000 step time: 00:00:00.020449 Performance: 312.403 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:53:42,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409000 40900 39.998 -39487 4383.8 -43871 -43871 -0.44159 0.85064 0.26062 2.0004e+05 2023-02-16 04:53:44,133 INFO [main.py:643]
{rank 0/100} MD step = 409100 step time: 00:00:00.020507 Performance: 312.404 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:53:44,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409100 40910 40.567 -39411 4446.2 -43858 -43858 -0.44069 0.85134 0.26034 2.0008e+05 2023-02-16 04:53:46,838 INFO [main.py:643]
{rank 0/100} MD step = 409200 step time: 00:00:00.020881 Performance: 312.406 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:53:47,562 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409200 40920 39.833 -39493 4365.7 -43859 -43859 -0.43942 0.8515 0.26052 2.0015e+05 2023-02-16 04:53:49,614 INFO [main.py:643]
{rank 0/100} MD step = 409300 step time: 00:00:00.020424 Performance: 312.405 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:53:50,332 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409300 40930 40.214 -39402 4407.5 -43809 -43809 -0.43938 0.85221 0.25933 2.0019e+05 2023-02-16 04:53:52,479 INFO [main.py:643]
{rank 0/100} MD step = 409400 step time: 00:00:00.020500 Performance: 312.403 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:53:53,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409400 40940 39.754 -39467 4357 -43824 -43824 -0.4393 0.85265 0.25876 2.0024e+05 2023-02-16 04:53:55,264 INFO [main.py:643]
{rank 0/100} MD step = 409500 step time: 00:00:00.020404 Performance: 312.402 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:53:55,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409500 40950 40.026 -39454 4386.9 -43841 -43841 -0.43907 0.85242 0.25925 2.0028e+05 2023-02-16 04:53:58,064 INFO [main.py:643]
{rank 0/100} MD step = 409600 step time: 00:00:00.020293 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:53:58,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409600 40960 39.762 -39419 4358 -43777 -43777 -0.43948 0.85269 0.25871 2.0033e+05 2023-02-16 04:54:00,895 INFO [main.py:643]
{rank 0/100} MD step = 409700 step time: 00:00:00.020357 Performance: 312.399 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:01,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409700 40970 39.965 -39513 4380.2 -43893 -43893 -0.43962 0.85255 0.25919 2.0037e+05 2023-02-16 04:54:03,643 INFO [main.py:643]
{rank 0/100} MD step = 409800 step time: 00:00:00.020466 Performance: 312.400 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:04,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409800 40980 40.65 -39404 4455.3 -43859 -43859 -0.43899 0.85304 0.25845 2.0042e+05 2023-02-16 04:54:06,363 INFO [main.py:643]
{rank 0/100} MD step = 409900 step time: 00:00:00.020438 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:06,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409900 40990 39.89 -39432 4371.9 -43804 -43804 -0.44155 0.85286 0.2579 2.0048e+05 2023-02-16 04:54:09,046 INFO [main.py:643]
{rank 0/100} MD step = 410000 step time: 00:00:00.020428 Performance: 312.403 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:09,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410000 41000 40.319 -39350 4419 -43769 -43769 -0.44206 0.8539 0.25791 2.0055e+05 2023-02-16 04:54:11,997 INFO [main.py:643]
{rank 0/100} MD step = 410100 step time: 00:00:00.020521 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:12,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410100 41010 40.326 -39391 4419.8 -43811 -43811 -0.44173 0.85407 0.25849 2.0058e+05 2023-02-16 04:54:14,764 INFO [main.py:643]
{rank 0/100} MD step = 410200 step time: 00:00:00.020394 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:15,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410200 41020 40.73 -39308 4464 -43772 -43772 -0.43992 0.85422 0.25911 2.0063e+05 2023-02-16 04:54:17,520 INFO [main.py:643]
{rank 0/100} MD step = 410300 step time: 00:00:00.020484 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:18,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410300 41030 40.081 -39493 4392.9 -43886 -43886 -0.44184 0.85388 0.25912 2.0068e+05 2023-02-16 04:54:20,273 INFO [main.py:643]
{rank 0/100} MD step = 410400 step time: 00:00:00.020414 Performance: 312.399 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:20,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410400 41040 40.233 -39491 4409.6 -43900 -43900 -0.44054 0.8539 0.25899 2.0074e+05 2023-02-16 04:54:23,042 INFO [main.py:643]
{rank 0/100} MD step = 410500 step time: 00:00:00.020576 Performance: 312.399 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:23,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410500 41050 40.051 -39528 4389.6 -43917 -43917 -0.43995 0.85494 0.25894 2.0078e+05 2023-02-16 04:54:25,771 INFO [main.py:643]
{rank 0/100} MD step = 410600 step time: 00:00:00.020507 Performance: 312.400 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:26,266 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410600 41060 40.361 -39427 4423.6 -43851 -43851 -0.43983 0.85582 0.25906 2.0083e+05 2023-02-16 04:54:28,482 INFO [main.py:643]
{rank 0/100} MD step = 410700 step time: 00:00:00.020433 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:29,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410700 41070 39.934 -39444 4376.8 -43821 -43821 -0.44104 0.85512 0.25958 2.0089e+05 2023-02-16 04:54:31,296 INFO [main.py:643]
{rank 0/100} MD step = 410800 step time: 00:00:00.020443 Performance: 312.400 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:54:31,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410800 41080 39.982 -39427 4382.1 -43810 -43810 -0.44164 0.85548 0.2597 2.0094e+05 2023-02-16 04:54:34,020 INFO [main.py:643]
{rank 0/100} MD step = 410900 step time: 00:00:00.020345 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:34,562 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410900 41090 40.294 -39456 4416.3 -43872 -43872 -0.44202 0.85611 0.25961 2.0098e+05 2023-02-16 04:54:36,766 INFO [main.py:643]
{rank 0/100} MD step = 411000 step time: 00:00:00.020564 Performance: 312.402 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:37,468 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411000 41100 40.221 -39442 4408.3 -43851 -43851 -0.44063 0.85614 0.26011 2.0102e+05 2023-02-16 04:54:39,512 INFO [main.py:643]
{rank 0/100} MD step = 411100 step time: 00:00:00.020483 Performance: 312.402 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:40,006 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411100 41110 39.703 -39470 4351.5 -43821 -43821 -0.44088 0.85725 0.25981 2.0107e+05 2023-02-16 04:54:42,224 INFO [main.py:643]
{rank 0/100} MD step = 411200 step time: 00:00:00.022739 Performance: 312.404 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:42,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411200 41120 40.095 -39478 4394.5 -43872 -43872 -0.44058 0.85727 0.25921 2.0113e+05 2023-02-16 04:54:44,966 INFO [main.py:643]
{rank 0/100} MD step = 411300 step time: 00:00:00.020379 Performance: 312.404 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:45,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411300 41130 39.694 -39468 4350.5 -43818 -43818 -0.4384 0.85696 0.25985 2.0119e+05 2023-02-16 04:54:47,758 INFO [main.py:643]
{rank 0/100} MD step = 411400 step time: 00:00:00.020511 Performance: 312.404 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:48,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411400 41140 40.179 -39447 4403.7 -43851 -43851 -0.4382 0.85664 0.25998 2.0124e+05 2023-02-16 04:54:50,434 INFO [main.py:643]
{rank 0/100} MD step = 411500 step time: 00:00:00.020630 Performance: 312.406 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:51,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411500 41150 40.072 -39442 4391.9 -43834 -43834 -0.43829 0.85714 0.26024 2.0129e+05 2023-02-16 04:54:53,194 INFO [main.py:643]
{rank 0/100} MD step = 411600 step time: 00:00:00.020482 Performance: 312.406 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:53,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411600 41160 40.394 -39404 4427.3 -43832 -43832 -0.43855 0.85737 0.26083 2.0135e+05 2023-02-16 04:54:55,971 INFO [main.py:643]
{rank 0/100} MD step = 411700 step time: 00:00:00.020451 Performance: 312.406 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:56,344 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411700 41170 39.897 -39490 4372.8 -43863 -43863 -0.43867 0.85803 0.25983 2.0141e+05 2023-02-16 04:54:58,667 INFO [main.py:643]
{rank 0/100} MD step = 411800 step time: 00:00:00.020333 Performance: 312.408 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:54:59,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411800 41180 39.895 -39541 4372.6 -43914 -43914 -0.43972 0.85856 0.25957 2.0145e+05 2023-02-16 04:55:01,462 INFO [main.py:643]
{rank 0/100} MD step = 411900 step time: 00:00:00.020436 Performance: 312.407 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:02,152 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411900 41190 40.412 -39475 4429.2 -43904 -43904 -0.43907 0.8591 0.25961 2.0152e+05 2023-02-16 04:55:04,217 INFO [main.py:643]
{rank 0/100} MD step = 412000 step time: 00:00:00.020381 Performance: 312.407 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:04,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412000 41200 40.133 -39548 4398.6 -43947 -43947 -0.4389 0.85928 0.26001 2.0156e+05 2023-02-16 04:55:07,018 INFO [main.py:643]
{rank 0/100} MD step = 412100 step time: 00:00:00.020430 Performance: 312.406 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:07,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412100 41210 40.283 -39405 4415 -43820 -43820 -0.43801 0.86026 0.26012 2.0161e+05 2023-02-16 04:55:09,739 INFO [main.py:643]
{rank 0/100} MD step = 412200 step time: 00:00:00.020486 Performance: 312.407 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:10,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412200 41220 39.929 -39462 4376.3 -43838 -43838 -0.43767 0.86085 0.26061 2.0165e+05 2023-02-16 04:55:12,496 INFO [main.py:643]
{rank 0/100} MD step = 412300 step time: 00:00:00.020619 Performance: 312.408 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:13,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412300 41230 39.706 -39480 4351.8 -43832 -43832 -0.43719 0.86085 0.26047 2.0169e+05 2023-02-16 04:55:15,487 INFO [main.py:643]
{rank 0/100} MD step = 412400 step time: 00:00:00.020330 Performance: 312.402 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:16,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412400 41240 40.076 -39428 4392.4 -43820 -43820 -0.43683 0.86062 0.26056 2.0174e+05 2023-02-16 04:55:18,268 INFO [main.py:643]
{rank 0/100} MD step = 412500 step time: 00:00:00.021884 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:18,686 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412500 41250 39.865 -39512 4369.3 -43881 -43881 -0.43811 0.86085 0.26079 2.018e+05 2023-02-16 04:55:21,054 INFO [main.py:643]
{rank 0/100} MD step = 412600 step time: 00:00:00.020380 Performance: 312.401 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:21,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412600 41260 39.737 -39431 4355.3 -43786 -43786 -0.43759 0.86082 0.26061 2.0185e+05 2023-02-16 04:55:23,831 INFO [main.py:643]
{rank 0/100} MD step = 412700 step time: 00:00:00.020468 Performance: 312.400 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:24,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412700 41270 39.728 -39497 4354.2 -43851 -43851 -0.43648 0.86094 0.26036 2.0189e+05 2023-02-16 04:55:26,580 INFO [main.py:643]
{rank 0/100} MD step = 412800 step time: 00:00:00.020472 Performance: 312.401 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:27,281 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412800 41280 39.825 -39494 4364.9 -43859 -43859 -0.43679 0.86087 0.26092 2.0195e+05 2023-02-16 04:55:29,331 INFO [main.py:643]
{rank 0/100} MD step = 412900 step time: 00:00:00.020376 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:30,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412900 41290 39.893 -39484 4372.3 -43856 -43856 -0.43674 0.86172 0.26101 2.0199e+05 2023-02-16 04:55:32,268 INFO [main.py:643]
{rank 0/100} MD step = 413000 step time: 00:00:00.020470 Performance: 312.396 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:32,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413000 41300 40.347 -39384 4422.1 -43806 -43806 -0.43436 0.86241 0.26074 2.0204e+05 2023-02-16 04:55:34,971 INFO [main.py:643]
{rank 0/100} MD step = 413100 step time: 00:00:00.020428 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:35,785 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413100 41310 39.914 -39477 4374.6 -43852 -43852 -0.43469 0.86188 0.2604 2.0209e+05 2023-02-16 04:55:37,971 INFO [main.py:643]
{rank 0/100} MD step = 413200 step time: 00:00:00.020570 Performance: 312.392 ns/day 0.077 hours/ns 36.156 steps/s 2023-02-16 04:55:38,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413200 41320 40.459 -39411 4434.4 -43845 -43845 -0.43522 0.86195 0.2597 2.0216e+05 2023-02-16 04:55:40,735 INFO [main.py:643]
{rank 0/100} MD step = 413300 step time: 00:00:00.020538 Performance: 312.392 ns/day 0.077 hours/ns 36.156 steps/s 2023-02-16 04:55:41,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413300 41330 39.426 -39439 4321.1 -43760 -43760 -0.43439 0.86205 0.26 2.0221e+05 2023-02-16 04:55:43,438 INFO [main.py:643]
{rank 0/100} MD step = 413400 step time: 00:00:00.020505 Performance: 312.394 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:44,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413400 41340 39.96 -39464 4379.6 -43843 -43843 -0.43484 0.86241 0.26022 2.0225e+05 2023-02-16 04:55:46,117 INFO [main.py:643]
{rank 0/100} MD step = 413500 step time: 00:00:00.020547 Performance: 312.396 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:46,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413500 41350 41.23 -39321 4518.8 -43840 -43840 -0.43393 0.8627 0.26084 2.0231e+05 2023-02-16 04:55:48,805 INFO [main.py:643]
{rank 0/100} MD step = 413600 step time: 00:00:00.020491 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:49,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413600 41360 39.852 -39511 4367.9 -43878 -43878 -0.43317 0.86264 0.26083 2.0235e+05 2023-02-16 04:55:51,561 INFO [main.py:643]
{rank 0/100} MD step = 413700 step time: 00:00:00.020670 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:55:52,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413700 41370 39.764 -39564 4358.1 -43922 -43922 -0.43252 0.86235 0.26149 2.024e+05 2023-02-16 04:55:54,225 INFO [main.py:643]
{rank 0/100} MD step = 413800 step time: 00:00:00.020299 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:54,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413800 41380 40.319 -39392 4419 -43811 -43811 -0.43197 0.86234 0.2617 2.0246e+05 2023-02-16 04:55:56,993 INFO [main.py:643]
{rank 0/100} MD step = 413900 step time: 00:00:00.020653 Performance: 312.401 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:55:57,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413900 41390 40.09 -39469 4394 -43863 -43863 -0.43094 0.86281 0.26112 2.0252e+05 2023-02-16 04:55:59,672 INFO [main.py:643]
{rank 0/100} MD step = 414000 step time: 00:00:00.020837 Performance: 312.403 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:56:00,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414000 41400 39.559 -39539 4335.7 -43875 -43875 -0.43155 0.86399 0.26141 2.0256e+05 2023-02-16 04:56:02,428 INFO [main.py:643]
{rank 0/100} MD step = 414100 step time: 00:00:00.020396 Performance: 312.404 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:56:03,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414100 41410 40.022 -39418 4386.5 -43805 -43805 -0.43093 0.86462 0.26131 2.0262e+05 2023-02-16 04:56:05,259 INFO [main.py:643]
{rank 0/100} MD step = 414200 step time: 00:00:00.020351 Performance: 312.402 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:56:05,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414200 41420 40.384 -39363 4426.1 -43789 -43789 -0.43059 0.86524 0.26165 2.0266e+05 2023-02-16 04:56:08,022 INFO [main.py:643]
{rank 0/100} MD step = 414300 step time: 00:00:00.020627 Performance: 312.402 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:56:08,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414300 41430 39.505 -39456 4329.8 -43786 -43786 -0.4292 0.86441 0.26139 2.0272e+05 2023-02-16 04:56:10,764 INFO [main.py:643]
{rank 0/100} MD step = 414400 step time: 00:00:00.020282 Performance: 312.403 ns/day 0.077 hours/ns 36.158 steps/s 2023-02-16 04:56:11,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414400 41440 39.886 -39537 4371.5 -43909 -43909 -0.42771 0.86494 0.26208 2.0275e+05 2023-02-16 04:56:13,722 INFO [main.py:643]
{rank 0/100} MD step = 414500 step time: 00:00:00.023061 Performance: 312.397 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:56:14,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414500 41450 39.497 -39551 4328.9 -43880 -43880 -0.42777 0.86516 0.26201 2.0281e+05 2023-02-16 04:56:16,476 INFO [main.py:643]
{rank 0/100} MD step = 414600 step time: 00:00:00.020403 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:56:17,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414600 41460 39.306 -39516 4308 -43824 -43824 -0.42881 0.86441 0.2617 2.0286e+05 2023-02-16 04:56:19,234 INFO [main.py:643]
{rank 0/100} MD step = 414700 step time: 00:00:00.020483 Performance: 312.398 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:56:19,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414700 41470 40.44 -39437 4432.2 -43869 -43869 -0.42922 0.86413 0.26045 2.0291e+05 2023-02-16 04:56:21,911 INFO [main.py:643]
{rank 0/100} MD step = 414800 step time: 00:00:00.020284 Performance: 312.400 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:56:22,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414800 41480 39.576 -39532 4337.6 -43870 -43870 -0.43094 0.86416 0.25996 2.0296e+05 2023-02-16 04:56:24,710 INFO [main.py:643]
{rank 0/100} MD step = 414900 step time: 00:00:00.020338 Performance: 312.399 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:56:25,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414900 41490 40.002 -39461 4384.3 -43845 -43845 -0.43117 0.86423 0.26052 2.0301e+05 2023-02-16 04:56:27,547 INFO [main.py:643]
{rank 0/100} MD step = 415000 step time: 00:00:00.020407 Performance: 312.397 ns/day 0.077 hours/ns 36.157 steps/s 2023-02-16 04:56:30,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415000 41500 40.148 -39425 4400.3 -43825 -43825 -0.43289 0.86424 0.25985 2.0306e+05 2023-02-16 04:56:32,624 INFO [main.py:643]
{rank 0/100} MD step = 415100 step time: 00:00:00.020477 Performance: 312.335 ns/day 0.077 hours/ns 36.150 steps/s 2023-02-16 04:56:33,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415100 41510 39.936 -39495 4377 -43872 -43872 -0.43061 0.86472 0.25999 2.031e+05 2023-02-16 04:56:35,712 INFO [main.py:643]
{rank 0/100} MD step = 415200 step time: 00:00:00.020396 Performance: 312.326 ns/day 0.077 hours/ns 36.149 steps/s 2023-02-16 04:56:37,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415200 41520 40.075 -39535 4392.3 -43927 -43927 -0.43037 0.86623 0.25898 2.0315e+05 2023-02-16 04:56:40,615 INFO [main.py:643]
{rank 0/100} MD step = 415300 step time: 00:00:00.020412 Performance: 312.268 ns/day 0.077 hours/ns 36.142 steps/s 2023-02-16 04:56:41,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415300 41530 39.996 -39464 4383.6 -43847 -43847 -0.42956 0.8663 0.2596 2.0321e+05 2023-02-16 04:56:43,387 INFO [main.py:643]
{rank 0/100} MD step = 415400 step time: 00:00:00.020468 Performance: 312.268 ns/day 0.077 hours/ns 36.142 steps/s 2023-02-16 04:56:44,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415400 41540 40.305 -39467 4417.4 -43885 -43885 -0.42875 0.86672 0.25976 2.0326e+05 2023-02-16 04:56:46,244 INFO [main.py:643]
{rank 0/100} MD step = 415500 step time: 00:00:00.020323 Performance: 312.265 ns/day 0.077 hours/ns 36.142 steps/s 2023-02-16 04:56:46,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415500 41550 39.706 -39434 4351.8 -43786 -43786 -0.42964 0.86704 0.25978 2.0333e+05 2023-02-16 04:56:48,983 INFO [main.py:643]
{rank 0/100} MD step = 415600 step time: 00:00:00.020526 Performance: 312.266 ns/day 0.077 hours/ns 36.142 steps/s 2023-02-16 04:56:52,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415600 41560 39.242 -39608 4301 -43909 -43909 -0.4305 0.86654 0.26101 2.0336e+05 2023-02-16 04:56:54,210 INFO [main.py:643]
{rank 0/100} MD step = 415700 step time: 00:00:00.020403 Performance: 312.199 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:56:54,957 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415700 41570 40.204 -39394 4406.4 -43800 -43800 -0.43138 0.86675 0.26215 2.0343e+05 2023-02-16 04:56:57,107 INFO [main.py:643]
{rank 0/100} MD step = 415800 step time: 00:00:00.020344 Performance: 312.196 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:56:57,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415800 41580 40.196 -39384 4405.6 -43789 -43789 -0.43096 0.86708 0.26185 2.0349e+05 2023-02-16 04:56:59,977 INFO [main.py:643]
{rank 0/100} MD step = 415900 step time: 00:00:00.020523 Performance: 312.193 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:00,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415900 41590 39.74 -39471 4355.6 -43827 -43827 -0.43233 0.86641 0.26161 2.0354e+05 2023-02-16 04:57:02,686 INFO [main.py:643]
{rank 0/100} MD step = 416000 step time: 00:00:00.021328 Performance: 312.194 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:57:03,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416000 41600 40.24 -39456 4410.3 -43867 -43867 -0.43201 0.867 0.26251 2.0356e+05 2023-02-16 04:57:05,430 INFO [main.py:643]
{rank 0/100} MD step = 416100 step time: 00:00:00.020756 Performance: 312.195 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:57:05,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416100 41610 40.583 -39390 4447.9 -43838 -43838 -0.43143 0.8668 0.264 2.0362e+05 2023-02-16 04:57:08,206 INFO [main.py:643]
{rank 0/100} MD step = 416200 step time: 00:00:00.021842 Performance: 312.195 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:57:08,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416200 41620 39.859 -39473 4368.6 -43841 -43841 -0.43279 0.867 0.26389 2.0366e+05 2023-02-16 04:57:10,931 INFO [main.py:643]
{rank 0/100} MD step = 416300 step time: 00:00:00.020398 Performance: 312.196 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:57:11,597 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416300 41630 40.096 -39450 4394.5 -43844 -43844 -0.43324 0.86765 0.2633 2.0371e+05 2023-02-16 04:57:13,631 INFO [main.py:643]
{rank 0/100} MD step = 416400 step time: 00:00:00.020526 Performance: 312.198 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:57:14,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416400 41640 40.899 -39384 4482.5 -43866 -43866 -0.43352 0.86813 0.26271 2.0375e+05 2023-02-16 04:57:16,426 INFO [main.py:643]
{rank 0/100} MD step = 416500 step time: 00:00:00.020532 Performance: 312.197 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:57:17,095 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416500 41650 40.01 -39403 4385.1 -43788 -43788 -0.43237 0.86797 0.26213 2.038e+05 2023-02-16 04:57:19,275 INFO [main.py:643]
{rank 0/100} MD step = 416600 step time: 00:00:00.020485 Performance: 312.195 ns/day 0.077 hours/ns 36.134 steps/s 2023-02-16 04:57:20,272 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416600 41660 39.951 -39562 4378.7 -43941 -43941 -0.43191 0.86872 0.26301 2.0384e+05 2023-02-16 04:57:22,318 INFO [main.py:643]
{rank 0/100} MD step = 416700 step time: 00:00:00.020499 Performance: 312.187 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:23,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416700 41670 39.361 -39543 4314 -43857 -43857 -0.43181 0.869 0.26262 2.0391e+05 2023-02-16 04:57:25,195 INFO [main.py:643]
{rank 0/100} MD step = 416800 step time: 00:00:00.020365 Performance: 312.184 ns/day 0.077 hours/ns 36.132 steps/s 2023-02-16 04:57:25,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416800 41680 39.553 -39510 4335.1 -43845 -43845 -0.43071 0.86923 0.26251 2.0395e+05 2023-02-16 04:57:27,992 INFO [main.py:643]
{rank 0/100} MD step = 416900 step time: 00:00:00.020357 Performance: 312.184 ns/day 0.077 hours/ns 36.132 steps/s 2023-02-16 04:57:28,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416900 41690 40.069 -39465 4391.6 -43856 -43856 -0.43077 0.86989 0.26162 2.0401e+05 2023-02-16 04:57:30,713 INFO [main.py:643]
{rank 0/100} MD step = 417000 step time: 00:00:00.020462 Performance: 312.185 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:31,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417000 41700 40.147 -39387 4400.2 -43787 -43787 -0.43241 0.86965 0.26118 2.0406e+05 2023-02-16 04:57:33,444 INFO [main.py:643]
{rank 0/100} MD step = 417100 step time: 00:00:00.020669 Performance: 312.186 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:34,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417100 41710 40.028 -39430 4387.1 -43817 -43817 -0.43181 0.87037 0.26072 2.041e+05 2023-02-16 04:57:36,189 INFO [main.py:643]
{rank 0/100} MD step = 417200 step time: 00:00:00.020468 Performance: 312.186 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:37,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417200 41720 39.953 -39463 4378.9 -43842 -43842 -0.43147 0.86997 0.26112 2.0415e+05 2023-02-16 04:57:39,072 INFO [main.py:643]
{rank 0/100} MD step = 417300 step time: 00:00:00.020420 Performance: 312.183 ns/day 0.077 hours/ns 36.132 steps/s 2023-02-16 04:57:39,730 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417300 41730 40.053 -39431 4389.8 -43821 -43821 -0.43191 0.86915 0.26078 2.0421e+05 2023-02-16 04:57:41,772 INFO [main.py:643]
{rank 0/100} MD step = 417400 step time: 00:00:00.020410 Performance: 312.185 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:42,131 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417400 41740 39.839 -39434 4366.4 -43800 -43800 -0.43294 0.86997 0.25971 2.0426e+05 2023-02-16 04:57:44,433 INFO [main.py:643]
{rank 0/100} MD step = 417500 step time: 00:00:00.020429 Performance: 312.188 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:45,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417500 41750 40.069 -39413 4391.6 -43804 -43804 -0.43444 0.86963 0.26125 2.0432e+05 2023-02-16 04:57:47,147 INFO [main.py:643]
{rank 0/100} MD step = 417600 step time: 00:00:00.020835 Performance: 312.189 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:47,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417600 41760 39.713 -39499 4352.6 -43851 -43851 -0.43469 0.86959 0.26089 2.0437e+05 2023-02-16 04:57:49,960 INFO [main.py:643]
{rank 0/100} MD step = 417700 step time: 00:00:00.020530 Performance: 312.188 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:50,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417700 41770 39.656 -39538 4346.4 -43885 -43885 -0.43463 0.86963 0.26112 2.0441e+05 2023-02-16 04:57:52,756 INFO [main.py:643]
{rank 0/100} MD step = 417800 step time: 00:00:00.020525 Performance: 312.188 ns/day 0.077 hours/ns 36.133 steps/s 2023-02-16 04:57:53,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417800 41780 40.029 -39402 4387.2 -43789 -43789 -0.43662 0.87053 0.26188 2.0447e+05 2023-02-16 04:57:55,853 INFO [main.py:643]
{rank 0/100} MD step = 417900 step time: 00:00:00.020515 Performance: 312.179 ns/day 0.077 hours/ns 36.132 steps/s 2023-02-16 04:57:56,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417900 41790 39.972 -39353 4380.9 -43734 -43734 -0.43598 0.87133 0.26214 2.0452e+05 2023-02-16 04:57:58,643 INFO [main.py:643]
{rank 0/100} MD step = 418000 step time: 00:00:00.020490 Performance: 312.178 ns/day 0.077 hours/ns 36.132 steps/s 2023-02-16 04:58:00,648 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418000 41800 40.16 -39467 4401.6 -43869 -43869 -0.43728 0.87174 0.26308 2.0456e+05 2023-02-16 04:58:03,255 INFO [main.py:643]
{rank 0/100} MD step = 418100 step time: 00:00:00.020463 Performance: 312.128 ns/day 0.077 hours/ns 36.126 steps/s 2023-02-16 04:58:03,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418100 41810 39.633 -39508 4343.8 -43852 -43852 -0.43776 0.87247 0.26226 2.046e+05 2023-02-16 04:58:06,022 INFO [main.py:643]
{rank 0/100} MD step = 418200 step time: 00:00:00.020487 Performance: 312.128 ns/day 0.077 hours/ns 36.126 steps/s 2023-02-16 04:58:06,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418200 41820 40.25 -39383 4411.5 -43795 -43795 -0.43713 0.87298 0.26354 2.0465e+05 2023-02-16 04:58:08,847 INFO [main.py:643]
{rank 0/100} MD step = 418300 step time: 00:00:00.020485 Performance: 312.127 ns/day 0.077 hours/ns 36.126 steps/s 2023-02-16 04:58:09,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418300 41830 40.139 -39423 4399.3 -43823 -43823 -0.43604 0.87319 0.26291 2.0471e+05 2023-02-16 04:58:11,545 INFO [main.py:643]
{rank 0/100} MD step = 418400 step time: 00:00:00.020462 Performance: 312.129 ns/day 0.077 hours/ns 36.126 steps/s 2023-02-16 04:58:13,581 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418400 41840 40.202 -39419 4406.2 -43825 -43825 -0.43609 0.87275 0.26238 2.0476e+05 2023-02-16 04:58:15,619 INFO [main.py:643]
{rank 0/100} MD step = 418500 step time: 00:00:00.020462 Performance: 312.093 ns/day 0.077 hours/ns 36.122 steps/s 2023-02-16 04:58:17,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418500 41850 39.866 -39529 4369.4 -43898 -43898 -0.43766 0.87376 0.26282 2.048e+05 2023-02-16 04:58:19,803 INFO [main.py:643]
{rank 0/100} MD step = 418600 step time: 00:00:00.020669 Performance: 312.055 ns/day 0.077 hours/ns 36.118 steps/s 2023-02-16 04:58:20,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418600 41860 39.764 -39477 4358.2 -43835 -43835 -0.43765 0.87347 0.26312 2.0485e+05 2023-02-16 04:58:22,615 INFO [main.py:643]
{rank 0/100} MD step = 418700 step time: 00:00:00.020375 Performance: 312.054 ns/day 0.077 hours/ns 36.117 steps/s 2023-02-16 04:58:23,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418700 41870 39.467 -39509 4325.7 -43834 -43834 -0.43948 0.87287 0.26361 2.049e+05 2023-02-16 04:58:25,893 INFO [main.py:643]
{rank 0/100} MD step = 418800 step time: 00:00:00.020553 Performance: 312.040 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 04:58:26,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418800 41880 40.559 -39325 4445.3 -43771 -43771 -0.43791 0.87281 0.26393 2.0495e+05 2023-02-16 04:58:28,697 INFO [main.py:643]
{rank 0/100} MD step = 418900 step time: 00:00:00.020480 Performance: 312.040 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 04:58:29,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418900 41890 39.581 -39539 4338.1 -43877 -43877 -0.43919 0.87233 0.26365 2.0499e+05 2023-02-16 04:58:31,454 INFO [main.py:643]
{rank 0/100} MD step = 419000 step time: 00:00:00.020320 Performance: 312.040 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 04:58:31,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419000 41900 40.407 -39330 4428.7 -43758 -43758 -0.4382 0.87242 0.2637 2.0506e+05 2023-02-16 04:58:34,208 INFO [main.py:643]
{rank 0/100} MD step = 419100 step time: 00:00:00.020488 Performance: 312.040 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 04:58:34,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419100 41910 39.962 -39578 4379.9 -43958 -43958 -0.43725 0.87324 0.26343 2.051e+05 2023-02-16 04:58:36,955 INFO [main.py:643]
{rank 0/100} MD step = 419200 step time: 00:00:00.020438 Performance: 312.041 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 04:58:37,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419200 41920 39.752 -39359 4356.8 -43716 -43716 -0.43783 0.87296 0.26302 2.0515e+05 2023-02-16 04:58:39,922 INFO [main.py:643]
{rank 0/100} MD step = 419300 step time: 00:00:00.020419 Performance: 312.035 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 04:58:40,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419300 41930 39.771 -39516 4358.9 -43875 -43875 -0.43842 0.87325 0.26348 2.0521e+05 2023-02-16 04:58:42,665 INFO [main.py:643]
{rank 0/100} MD step = 419400 step time: 00:00:00.020480 Performance: 312.036 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 04:58:43,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419400 41940 39.384 -39528 4316.6 -43844 -43844 -0.43926 0.87422 0.26459 2.0526e+05 2023-02-16 04:58:45,479 INFO [main.py:643]
{rank 0/100} MD step = 419500 step time: 00:00:00.020373 Performance: 312.035 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 04:58:46,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419500 41950 40.148 -39424 4400.2 -43825 -43825 -0.43949 0.87331 0.26473 2.0529e+05 2023-02-16 04:58:48,253 INFO [main.py:643]
{rank 0/100} MD step = 419600 step time: 00:00:00.022113 Performance: 312.035 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 04:58:48,919 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419600 41960 39.987 -39434 4382.7 -43817 -43817 -0.43982 0.87373 0.26493 2.0536e+05 2023-02-16 04:58:51,069 INFO [main.py:643]
{rank 0/100} MD step = 419700 step time: 00:00:00.020470 Performance: 312.034 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 04:58:51,980 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419700 41970 39.443 -39521 4323 -43844 -43844 -0.44036 0.8731 0.26435 2.0541e+05 2023-02-16 04:58:54,036 INFO [main.py:643]
{rank 0/100} MD step = 419800 step time: 00:00:00.020499 Performance: 312.028 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:58:54,677 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419800 41980 39.794 -39505 4361.5 -43867 -43867 -0.44081 0.87317 0.26461 2.0545e+05 2023-02-16 04:58:56,780 INFO [main.py:643]
{rank 0/100} MD step = 419900 step time: 00:00:00.020372 Performance: 312.029 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:58:57,468 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419900 41990 39.969 -39468 4380.6 -43849 -43849 -0.44071 0.87354 0.26469 2.055e+05 2023-02-16 04:58:59,673 INFO [main.py:643]
{rank 0/100} MD step = 420000 step time: 00:00:00.020393 Performance: 312.026 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:00,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420000 42000 39.739 -39480 4355.4 -43836 -43836 -0.44033 0.87371 0.26392 2.0554e+05 2023-02-16 04:59:02,449 INFO [main.py:643]
{rank 0/100} MD step = 420100 step time: 00:00:00.020454 Performance: 312.025 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:03,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420100 42010 40.339 -39467 4421.2 -43888 -43888 -0.43844 0.87426 0.2635 2.0559e+05 2023-02-16 04:59:05,152 INFO [main.py:643]
{rank 0/100} MD step = 420200 step time: 00:00:00.020456 Performance: 312.027 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:05,618 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420200 42020 40.182 -39455 4404 -43859 -43859 -0.43846 0.8742 0.26339 2.0565e+05 2023-02-16 04:59:07,980 INFO [main.py:643]
{rank 0/100} MD step = 420300 step time: 00:00:00.020724 Performance: 312.026 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:08,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420300 42030 39.793 -39481 4361.3 -43843 -43843 -0.43848 0.87393 0.26333 2.057e+05 2023-02-16 04:59:10,742 INFO [main.py:643]
{rank 0/100} MD step = 420400 step time: 00:00:00.020431 Performance: 312.026 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:11,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420400 42040 39.211 -39488 4297.6 -43786 -43786 -0.439 0.87433 0.26301 2.0576e+05 2023-02-16 04:59:13,457 INFO [main.py:643]
{rank 0/100} MD step = 420500 step time: 00:00:00.020635 Performance: 312.027 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:14,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420500 42050 39.68 -39493 4348.9 -43842 -43842 -0.43993 0.87491 0.26297 2.0581e+05 2023-02-16 04:59:16,201 INFO [main.py:643]
{rank 0/100} MD step = 420600 step time: 00:00:00.020396 Performance: 312.028 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:16,769 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420600 42060 40.098 -39426 4394.8 -43821 -43821 -0.43846 0.87511 0.26329 2.0584e+05 2023-02-16 04:59:18,916 INFO [main.py:643]
{rank 0/100} MD step = 420700 step time: 00:00:00.020491 Performance: 312.029 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 04:59:19,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420700 42070 39.841 -39522 4366.7 -43889 -43889 -0.43993 0.87559 0.26234 2.0589e+05 2023-02-16 04:59:21,683 INFO [main.py:643]
{rank 0/100} MD step = 420800 step time: 00:00:00.020581 Performance: 312.029 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 04:59:22,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420800 42080 40.654 -39334 4455.7 -43790 -43790 -0.43873 0.87584 0.26188 2.0595e+05 2023-02-16 04:59:24,513 INFO [main.py:643]
{rank 0/100} MD step = 420900 step time: 00:00:00.020498 Performance: 312.028 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:24,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420900 42090 40.139 -39431 4399.3 -43831 -43831 -0.43818 0.87569 0.26188 2.06e+05 2023-02-16 04:59:27,393 INFO [main.py:643]
{rank 0/100} MD step = 421000 step time: 00:00:00.020343 Performance: 312.025 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:28,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421000 42100 39.83 -39484 4365.4 -43850 -43850 -0.44031 0.87564 0.26222 2.0604e+05 2023-02-16 04:59:30,200 INFO [main.py:643]
{rank 0/100} MD step = 421100 step time: 00:00:00.020367 Performance: 312.024 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:30,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421100 42110 40.369 -39354 4424.5 -43779 -43779 -0.44012 0.87577 0.26215 2.061e+05 2023-02-16 04:59:33,058 INFO [main.py:643]
{rank 0/100} MD step = 421200 step time: 00:00:00.020760 Performance: 312.021 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:33,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421200 42120 39.427 -39497 4321.2 -43818 -43818 -0.4402 0.87609 0.26273 2.0615e+05 2023-02-16 04:59:35,832 INFO [main.py:643]
{rank 0/100} MD step = 421300 step time: 00:00:00.020623 Performance: 312.021 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:36,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421300 42130 40.084 -39492 4393.2 -43885 -43885 -0.4397 0.87619 0.26297 2.062e+05 2023-02-16 04:59:38,612 INFO [main.py:643]
{rank 0/100} MD step = 421400 step time: 00:00:00.020448 Performance: 312.021 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:39,261 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421400 42140 40.177 -39422 4403.5 -43825 -43825 -0.43948 0.87724 0.26205 2.0623e+05 2023-02-16 04:59:41,315 INFO [main.py:643]
{rank 0/100} MD step = 421500 step time: 00:00:00.020453 Performance: 312.023 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:41,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421500 42150 40.31 -39462 4418.1 -43880 -43880 -0.43848 0.87746 0.2627 2.0629e+05 2023-02-16 04:59:44,017 INFO [main.py:643]
{rank 0/100} MD step = 421600 step time: 00:00:00.020590 Performance: 312.025 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:44,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421600 42160 40.048 -39436 4389.3 -43825 -43825 -0.43885 0.87713 0.2637 2.0634e+05 2023-02-16 04:59:46,760 INFO [main.py:643]
{rank 0/100} MD step = 421700 step time: 00:00:00.020408 Performance: 312.025 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:47,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421700 42170 39.538 -39510 4333.4 -43843 -43843 -0.43947 0.87716 0.26393 2.0638e+05 2023-02-16 04:59:49,519 INFO [main.py:643]
{rank 0/100} MD step = 421800 step time: 00:00:00.020456 Performance: 312.026 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:50,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421800 42180 40.029 -39451 4387.3 -43839 -43839 -0.44025 0.87746 0.26325 2.0643e+05 2023-02-16 04:59:52,217 INFO [main.py:643]
{rank 0/100} MD step = 421900 step time: 00:00:00.020405 Performance: 312.027 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 04:59:53,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421900 42190 40.244 -39399 4410.7 -43810 -43810 -0.43981 0.87837 0.2633 2.0648e+05 2023-02-16 04:59:55,270 INFO [main.py:643]
{rank 0/100} MD step = 422000 step time: 00:00:00.020307 Performance: 312.020 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 04:59:55,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422000 42200 40.173 -39474 4403.1 -43877 -43877 -0.43925 0.87857 0.26474 2.0652e+05 2023-02-16 04:59:58,087 INFO [main.py:643]
{rank 0/100} MD step = 422100 step time: 00:00:00.020507 Performance: 312.019 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 04:59:58,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422100 42210 40.296 -39408 4416.5 -43824 -43824 -0.43913 0.87848 0.26481 2.0656e+05 2023-02-16 05:00:00,785 INFO [main.py:643]
{rank 0/100} MD step = 422200 step time: 00:00:00.020534 Performance: 312.020 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:01,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422200 42220 40.164 -39454 4402.1 -43856 -43856 -0.44005 0.87809 0.26546 2.0661e+05 2023-02-16 05:00:03,531 INFO [main.py:643]
{rank 0/100} MD step = 422300 step time: 00:00:00.020352 Performance: 312.021 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:00:04,229 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422300 42230 39.954 -39469 4379 -43848 -43848 -0.43947 0.87907 0.26463 2.0667e+05 2023-02-16 05:00:06,275 INFO [main.py:643]
{rank 0/100} MD step = 422400 step time: 00:00:00.020384 Performance: 312.022 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:00:06,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422400 42240 39.837 -39458 4366.2 -43825 -43825 -0.43951 0.87987 0.26455 2.067e+05 2023-02-16 05:00:09,042 INFO [main.py:643]
{rank 0/100} MD step = 422500 step time: 00:00:00.020521 Performance: 312.022 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:00:09,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422500 42250 39.974 -39456 4381.2 -43837 -43837 -0.43895 0.8794 0.26433 2.0675e+05 2023-02-16 05:00:11,834 INFO [main.py:643]
{rank 0/100} MD step = 422600 step time: 00:00:00.020476 Performance: 312.021 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:00:12,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422600 42260 39.781 -39441 4360 -43801 -43801 -0.44016 0.88034 0.2644 2.0681e+05 2023-02-16 05:00:14,650 INFO [main.py:643]
{rank 0/100} MD step = 422700 step time: 00:00:00.020479 Performance: 312.020 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:15,090 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422700 42270 40.056 -39413 4390.2 -43803 -43803 -0.43924 0.88036 0.26449 2.0686e+05 2023-02-16 05:00:17,421 INFO [main.py:643]
{rank 0/100} MD step = 422800 step time: 00:00:00.020346 Performance: 312.020 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:18,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422800 42280 40.293 -39402 4416.2 -43818 -43818 -0.4394 0.88101 0.26495 2.0691e+05 2023-02-16 05:00:20,292 INFO [main.py:643]
{rank 0/100} MD step = 422900 step time: 00:00:00.020276 Performance: 312.017 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:20,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422900 42290 39.546 -39466 4334.3 -43801 -43801 -0.43784 0.88087 0.26483 2.0697e+05 2023-02-16 05:00:23,043 INFO [main.py:643]
{rank 0/100} MD step = 423000 step time: 00:00:00.020525 Performance: 312.018 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:23,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423000 42300 40.375 -39424 4425.2 -43849 -43849 -0.43655 0.88127 0.26482 2.0701e+05 2023-02-16 05:00:25,768 INFO [main.py:643]
{rank 0/100} MD step = 423100 step time: 00:00:00.020416 Performance: 312.019 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:26,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423100 42310 40.301 -39351 4417.1 -43768 -43768 -0.4363 0.8818 0.26439 2.0706e+05 2023-02-16 05:00:28,517 INFO [main.py:643]
{rank 0/100} MD step = 423200 step time: 00:00:00.020449 Performance: 312.019 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:29,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423200 42320 39.664 -39404 4347.2 -43751 -43751 -0.43634 0.88279 0.26409 2.0711e+05 2023-02-16 05:00:31,295 INFO [main.py:643]
{rank 0/100} MD step = 423300 step time: 00:00:00.020323 Performance: 312.019 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:31,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423300 42330 39.699 -39539 4351.1 -43890 -43890 -0.43629 0.88331 0.26447 2.0715e+05 2023-02-16 05:00:34,016 INFO [main.py:643]
{rank 0/100} MD step = 423400 step time: 00:00:00.020490 Performance: 312.020 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:34,530 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423400 42340 39.724 -39473 4353.8 -43827 -43827 -0.43459 0.88354 0.26497 2.072e+05 2023-02-16 05:00:36,856 INFO [main.py:643]
{rank 0/100} MD step = 423500 step time: 00:00:00.020468 Performance: 312.019 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:37,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423500 42350 39.337 -39586 4311.4 -43897 -43897 -0.43388 0.88395 0.26455 2.0723e+05 2023-02-16 05:00:39,677 INFO [main.py:643]
{rank 0/100} MD step = 423600 step time: 00:00:00.020498 Performance: 312.017 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:40,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423600 42360 40.327 -39399 4419.9 -43819 -43819 -0.43405 0.88416 0.26478 2.0729e+05 2023-02-16 05:00:42,484 INFO [main.py:643]
{rank 0/100} MD step = 423700 step time: 00:00:00.020449 Performance: 312.016 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:43,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423700 42370 40.332 -39375 4420.4 -43795 -43795 -0.43289 0.88378 0.26487 2.0733e+05 2023-02-16 05:00:45,195 INFO [main.py:643]
{rank 0/100} MD step = 423800 step time: 00:00:00.020283 Performance: 312.018 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:45,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423800 42380 40.085 -39411 4393.4 -43804 -43804 -0.43226 0.88466 0.26466 2.0739e+05 2023-02-16 05:00:47,907 INFO [main.py:643]
{rank 0/100} MD step = 423900 step time: 00:00:00.020482 Performance: 312.019 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:48,624 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423900 42390 39.956 -39398 4379.2 -43778 -43778 -0.43279 0.88446 0.26527 2.0744e+05 2023-02-16 05:00:50,653 INFO [main.py:643]
{rank 0/100} MD step = 424000 step time: 00:00:00.020393 Performance: 312.020 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:51,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424000 42400 40.231 -39407 4409.4 -43816 -43816 -0.43407 0.88527 0.26558 2.0749e+05 2023-02-16 05:00:53,376 INFO [main.py:643]
{rank 0/100} MD step = 424100 step time: 00:00:00.020538 Performance: 312.021 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:00:54,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424100 42410 40.113 -39469 4396.4 -43866 -43866 -0.43372 0.88659 0.26554 2.0753e+05 2023-02-16 05:00:56,104 INFO [main.py:643]
{rank 0/100} MD step = 424200 step time: 00:00:00.020450 Performance: 312.022 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:00:57,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424200 42420 39.758 -39457 4357.6 -43815 -43815 -0.43397 0.88749 0.26578 2.0757e+05 2023-02-16 05:00:59,073 INFO [main.py:643]
{rank 0/100} MD step = 424300 step time: 00:00:00.020460 Performance: 312.017 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:00:59,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424300 42430 39.846 -39397 4367.2 -43764 -43764 -0.43326 0.88797 0.26548 2.0762e+05 2023-02-16 05:01:01,753 INFO [main.py:643]
{rank 0/100} MD step = 424400 step time: 00:00:00.020570 Performance: 312.019 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:01:02,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424400 42440 40.476 -39406 4436.2 -43843 -43843 -0.43374 0.88855 0.26596 2.0767e+05 2023-02-16 05:01:04,614 INFO [main.py:643]
{rank 0/100} MD step = 424500 step time: 00:00:00.020484 Performance: 312.017 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:01:05,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424500 42450 40.234 -39496 4409.7 -43906 -43906 -0.43457 0.88872 0.26557 2.0772e+05 2023-02-16 05:01:07,398 INFO [main.py:643]
{rank 0/100} MD step = 424600 step time: 00:00:00.020416 Performance: 312.016 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:01:07,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424600 42460 40.187 -39478 4404.6 -43882 -43882 -0.43593 0.88899 0.26607 2.0776e+05 2023-02-16 05:01:10,146 INFO [main.py:643]
{rank 0/100} MD step = 424700 step time: 00:00:00.020387 Performance: 312.017 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:01:10,865 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424700 42470 40.187 -39437 4404.5 -43841 -43841 -0.43608 0.88881 0.2663 2.0782e+05 2023-02-16 05:01:12,896 INFO [main.py:643]
{rank 0/100} MD step = 424800 step time: 00:00:00.020482 Performance: 312.017 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:01:13,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424800 42480 39.973 -39506 4381.1 -43887 -43887 -0.43503 0.88791 0.26677 2.0786e+05 2023-02-16 05:01:15,626 INFO [main.py:643]
{rank 0/100} MD step = 424900 step time: 00:00:00.020462 Performance: 312.018 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:01:16,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424900 42490 39.59 -39526 4339.1 -43866 -43866 -0.43543 0.88806 0.26653 2.0792e+05 2023-02-16 05:01:18,338 INFO [main.py:643]
{rank 0/100} MD step = 425000 step time: 00:00:00.021734 Performance: 312.020 ns/day 0.077 hours/ns 36.113 steps/s 2023-02-16 05:01:18,707 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425000 42500 39.804 -39458 4362.5 -43820 -43820 -0.43622 0.88784 0.26645 2.0797e+05 2023-02-16 05:01:21,034 INFO [main.py:643]
{rank 0/100} MD step = 425100 step time: 00:00:00.020460 Performance: 312.022 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:21,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425100 42510 39.553 -39515 4335.1 -43850 -43850 -0.43588 0.88825 0.26702 2.0802e+05 2023-02-16 05:01:23,757 INFO [main.py:643]
{rank 0/100} MD step = 425200 step time: 00:00:00.020422 Performance: 312.023 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:24,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425200 42520 40.801 -39401 4471.8 -43872 -43872 -0.43534 0.88765 0.2659 2.0805e+05 2023-02-16 05:01:26,485 INFO [main.py:643]
{rank 0/100} MD step = 425300 step time: 00:00:00.020557 Performance: 312.024 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:27,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425300 42530 39.827 -39537 4365.1 -43902 -43902 -0.43477 0.88836 0.26631 2.0811e+05 2023-02-16 05:01:29,225 INFO [main.py:643]
{rank 0/100} MD step = 425400 step time: 00:00:00.020527 Performance: 312.025 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:29,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425400 42540 40.134 -39462 4398.7 -43861 -43861 -0.43325 0.88963 0.26649 2.0817e+05 2023-02-16 05:01:31,912 INFO [main.py:643]
{rank 0/100} MD step = 425500 step time: 00:00:00.020484 Performance: 312.027 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:32,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425500 42550 39.996 -39454 4383.6 -43837 -43837 -0.43443 0.88871 0.26752 2.0823e+05 2023-02-16 05:01:34,752 INFO [main.py:643]
{rank 0/100} MD step = 425600 step time: 00:00:00.020512 Performance: 312.025 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:35,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425600 42560 39.902 -39444 4373.3 -43817 -43817 -0.43479 0.89003 0.26796 2.0827e+05 2023-02-16 05:01:37,642 INFO [main.py:643]
{rank 0/100} MD step = 425700 step time: 00:00:00.020761 Performance: 312.022 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:38,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425700 42570 39.789 -39470 4360.9 -43831 -43831 -0.43441 0.88905 0.26764 2.083e+05 2023-02-16 05:01:40,361 INFO [main.py:643]
{rank 0/100} MD step = 425800 step time: 00:00:00.020453 Performance: 312.023 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:40,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425800 42580 39.846 -39561 4367.1 -43928 -43928 -0.43475 0.88927 0.26842 2.0835e+05 2023-02-16 05:01:43,158 INFO [main.py:643]
{rank 0/100} MD step = 425900 step time: 00:00:00.020577 Performance: 312.023 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:43,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425900 42590 39.901 -39435 4373.2 -43808 -43808 -0.43477 0.88839 0.2684 2.0841e+05 2023-02-16 05:01:45,898 INFO [main.py:643]
{rank 0/100} MD step = 426000 step time: 00:00:00.020422 Performance: 312.023 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:46,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426000 42600 39.784 -39545 4360.4 -43905 -43905 -0.43533 0.88818 0.26779 2.0846e+05 2023-02-16 05:01:48,736 INFO [main.py:643]
{rank 0/100} MD step = 426100 step time: 00:00:00.020388 Performance: 312.022 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:49,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426100 42610 40.139 -39449 4399.3 -43848 -43848 -0.43484 0.8886 0.26725 2.0851e+05 2023-02-16 05:01:51,467 INFO [main.py:643]
{rank 0/100} MD step = 426200 step time: 00:00:00.020539 Performance: 312.023 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:52,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426200 42620 40.43 -39286 4431.2 -43717 -43717 -0.4349 0.88887 0.26726 2.0857e+05 2023-02-16 05:01:54,206 INFO [main.py:643]
{rank 0/100} MD step = 426300 step time: 00:00:00.020632 Performance: 312.023 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:54,598 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426300 42630 40.25 -39540 4411.5 -43952 -43952 -0.43603 0.88972 0.26727 2.0861e+05 2023-02-16 05:01:56,933 INFO [main.py:643]
{rank 0/100} MD step = 426400 step time: 00:00:00.020489 Performance: 312.024 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:01:57,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426400 42640 39.918 -39480 4375 -43855 -43855 -0.43692 0.88978 0.26748 2.0867e+05 2023-02-16 05:01:59,668 INFO [main.py:643]
{rank 0/100} MD step = 426500 step time: 00:00:00.020388 Performance: 312.025 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:02:00,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426500 42650 40.3 -39419 4416.9 -43836 -43836 -0.43618 0.89047 0.26708 2.0872e+05 2023-02-16 05:02:02,372 INFO [main.py:643]
{rank 0/100} MD step = 426600 step time: 00:00:00.020418 Performance: 312.027 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:02:03,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426600 42660 40.277 -39422 4414.4 -43837 -43837 -0.43709 0.88944 0.26746 2.0876e+05 2023-02-16 05:02:05,240 INFO [main.py:643]
{rank 0/100} MD step = 426700 step time: 00:00:00.020441 Performance: 312.024 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:02:05,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426700 42670 39.873 -39520 4370.1 -43890 -43890 -0.43569 0.88965 0.26804 2.0882e+05 2023-02-16 05:02:07,960 INFO [main.py:643]
{rank 0/100} MD step = 426800 step time: 00:00:00.020396 Performance: 312.026 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:02:08,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426800 42680 40.084 -39375 4393.3 -43768 -43768 -0.43535 0.88904 0.26737 2.0886e+05 2023-02-16 05:02:10,704 INFO [main.py:643]
{rank 0/100} MD step = 426900 step time: 00:00:00.020590 Performance: 312.026 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:02:11,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426900 42690 39.976 -39525 4381.4 -43906 -43906 -0.43485 0.8894 0.26767 2.089e+05 2023-02-16 05:02:13,409 INFO [main.py:643]
{rank 0/100} MD step = 427000 step time: 00:00:00.020391 Performance: 312.028 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:02:13,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427000 42700 39.726 -39447 4354 -43801 -43801 -0.4368 0.88952 0.26763 2.0894e+05 2023-02-16 05:02:16,103 INFO [main.py:643]
{rank 0/100} MD step = 427100 step time: 00:00:00.020647 Performance: 312.030 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:16,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427100 42710 39.706 -39407 4351.8 -43759 -43759 -0.43745 0.88952 0.26769 2.09e+05 2023-02-16 05:02:18,909 INFO [main.py:643]
{rank 0/100} MD step = 427200 step time: 00:00:00.020439 Performance: 312.029 ns/day 0.077 hours/ns 36.114 steps/s 2023-02-16 05:02:19,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427200 42720 39.681 -39523 4349.1 -43872 -43872 -0.43631 0.88914 0.26808 2.0905e+05 2023-02-16 05:02:21,616 INFO [main.py:643]
{rank 0/100} MD step = 427300 step time: 00:00:00.020587 Performance: 312.031 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:22,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427300 42730 39.479 -39413 4327 -43740 -43740 -0.4359 0.89038 0.26885 2.0909e+05 2023-02-16 05:02:24,273 INFO [main.py:643]
{rank 0/100} MD step = 427400 step time: 00:00:00.020539 Performance: 312.034 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:24,957 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427400 42740 39.433 -39567 4322 -43888 -43888 -0.43742 0.89079 0.26857 2.0913e+05 2023-02-16 05:02:26,992 INFO [main.py:643]
{rank 0/100} MD step = 427500 step time: 00:00:00.020497 Performance: 312.035 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:27,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427500 42750 40.504 -39430 4439.3 -43870 -43870 -0.43847 0.89157 0.26902 2.0919e+05 2023-02-16 05:02:29,676 INFO [main.py:643]
{rank 0/100} MD step = 427600 step time: 00:00:00.020576 Performance: 312.037 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:30,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427600 42760 39.88 -39514 4370.9 -43885 -43885 -0.44027 0.89262 0.26968 2.0922e+05 2023-02-16 05:02:32,393 INFO [main.py:643]
{rank 0/100} MD step = 427700 step time: 00:00:00.020539 Performance: 312.039 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 05:02:33,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427700 42770 39.83 -39456 4365.4 -43822 -43822 -0.44032 0.89275 0.27022 2.0927e+05 2023-02-16 05:02:35,139 INFO [main.py:643]
{rank 0/100} MD step = 427800 step time: 00:00:00.020575 Performance: 312.039 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 05:02:35,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427800 42780 39.959 -39414 4379.5 -43793 -43793 -0.43964 0.89295 0.27046 2.0933e+05 2023-02-16 05:02:38,005 INFO [main.py:643]
{rank 0/100} MD step = 427900 step time: 00:00:00.020722 Performance: 312.037 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:38,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427900 42790 40.153 -39395 4400.8 -43796 -43796 -0.43909 0.893 0.26991 2.0936e+05 2023-02-16 05:02:40,809 INFO [main.py:643]
{rank 0/100} MD step = 428000 step time: 00:00:00.020798 Performance: 312.036 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:41,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428000 42800 40.456 -39405 4434 -43839 -43839 -0.44002 0.89327 0.26984 2.094e+05 2023-02-16 05:02:43,527 INFO [main.py:643]
{rank 0/100} MD step = 428100 step time: 00:00:00.020570 Performance: 312.037 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:44,252 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428100 42810 40.338 -39411 4421.1 -43832 -43832 -0.44099 0.89422 0.27002 2.0945e+05 2023-02-16 05:02:46,278 INFO [main.py:643]
{rank 0/100} MD step = 428200 step time: 00:00:00.020322 Performance: 312.038 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:47,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428200 42820 39.871 -39403 4369.9 -43773 -43773 -0.44075 0.8946 0.26975 2.0953e+05 2023-02-16 05:02:49,210 INFO [main.py:643]
{rank 0/100} MD step = 428300 step time: 00:00:00.020539 Performance: 312.033 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:49,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428300 42830 40.01 -39418 4385.1 -43803 -43803 -0.44016 0.89507 0.26968 2.0956e+05 2023-02-16 05:02:51,891 INFO [main.py:643]
{rank 0/100} MD step = 428400 step time: 00:00:00.020468 Performance: 312.036 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:52,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428400 42840 40.032 -39432 4387.6 -43819 -43819 -0.43886 0.89533 0.2702 2.0961e+05 2023-02-16 05:02:54,589 INFO [main.py:643]
{rank 0/100} MD step = 428500 step time: 00:00:00.020455 Performance: 312.037 ns/day 0.077 hours/ns 36.115 steps/s 2023-02-16 05:02:55,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428500 42850 39.651 -39569 4345.8 -43915 -43915 -0.43968 0.89531 0.27047 2.0965e+05 2023-02-16 05:02:57,290 INFO [main.py:643]
{rank 0/100} MD step = 428600 step time: 00:00:00.020375 Performance: 312.039 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 05:02:57,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428600 42860 39.979 -39446 4381.7 -43827 -43827 -0.43963 0.89591 0.27051 2.0971e+05 2023-02-16 05:03:00,020 INFO [main.py:643]
{rank 0/100} MD step = 428700 step time: 00:00:00.020836 Performance: 312.040 ns/day 0.077 hours/ns 36.116 steps/s 2023-02-16 05:03:03,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428700 42870 40.351 -39500 4422.5 -43923 -43923 -0.43951 0.89577 0.27071 2.0975e+05 2023-02-16 05:03:05,332 INFO [main.py:643]
{rank 0/100} MD step = 428800 step time: 00:00:00.020426 Performance: 311.973 ns/day 0.077 hours/ns 36.108 steps/s 2023-02-16 05:03:08,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428800 42880 39.847 -39578 4367.3 -43945 -43945 -0.44071 0.89661 0.27231 2.0979e+05 2023-02-16 05:03:10,568 INFO [main.py:643]
{rank 0/100} MD step = 428900 step time: 00:00:00.020503 Performance: 311.909 ns/day 0.077 hours/ns 36.101 steps/s 2023-02-16 05:03:13,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428900 42890 40.295 -39474 4416.4 -43891 -43891 -0.43903 0.89636 0.27229 2.0986e+05 2023-02-16 05:03:15,232 INFO [main.py:643]
{rank 0/100} MD step = 429000 step time: 00:00:00.020282 Performance: 311.859 ns/day 0.077 hours/ns 36.095 steps/s 2023-02-16 05:03:15,923 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429000 42900 39.689 -39440 4350 -43790 -43790 -0.43999 0.897 0.27184 2.0991e+05 2023-02-16 05:03:17,955 INFO [main.py:643]
{rank 0/100} MD step = 429100 step time: 00:00:00.020458 Performance: 311.860 ns/day 0.077 hours/ns 36.095 steps/s 2023-02-16 05:03:18,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429100 42910 39.86 -39466 4368.7 -43835 -43835 -0.43973 0.89651 0.27193 2.0995e+05 2023-02-16 05:03:20,706 INFO [main.py:643]
{rank 0/100} MD step = 429200 step time: 00:00:00.020487 Performance: 311.861 ns/day 0.077 hours/ns 36.095 steps/s 2023-02-16 05:03:21,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429200 42920 40.381 -39491 4425.8 -43917 -43917 -0.43967 0.89652 0.27257 2.1001e+05 2023-02-16 05:03:23,423 INFO [main.py:643]
{rank 0/100} MD step = 429300 step time: 00:00:00.020492 Performance: 311.862 ns/day 0.077 hours/ns 36.095 steps/s 2023-02-16 05:03:23,865 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429300 42930 39.987 -39388 4382.6 -43770 -43770 -0.43896 0.89601 0.27327 2.1006e+05 2023-02-16 05:03:26,107 INFO [main.py:643]
{rank 0/100} MD step = 429400 step time: 00:00:00.020425 Performance: 311.864 ns/day 0.077 hours/ns 36.095 steps/s 2023-02-16 05:03:26,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429400 42940 39.966 -39518 4380.3 -43898 -43898 -0.43713 0.89575 0.27378 2.1011e+05 2023-02-16 05:03:28,830 INFO [main.py:643]
{rank 0/100} MD step = 429500 step time: 00:00:00.020479 Performance: 311.866 ns/day 0.077 hours/ns 36.096 steps/s 2023-02-16 05:03:29,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429500 42950 40.162 -39373 4401.8 -43775 -43775 -0.43758 0.89613 0.27384 2.1016e+05 2023-02-16 05:03:31,760 INFO [main.py:643]
{rank 0/100} MD step = 429600 step time: 00:00:00.020346 Performance: 311.861 ns/day 0.077 hours/ns 36.095 steps/s 2023-02-16 05:03:32,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429600 42960 40.812 -39410 4473.1 -43883 -43883 -0.43911 0.89684 0.27432 2.1021e+05 2023-02-16 05:03:34,796 INFO [main.py:643]
{rank 0/100} MD step = 429700 step time: 00:00:00.020328 Performance: 311.854 ns/day 0.077 hours/ns 36.094 steps/s 2023-02-16 05:03:35,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429700 42970 39.463 -39546 4325.2 -43871 -43871 -0.43909 0.89717 0.27397 2.1026e+05 2023-02-16 05:03:37,886 INFO [main.py:643]
{rank 0/100} MD step = 429800 step time: 00:00:00.020539 Performance: 311.846 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:03:38,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429800 42980 40.17 -39426 4402.7 -43829 -43829 -0.43926 0.89763 0.27356 2.1033e+05 2023-02-16 05:03:40,853 INFO [main.py:643]
{rank 0/100} MD step = 429900 step time: 00:00:00.020419 Performance: 311.841 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:03:41,414 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429900 42990 39.826 -39472 4365 -43837 -43837 -0.43964 0.89822 0.27344 2.1036e+05 2023-02-16 05:03:43,548 INFO [main.py:643]
{rank 0/100} MD step = 430000 step time: 00:00:00.020517 Performance: 311.843 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:03:43,952 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430000 43000 39.541 -39522 4333.7 -43856 -43856 -0.44026 0.89801 0.27301 2.1042e+05 2023-02-16 05:03:46,359 INFO [main.py:643]
{rank 0/100} MD step = 430100 step time: 00:00:00.020446 Performance: 311.842 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:03:46,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430100 43010 39.465 -39529 4325.5 -43855 -43855 -0.43951 0.89774 0.27331 2.1045e+05 2023-02-16 05:03:49,052 INFO [main.py:643]
{rank 0/100} MD step = 430200 step time: 00:00:00.020456 Performance: 311.844 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:03:49,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430200 43020 39.957 -39426 4379.4 -43806 -43806 -0.44024 0.89788 0.27316 2.1052e+05 2023-02-16 05:03:51,821 INFO [main.py:643]
{rank 0/100} MD step = 430300 step time: 00:00:00.020485 Performance: 311.844 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:03:52,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430300 43030 40.019 -39448 4386.1 -43834 -43834 -0.44145 0.89908 0.27362 2.1056e+05 2023-02-16 05:03:54,544 INFO [main.py:643]
{rank 0/100} MD step = 430400 step time: 00:00:00.020411 Performance: 311.845 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:03:55,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430400 43040 40.319 -39419 4419 -43838 -43838 -0.4406 0.90043 0.27386 2.1062e+05 2023-02-16 05:03:57,349 INFO [main.py:643]
{rank 0/100} MD step = 430500 step time: 00:00:00.020407 Performance: 311.844 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:03:58,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430500 43050 39.638 -39520 4344.4 -43865 -43865 -0.43961 0.90071 0.27525 2.1066e+05 2023-02-16 05:04:00,084 INFO [main.py:643]
{rank 0/100} MD step = 430600 step time: 00:00:00.020547 Performance: 311.845 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:04:00,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430600 43060 40.208 -39408 4406.9 -43815 -43815 -0.4389 0.9007 0.27659 2.1072e+05 2023-02-16 05:04:03,265 INFO [main.py:643]
{rank 0/100} MD step = 430700 step time: 00:00:00.020343 Performance: 311.835 ns/day 0.077 hours/ns 36.092 steps/s 2023-02-16 05:04:03,882 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430700 43070 40.1 -39429 4395 -43824 -43824 -0.43856 0.90086 0.27686 2.1076e+05 2023-02-16 05:04:06,007 INFO [main.py:643]
{rank 0/100} MD step = 430800 step time: 00:00:00.020386 Performance: 311.835 ns/day 0.077 hours/ns 36.092 steps/s 2023-02-16 05:04:06,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430800 43080 40.097 -39453 4394.7 -43848 -43848 -0.4394 0.9015 0.27819 2.1083e+05 2023-02-16 05:04:08,749 INFO [main.py:643]
{rank 0/100} MD step = 430900 step time: 00:00:00.020459 Performance: 311.836 ns/day 0.077 hours/ns 36.092 steps/s 2023-02-16 05:04:09,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430900 43090 39.669 -39536 4347.7 -43884 -43884 -0.43915 0.90178 0.27867 2.1087e+05 2023-02-16 05:04:11,481 INFO [main.py:643]
{rank 0/100} MD step = 431000 step time: 00:00:00.020431 Performance: 311.837 ns/day 0.077 hours/ns 36.092 steps/s 2023-02-16 05:04:12,114 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431000 43100 40.756 -39368 4466.9 -43835 -43835 -0.44057 0.90083 0.27948 2.1093e+05 2023-02-16 05:04:14,168 INFO [main.py:643]
{rank 0/100} MD step = 431100 step time: 00:00:00.020663 Performance: 311.839 ns/day 0.077 hours/ns 36.093 steps/s 2023-02-16 05:04:14,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431100 43110 40.443 -39294 4432.6 -43727 -43727 -0.4417 0.9006 0.27943 2.1097e+05 2023-02-16 05:04:16,944 INFO [main.py:643]
{rank 0/100} MD step = 431200 step time: 00:00:00.020359 Performance: 311.839 ns/day 0.077 hours/ns 36.092 steps/s 2023-02-16 05:04:19,104 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431200 43120 40.288 -39415 4415.7 -43830 -43830 -0.44477 0.90089 0.27917 2.1103e+05 2023-02-16 05:04:21,369 INFO [main.py:643]
{rank 0/100} MD step = 431300 step time: 00:00:00.020446 Performance: 311.796 ns/day 0.077 hours/ns 36.087 steps/s 2023-02-16 05:04:22,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431300 43130 39.432 -39532 4321.8 -43854 -43854 -0.44422 0.90104 0.27864 2.1108e+05 2023-02-16 05:04:24,837 INFO [main.py:643]
{rank 0/100} MD step = 431400 step time: 00:00:00.020459 Performance: 311.778 ns/day 0.077 hours/ns 36.085 steps/s 2023-02-16 05:04:25,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431400 43140 40.185 -39505 4404.3 -43910 -43910 -0.4449 0.90152 0.27987 2.1113e+05 2023-02-16 05:04:27,654 INFO [main.py:643]
{rank 0/100} MD step = 431500 step time: 00:00:00.020473 Performance: 311.777 ns/day 0.077 hours/ns 36.085 steps/s 2023-02-16 05:04:32,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431500 43150 39.869 -39491 4369.7 -43860 -43860 -0.44594 0.90187 0.28005 2.1117e+05 2023-02-16 05:04:34,368 INFO [main.py:643]
{rank 0/100} MD step = 431600 step time: 00:00:00.020426 Performance: 311.674 ns/day 0.077 hours/ns 36.073 steps/s 2023-02-16 05:04:35,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431600 43160 40.62 -39509 4452 -43961 -43961 -0.44595 0.90217 0.2791 2.1122e+05 2023-02-16 05:04:37,903 INFO [main.py:643]
{rank 0/100} MD step = 431700 step time: 00:00:00.020492 Performance: 311.654 ns/day 0.077 hours/ns 36.071 steps/s 2023-02-16 05:04:38,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431700 43170 40.38 -39405 4425.7 -43831 -43831 -0.44594 0.90251 0.27852 2.1128e+05 2023-02-16 05:04:40,761 INFO [main.py:643]
{rank 0/100} MD step = 431800 step time: 00:00:00.020616 Performance: 311.652 ns/day 0.077 hours/ns 36.071 steps/s 2023-02-16 05:04:41,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431800 43180 39.42 -39565 4320.5 -43885 -43885 -0.44579 0.90237 0.27857 2.1133e+05 2023-02-16 05:04:43,499 INFO [main.py:643]
{rank 0/100} MD step = 431900 step time: 00:00:00.020439 Performance: 311.653 ns/day 0.077 hours/ns 36.071 steps/s 2023-02-16 05:04:46,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431900 43190 39.332 -39531 4310.9 -43841 -43841 -0.44663 0.90352 0.27895 2.1137e+05 2023-02-16 05:04:49,342 INFO [main.py:643]
{rank 0/100} MD step = 432000 step time: 00:00:00.020752 Performance: 311.573 ns/day 0.077 hours/ns 36.062 steps/s 2023-02-16 05:04:50,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432000 43200 40.172 -39422 4402.9 -43825 -43825 -0.44662 0.90315 0.27908 2.1143e+05 2023-02-16 05:04:52,254 INFO [main.py:643]
{rank 0/100} MD step = 432100 step time: 00:00:00.020424 Performance: 311.569 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:04:52,986 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432100 43210 39.965 -39494 4380.3 -43875 -43875 -0.44843 0.90363 0.27994 2.1147e+05 2023-02-16 05:04:55,104 INFO [main.py:643]
{rank 0/100} MD step = 432200 step time: 00:00:00.020460 Performance: 311.567 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:04:55,852 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432200 43220 39.7 -39439 4351.1 -43790 -43790 -0.44843 0.90432 0.27932 2.1151e+05 2023-02-16 05:04:57,886 INFO [main.py:643]
{rank 0/100} MD step = 432300 step time: 00:00:00.020564 Performance: 311.567 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:04:58,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432300 43230 40.032 -39438 4387.6 -43825 -43825 -0.44891 0.90453 0.27912 2.1155e+05 2023-02-16 05:05:00,628 INFO [main.py:643]
{rank 0/100} MD step = 432400 step time: 00:00:00.020329 Performance: 311.568 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:01,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432400 43240 39.702 -39477 4351.3 -43828 -43828 -0.44946 0.90476 0.27948 2.116e+05 2023-02-16 05:05:03,449 INFO [main.py:643]
{rank 0/100} MD step = 432500 step time: 00:00:00.020434 Performance: 311.566 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:03,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432500 43250 39.721 -39543 4353.5 -43897 -43897 -0.44903 0.90445 0.27899 2.1164e+05 2023-02-16 05:05:06,164 INFO [main.py:643]
{rank 0/100} MD step = 432600 step time: 00:00:00.020407 Performance: 311.568 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:06,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432600 43260 39.361 -39463 4314 -43777 -43777 -0.44964 0.90514 0.27939 2.117e+05 2023-02-16 05:05:08,870 INFO [main.py:643]
{rank 0/100} MD step = 432700 step time: 00:00:00.020462 Performance: 311.570 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:09,422 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432700 43270 40.506 -39485 4439.5 -43925 -43925 -0.44993 0.90575 0.27962 2.1174e+05 2023-02-16 05:05:11,567 INFO [main.py:643]
{rank 0/100} MD step = 432800 step time: 00:00:00.020351 Performance: 311.572 ns/day 0.077 hours/ns 36.062 steps/s 2023-02-16 05:05:12,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432800 43280 39.663 -39482 4347.1 -43829 -43829 -0.44832 0.90584 0.27979 2.1179e+05 2023-02-16 05:05:14,720 INFO [main.py:643]
{rank 0/100} MD step = 432900 step time: 00:00:00.021080 Performance: 311.562 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:15,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432900 43290 40.055 -39468 4390 -43858 -43858 -0.45034 0.90501 0.27971 2.1183e+05 2023-02-16 05:05:17,526 INFO [main.py:643]
{rank 0/100} MD step = 433000 step time: 00:00:00.025893 Performance: 311.561 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:18,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433000 43300 39.708 -39467 4352.1 -43819 -43819 -0.45105 0.90519 0.2802 2.1187e+05 2023-02-16 05:05:20,387 INFO [main.py:643]
{rank 0/100} MD step = 433100 step time: 00:00:00.020426 Performance: 311.559 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:21,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433100 43310 40.137 -39409 4399 -43808 -43808 -0.45195 0.90491 0.28116 2.1192e+05 2023-02-16 05:05:23,142 INFO [main.py:643]
{rank 0/100} MD step = 433200 step time: 00:00:00.020389 Performance: 311.559 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:23,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433200 43320 39.568 -39500 4336.7 -43836 -43836 -0.45229 0.90447 0.28116 2.1196e+05 2023-02-16 05:05:25,949 INFO [main.py:643]
{rank 0/100} MD step = 433300 step time: 00:00:00.020505 Performance: 311.558 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:26,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433300 43330 39.954 -39467 4379 -43846 -43846 -0.45259 0.90496 0.28205 2.1202e+05 2023-02-16 05:05:28,711 INFO [main.py:643]
{rank 0/100} MD step = 433400 step time: 00:00:00.020718 Performance: 311.559 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:29,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433400 43340 40.569 -39427 4446.5 -43874 -43874 -0.4522 0.90455 0.2816 2.1206e+05 2023-02-16 05:05:31,451 INFO [main.py:643]
{rank 0/100} MD step = 433500 step time: 00:00:00.020511 Performance: 311.559 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:32,193 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433500 43350 39.717 -39440 4353.1 -43793 -43793 -0.45385 0.90501 0.28078 2.1211e+05 2023-02-16 05:05:34,225 INFO [main.py:643]
{rank 0/100} MD step = 433600 step time: 00:00:00.020494 Performance: 311.559 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:34,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433600 43360 39.994 -39504 4383.4 -43887 -43887 -0.45234 0.90507 0.28078 2.1215e+05 2023-02-16 05:05:36,979 INFO [main.py:643]
{rank 0/100} MD step = 433700 step time: 00:00:00.020290 Performance: 311.560 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:37,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433700 43370 39.891 -39565 4372.1 -43937 -43937 -0.45179 0.90611 0.28155 2.122e+05 2023-02-16 05:05:39,705 INFO [main.py:643]
{rank 0/100} MD step = 433800 step time: 00:00:00.020532 Performance: 311.561 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:40,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433800 43380 40.104 -39458 4395.5 -43853 -43853 -0.452 0.90683 0.28157 2.1227e+05 2023-02-16 05:05:42,402 INFO [main.py:643]
{rank 0/100} MD step = 433900 step time: 00:00:00.020364 Performance: 311.563 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:43,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433900 43390 40.056 -39449 4390.2 -43839 -43839 -0.45458 0.90651 0.28209 2.1231e+05 2023-02-16 05:05:45,083 INFO [main.py:643]
{rank 0/100} MD step = 434000 step time: 00:00:00.020509 Performance: 311.565 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:45,698 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434000 43400 40.142 -39446 4399.6 -43846 -43846 -0.45374 0.90707 0.28207 2.1235e+05 2023-02-16 05:05:47,909 INFO [main.py:643]
{rank 0/100} MD step = 434100 step time: 00:00:00.020397 Performance: 311.564 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:48,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434100 43410 40.205 -39384 4406.5 -43791 -43791 -0.45216 0.90755 0.28223 2.1242e+05 2023-02-16 05:05:50,753 INFO [main.py:643]
{rank 0/100} MD step = 434200 step time: 00:00:00.020360 Performance: 311.562 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:05:51,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434200 43420 39.404 -39571 4318.8 -43889 -43889 -0.45145 0.90799 0.2843 2.1245e+05 2023-02-16 05:05:53,460 INFO [main.py:643]
{rank 0/100} MD step = 434300 step time: 00:00:00.020315 Performance: 311.564 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:54,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434300 43430 39.816 -39479 4363.9 -43843 -43843 -0.45041 0.90768 0.28447 2.1248e+05 2023-02-16 05:05:56,220 INFO [main.py:643]
{rank 0/100} MD step = 434400 step time: 00:00:00.021830 Performance: 311.564 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:56,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434400 43440 40.49 -39369 4437.8 -43807 -43807 -0.45018 0.90737 0.28499 2.1253e+05 2023-02-16 05:05:58,956 INFO [main.py:643]
{rank 0/100} MD step = 434500 step time: 00:00:00.020330 Performance: 311.565 ns/day 0.077 hours/ns 36.061 steps/s 2023-02-16 05:05:59,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434500 43450 40.271 -39455 4413.8 -43868 -43868 -0.44999 0.9079 0.28443 2.1256e+05 2023-02-16 05:06:01,943 INFO [main.py:643]
{rank 0/100} MD step = 434600 step time: 00:00:00.020416 Performance: 311.560 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:06:02,353 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434600 43460 39.946 -39446 4378.1 -43824 -43824 -0.45022 0.90877 0.28491 2.1263e+05 2023-02-16 05:06:04,685 INFO [main.py:643]
{rank 0/100} MD step = 434700 step time: 00:00:00.020606 Performance: 311.561 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:06:05,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434700 43470 40.724 -39423 4463.3 -43886 -43886 -0.45065 0.90876 0.2846 2.1268e+05 2023-02-16 05:06:07,545 INFO [main.py:643]
{rank 0/100} MD step = 434800 step time: 00:00:00.020350 Performance: 311.558 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:06:08,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434800 43480 39.872 -39401 4370.1 -43771 -43771 -0.45012 0.90895 0.28493 2.1272e+05 2023-02-16 05:06:10,540 INFO [main.py:643]
{rank 0/100} MD step = 434900 step time: 00:00:00.020311 Performance: 311.553 ns/day 0.077 hours/ns 36.059 steps/s 2023-02-16 05:06:11,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434900 43490 39.734 -39591 4354.9 -43946 -43946 -0.45143 0.90959 0.28537 2.1276e+05 2023-02-16 05:06:13,252 INFO [main.py:643]
{rank 0/100} MD step = 435000 step time: 00:00:00.020501 Performance: 311.554 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:06:13,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435000 43500 40.255 -39405 4412 -43818 -43818 -0.4518 0.90944 0.28543 2.1282e+05 2023-02-16 05:06:16,008 INFO [main.py:643]
{rank 0/100} MD step = 435100 step time: 00:00:00.020395 Performance: 311.555 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:06:16,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435100 43510 40.023 -39401 4386.6 -43788 -43788 -0.45122 0.90973 0.28558 2.1287e+05 2023-02-16 05:06:18,811 INFO [main.py:643]
{rank 0/100} MD step = 435200 step time: 00:00:00.020372 Performance: 311.554 ns/day 0.077 hours/ns 36.059 steps/s 2023-02-16 05:06:19,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435200 43520 40.052 -39476 4389.7 -43866 -43866 -0.44968 0.90973 0.28566 2.1291e+05 2023-02-16 05:06:21,511 INFO [main.py:643]
{rank 0/100} MD step = 435300 step time: 00:00:00.020437 Performance: 311.556 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:06:22,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435300 43530 39.411 -39536 4319.5 -43856 -43856 -0.45054 0.90983 0.28592 2.1296e+05 2023-02-16 05:06:24,243 INFO [main.py:643]
{rank 0/100} MD step = 435400 step time: 00:00:00.020353 Performance: 311.557 ns/day 0.077 hours/ns 36.060 steps/s 2023-02-16 05:06:26,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435400 43540 40.85 -39332 4477.2 -43810 -43810 -0.45172 0.90988 0.2865 2.1301e+05 2023-02-16 05:06:28,968 INFO [main.py:643]
{rank 0/100} MD step = 435500 step time: 00:00:00.020478 Performance: 311.506 ns/day 0.077 hours/ns 36.054 steps/s 2023-02-16 05:06:29,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435500 43550 40.826 -39310 4474.6 -43784 -43784 -0.45121 0.91062 0.28665 2.1306e+05 2023-02-16 05:06:31,761 INFO [main.py:643]
{rank 0/100} MD step = 435600 step time: 00:00:00.020484 Performance: 311.506 ns/day 0.077 hours/ns 36.054 steps/s 2023-02-16 05:06:32,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435600 43560 39.82 -39482 4364.3 -43847 -43847 -0.4516 0.91086 0.28642 2.131e+05 2023-02-16 05:06:34,613 INFO [main.py:643]
{rank 0/100} MD step = 435700 step time: 00:00:00.020314 Performance: 311.504 ns/day 0.077 hours/ns 36.054 steps/s 2023-02-16 05:06:35,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435700 43570 40.158 -39445 4401.4 -43846 -43846 -0.45193 0.91066 0.28604 2.1315e+05 2023-02-16 05:06:37,585 INFO [main.py:643]
{rank 0/100} MD step = 435800 step time: 00:00:00.020445 Performance: 311.499 ns/day 0.077 hours/ns 36.053 steps/s 2023-02-16 05:06:38,303 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435800 43580 39.804 -39478 4362.6 -43840 -43840 -0.45291 0.91083 0.28485 2.132e+05 2023-02-16 05:06:40,499 INFO [main.py:643]
{rank 0/100} MD step = 435900 step time: 00:00:00.020480 Performance: 311.495 ns/day 0.077 hours/ns 36.053 steps/s 2023-02-16 05:06:42,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435900 43590 39.237 -39570 4300.4 -43870 -43870 -0.45252 0.9111 0.28554 2.1324e+05 2023-02-16 05:06:44,759 INFO [main.py:643]
{rank 0/100} MD step = 436000 step time: 00:00:00.020455 Performance: 311.457 ns/day 0.077 hours/ns 36.048 steps/s 2023-02-16 05:06:45,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436000 43600 39.852 -39546 4367.8 -43914 -43914 -0.45352 0.91104 0.2856 2.133e+05 2023-02-16 05:06:47,606 INFO [main.py:643]
{rank 0/100} MD step = 436100 step time: 00:00:00.020495 Performance: 311.455 ns/day 0.077 hours/ns 36.048 steps/s 2023-02-16 05:06:48,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436100 43610 39.01 -39537 4275.5 -43812 -43812 -0.45451 0.91144 0.28544 2.1335e+05 2023-02-16 05:06:50,348 INFO [main.py:643]
{rank 0/100} MD step = 436200 step time: 00:00:00.020463 Performance: 311.456 ns/day 0.077 hours/ns 36.048 steps/s 2023-02-16 05:06:51,031 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436200 43620 40.088 -39343 4393.7 -43737 -43737 -0.45624 0.91051 0.28554 2.134e+05 2023-02-16 05:06:53,059 INFO [main.py:643]
{rank 0/100} MD step = 436300 step time: 00:00:00.020494 Performance: 311.457 ns/day 0.077 hours/ns 36.048 steps/s 2023-02-16 05:06:54,952 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436300 43630 39.861 -39501 4368.9 -43870 -43870 -0.45904 0.91091 0.28592 2.1343e+05 2023-02-16 05:06:57,406 INFO [main.py:643]
{rank 0/100} MD step = 436400 step time: 00:00:00.020408 Performance: 311.417 ns/day 0.077 hours/ns 36.044 steps/s 2023-02-16 05:06:58,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436400 43640 40.107 -39432 4395.8 -43828 -43828 -0.4598 0.91095 0.28553 2.1348e+05 2023-02-16 05:07:00,150 INFO [main.py:643]
{rank 0/100} MD step = 436500 step time: 00:00:00.020464 Performance: 311.418 ns/day 0.077 hours/ns 36.044 steps/s 2023-02-16 05:07:02,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436500 43650 39.829 -39441 4365.3 -43806 -43806 -0.45878 0.91126 0.28554 2.1353e+05 2023-02-16 05:07:04,516 INFO [main.py:643]
{rank 0/100} MD step = 436600 step time: 00:00:00.020473 Performance: 311.377 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:05,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436600 43660 39.514 -39535 4330.7 -43866 -43866 -0.45894 0.91212 0.28544 2.1358e+05 2023-02-16 05:07:07,469 INFO [main.py:643]
{rank 0/100} MD step = 436700 step time: 00:00:00.020429 Performance: 311.372 ns/day 0.077 hours/ns 36.038 steps/s 2023-02-16 05:07:08,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436700 43670 40.24 -39481 4410.4 -43892 -43892 -0.459 0.91218 0.2847 2.1362e+05 2023-02-16 05:07:10,236 INFO [main.py:643]
{rank 0/100} MD step = 436800 step time: 00:00:00.020390 Performance: 311.372 ns/day 0.077 hours/ns 36.038 steps/s 2023-02-16 05:07:10,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436800 43680 39.701 -39476 4351.2 -43827 -43827 -0.45998 0.91205 0.2844 2.1369e+05 2023-02-16 05:07:13,053 INFO [main.py:643]
{rank 0/100} MD step = 436900 step time: 00:00:00.020414 Performance: 311.371 ns/day 0.077 hours/ns 36.038 steps/s 2023-02-16 05:07:13,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436900 43690 40.04 -39473 4388.4 -43862 -43862 -0.46126 0.91178 0.28483 2.1374e+05 2023-02-16 05:07:15,808 INFO [main.py:643]
{rank 0/100} MD step = 437000 step time: 00:00:00.020394 Performance: 311.372 ns/day 0.077 hours/ns 36.038 steps/s 2023-02-16 05:07:16,281 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437000 43700 39.154 -39540 4291.3 -43831 -43831 -0.46118 0.91155 0.28463 2.1379e+05 2023-02-16 05:07:18,503 INFO [main.py:643]
{rank 0/100} MD step = 437100 step time: 00:00:00.020389 Performance: 311.374 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:18,898 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437100 43710 39.723 -39472 4353.7 -43825 -43825 -0.46151 0.91162 0.28525 2.1384e+05 2023-02-16 05:07:21,205 INFO [main.py:643]
{rank 0/100} MD step = 437200 step time: 00:00:00.020381 Performance: 311.376 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:21,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437200 43720 40.088 -39484 4393.6 -43877 -43877 -0.46263 0.91205 0.28428 2.1388e+05 2023-02-16 05:07:23,940 INFO [main.py:643]
{rank 0/100} MD step = 437300 step time: 00:00:00.020333 Performance: 311.377 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:24,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437300 43730 39.928 -39403 4376.2 -43779 -43779 -0.46159 0.91399 0.28439 2.1393e+05 2023-02-16 05:07:26,804 INFO [main.py:643]
{rank 0/100} MD step = 437400 step time: 00:00:00.020573 Performance: 311.375 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:27,388 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437400 43740 39.893 -39502 4372.4 -43874 -43874 -0.46056 0.91438 0.28521 2.1398e+05 2023-02-16 05:07:29,564 INFO [main.py:643]
{rank 0/100} MD step = 437500 step time: 00:00:00.020623 Performance: 311.375 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:30,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437500 43750 40.448 -39399 4433.2 -43833 -43833 -0.45893 0.91544 0.28538 2.1401e+05 2023-02-16 05:07:32,327 INFO [main.py:643]
{rank 0/100} MD step = 437600 step time: 00:00:00.020341 Performance: 311.375 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:32,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437600 43760 39.871 -39584 4369.9 -43954 -43954 -0.45755 0.91596 0.28647 2.1406e+05 2023-02-16 05:07:35,003 INFO [main.py:643]
{rank 0/100} MD step = 437700 step time: 00:00:00.020447 Performance: 311.378 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:35,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437700 43770 39.942 -39440 4377.7 -43818 -43818 -0.4568 0.91715 0.28665 2.1411e+05 2023-02-16 05:07:37,785 INFO [main.py:643]
{rank 0/100} MD step = 437800 step time: 00:00:00.020457 Performance: 311.378 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:38,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437800 43780 40.437 -39455 4432 -43887 -43887 -0.45572 0.91693 0.28626 2.1417e+05 2023-02-16 05:07:40,529 INFO [main.py:643]
{rank 0/100} MD step = 437900 step time: 00:00:00.020456 Performance: 311.378 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:41,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437900 43790 40.487 -39401 4437.5 -43838 -43838 -0.45574 0.91706 0.2857 2.1421e+05 2023-02-16 05:07:43,259 INFO [main.py:643]
{rank 0/100} MD step = 438000 step time: 00:00:00.020352 Performance: 311.380 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:43,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438000 43800 40.226 -39444 4408.8 -43852 -43852 -0.45541 0.91697 0.28601 2.1425e+05 2023-02-16 05:07:45,968 INFO [main.py:643]
{rank 0/100} MD step = 438100 step time: 00:00:00.020331 Performance: 311.381 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:46,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438100 43810 39.863 -39463 4369.1 -43832 -43832 -0.45561 0.91746 0.28567 2.1431e+05 2023-02-16 05:07:48,655 INFO [main.py:643]
{rank 0/100} MD step = 438200 step time: 00:00:00.020513 Performance: 311.383 ns/day 0.077 hours/ns 36.040 steps/s 2023-02-16 05:07:49,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438200 43820 40.168 -39442 4402.5 -43844 -43844 -0.45603 0.91703 0.28583 2.1437e+05 2023-02-16 05:07:51,515 INFO [main.py:643]
{rank 0/100} MD step = 438300 step time: 00:00:00.020480 Performance: 311.381 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:07:52,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438300 43830 39.307 -39480 4308.1 -43788 -43788 -0.45644 0.91641 0.28611 2.1441e+05 2023-02-16 05:07:54,232 INFO [main.py:643]
{rank 0/100} MD step = 438400 step time: 00:00:00.020429 Performance: 311.383 ns/day 0.077 hours/ns 36.040 steps/s 2023-02-16 05:07:54,872 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438400 43840 40.071 -39495 4391.8 -43887 -43887 -0.45671 0.91632 0.2865 2.1445e+05 2023-02-16 05:07:56,975 INFO [main.py:643]
{rank 0/100} MD step = 438500 step time: 00:00:00.020531 Performance: 311.384 ns/day 0.077 hours/ns 36.040 steps/s 2023-02-16 05:07:57,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438500 43850 39.862 -39471 4369 -43840 -43840 -0.45752 0.91628 0.28718 2.1452e+05 2023-02-16 05:07:59,706 INFO [main.py:643]
{rank 0/100} MD step = 438600 step time: 00:00:00.020397 Performance: 311.385 ns/day 0.077 hours/ns 36.040 steps/s 2023-02-16 05:08:00,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438600 43860 40.36 -39394 4423.5 -43818 -43818 -0.45726 0.91616 0.28643 2.1457e+05 2023-02-16 05:08:02,403 INFO [main.py:643]
{rank 0/100} MD step = 438700 step time: 00:00:00.020743 Performance: 311.387 ns/day 0.077 hours/ns 36.040 steps/s 2023-02-16 05:08:03,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438700 43870 40.376 -39396 4425.3 -43822 -43822 -0.45575 0.91675 0.28626 2.146e+05 2023-02-16 05:08:05,221 INFO [main.py:643]
{rank 0/100} MD step = 438800 step time: 00:00:00.020472 Performance: 311.386 ns/day 0.077 hours/ns 36.040 steps/s 2023-02-16 05:08:06,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438800 43880 40.077 -39458 4392.4 -43850 -43850 -0.45679 0.91655 0.28645 2.1466e+05 2023-02-16 05:08:08,034 INFO [main.py:643]
{rank 0/100} MD step = 438900 step time: 00:00:00.020414 Performance: 311.385 ns/day 0.077 hours/ns 36.040 steps/s 2023-02-16 05:08:08,847 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438900 43890 39.825 -39497 4364.9 -43862 -43862 -0.45631 0.91697 0.28657 2.1471e+05 2023-02-16 05:08:10,995 INFO [main.py:643]
{rank 0/100} MD step = 439000 step time: 00:00:00.020411 Performance: 311.380 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:08:11,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439000 43900 40.456 -39375 4434 -43809 -43809 -0.45694 0.91674 0.28699 2.1477e+05 2023-02-16 05:08:13,737 INFO [main.py:643]
{rank 0/100} MD step = 439100 step time: 00:00:00.020374 Performance: 311.381 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:08:14,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439100 43910 40.114 -39456 4396.5 -43852 -43852 -0.4551 0.91697 0.28736 2.1481e+05 2023-02-16 05:08:16,580 INFO [main.py:643]
{rank 0/100} MD step = 439200 step time: 00:00:00.020453 Performance: 311.379 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:08:17,353 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439200 43920 39.74 -39404 4355.6 -43759 -43759 -0.45604 0.91693 0.28724 2.1488e+05 2023-02-16 05:08:19,395 INFO [main.py:643]
{rank 0/100} MD step = 439300 step time: 00:00:00.020390 Performance: 311.378 ns/day 0.077 hours/ns 36.039 steps/s 2023-02-16 05:08:20,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439300 43930 39.761 -39498 4357.9 -43856 -43856 -0.45542 0.91718 0.288 2.1492e+05 2023-02-16 05:08:22,452 INFO [main.py:643]
{rank 0/100} MD step = 439400 step time: 00:00:00.021158 Performance: 311.371 ns/day 0.077 hours/ns 36.038 steps/s 2023-02-16 05:08:23,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439400 43940 40.037 -39511 4388.1 -43899 -43899 -0.45499 0.91742 0.28852 2.1497e+05 2023-02-16 05:08:25,220 INFO [main.py:643]
{rank 0/100} MD step = 439500 step time: 00:00:00.020453 Performance: 311.371 ns/day 0.077 hours/ns 36.038 steps/s 2023-02-16 05:08:25,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439500 43950 40.12 -39445 4397.2 -43842 -43842 -0.45441 0.91759 0.28934 2.1501e+05 2023-02-16 05:08:29,347 INFO [main.py:643]
{rank 0/100} MD step = 439600 step time: 00:00:00.020459 Performance: 311.336 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:08:30,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439600 43960 40.053 -39413 4389.8 -43803 -43803 -0.45427 0.91859 0.28952 2.1507e+05 2023-02-16 05:08:32,089 INFO [main.py:643]
{rank 0/100} MD step = 439700 step time: 00:00:00.020380 Performance: 311.337 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:08:32,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439700 43970 39.699 -39467 4351 -43818 -43818 -0.45495 0.91909 0.28944 2.1511e+05 2023-02-16 05:08:34,815 INFO [main.py:643]
{rank 0/100} MD step = 439800 step time: 00:00:00.020481 Performance: 311.338 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:08:35,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439800 43980 40.452 -39460 4433.6 -43894 -43894 -0.45579 0.92045 0.28851 2.1516e+05 2023-02-16 05:08:38,106 INFO [main.py:643]
{rank 0/100} MD step = 439900 step time: 00:00:00.020400 Performance: 311.325 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:08:38,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439900 43990 40.234 -39285 4409.6 -43695 -43695 -0.45588 0.92101 0.2883 2.1523e+05 2023-02-16 05:08:40,952 INFO [main.py:643]
{rank 0/100} MD step = 440000 step time: 00:00:00.020435 Performance: 311.323 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:08:41,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440000 44000 39.862 -39469 4368.9 -43838 -43838 -0.45667 0.92144 0.28775 2.1528e+05 2023-02-16 05:08:43,698 INFO [main.py:643]
{rank 0/100} MD step = 440100 step time: 00:00:00.020547 Performance: 311.324 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:08:44,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440100 44010 39.758 -39468 4357.5 -43826 -43826 -0.45584 0.92133 0.28845 2.1531e+05 2023-02-16 05:08:46,460 INFO [main.py:643]
{rank 0/100} MD step = 440200 step time: 00:00:00.020441 Performance: 311.325 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:08:47,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440200 44020 39.885 -39514 4371.5 -43886 -43886 -0.45546 0.92038 0.28914 2.1537e+05 2023-02-16 05:08:49,694 INFO [main.py:643]
{rank 0/100} MD step = 440300 step time: 00:00:00.020397 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:08:50,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440300 44030 39.725 -39433 4353.9 -43787 -43787 -0.45551 0.91967 0.28897 2.1543e+05 2023-02-16 05:08:52,463 INFO [main.py:643]
{rank 0/100} MD step = 440400 step time: 00:00:00.020389 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:08:53,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440400 44040 39.918 -39503 4375.1 -43878 -43878 -0.45618 0.92 0.28902 2.1548e+05 2023-02-16 05:08:55,237 INFO [main.py:643]
{rank 0/100} MD step = 440500 step time: 00:00:00.020571 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:08:55,970 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440500 44050 40.133 -39403 4398.7 -43802 -43802 -0.45582 0.92064 0.28918 2.1553e+05 2023-02-16 05:08:58,006 INFO [main.py:643]
{rank 0/100} MD step = 440600 step time: 00:00:00.027119 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:08:58,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440600 44060 39.877 -39469 4370.6 -43840 -43840 -0.45507 0.9211 0.288 2.1558e+05 2023-02-16 05:09:00,783 INFO [main.py:643]
{rank 0/100} MD step = 440700 step time: 00:00:00.020856 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:01,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440700 44070 40.111 -39489 4396.2 -43885 -43885 -0.45576 0.92078 0.28751 2.1562e+05 2023-02-16 05:09:03,488 INFO [main.py:643]
{rank 0/100} MD step = 440800 step time: 00:00:00.021045 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:04,066 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440800 44080 39.758 -39490 4357.5 -43848 -43848 -0.45577 0.92143 0.28824 2.1566e+05 2023-02-16 05:09:06,221 INFO [main.py:643]
{rank 0/100} MD step = 440900 step time: 00:00:00.020580 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:06,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440900 44090 40.12 -39468 4397.3 -43865 -43865 -0.4579 0.92219 0.28845 2.1571e+05 2023-02-16 05:09:09,004 INFO [main.py:643]
{rank 0/100} MD step = 441000 step time: 00:00:00.020376 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:09,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441000 44100 40.301 -39400 4417.1 -43817 -43817 -0.45813 0.92301 0.28847 2.1577e+05 2023-02-16 05:09:11,785 INFO [main.py:643]
{rank 0/100} MD step = 441100 step time: 00:00:00.020454 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:12,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441100 44110 39.577 -39466 4337.7 -43804 -43804 -0.45892 0.92266 0.28851 2.1582e+05 2023-02-16 05:09:14,526 INFO [main.py:643]
{rank 0/100} MD step = 441200 step time: 00:00:00.020391 Performance: 311.317 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:15,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441200 44120 40.077 -39366 4392.5 -43758 -43758 -0.4588 0.92363 0.28901 2.1586e+05 2023-02-16 05:09:17,321 INFO [main.py:643]
{rank 0/100} MD step = 441300 step time: 00:00:00.020417 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:17,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441300 44130 39.867 -39506 4369.4 -43876 -43876 -0.45926 0.92434 0.28938 2.1591e+05 2023-02-16 05:09:20,074 INFO [main.py:643]
{rank 0/100} MD step = 441400 step time: 00:00:00.020430 Performance: 311.317 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:20,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441400 44140 40.083 -39326 4393.2 -43719 -43719 -0.45912 0.92428 0.28919 2.1596e+05 2023-02-16 05:09:22,892 INFO [main.py:643]
{rank 0/100} MD step = 441500 step time: 00:00:00.020416 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:23,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441500 44150 39.847 -39457 4367.3 -43824 -43824 -0.46124 0.92481 0.28939 2.16e+05 2023-02-16 05:09:25,654 INFO [main.py:643]
{rank 0/100} MD step = 441600 step time: 00:00:00.020482 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:26,303 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441600 44160 39.347 -39567 4312.5 -43880 -43880 -0.46057 0.92504 0.29017 2.1606e+05 2023-02-16 05:09:28,454 INFO [main.py:643]
{rank 0/100} MD step = 441700 step time: 00:00:00.020349 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:29,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441700 44170 39.809 -39399 4363.1 -43763 -43763 -0.46067 0.92522 0.28982 2.1612e+05 2023-02-16 05:09:31,213 INFO [main.py:643]
{rank 0/100} MD step = 441800 step time: 00:00:00.020551 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:32,019 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441800 44180 40.138 -39414 4399.1 -43813 -43813 -0.4605 0.92537 0.28943 2.1615e+05 2023-02-16 05:09:34,066 INFO [main.py:643]
{rank 0/100} MD step = 441900 step time: 00:00:00.020452 Performance: 311.314 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:34,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441900 44190 40.431 -39425 4431.3 -43856 -43856 -0.45944 0.92485 0.28982 2.1619e+05 2023-02-16 05:09:36,783 INFO [main.py:643]
{rank 0/100} MD step = 442000 step time: 00:00:00.020483 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:37,443 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442000 44200 39.377 -39470 4315.7 -43786 -43786 -0.45999 0.9251 0.29024 2.1625e+05 2023-02-16 05:09:39,613 INFO [main.py:643]
{rank 0/100} MD step = 442100 step time: 00:00:00.020420 Performance: 311.314 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:40,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442100 44210 39.772 -39521 4359 -43880 -43880 -0.45829 0.92509 0.29031 2.1629e+05 2023-02-16 05:09:42,356 INFO [main.py:643]
{rank 0/100} MD step = 442200 step time: 00:00:00.020407 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:42,765 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442200 44220 40.187 -39434 4404.6 -43839 -43839 -0.45787 0.9259 0.2906 2.1635e+05 2023-02-16 05:09:45,196 INFO [main.py:643]
{rank 0/100} MD step = 442300 step time: 00:00:00.020282 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:09:45,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442300 44230 40.698 -39362 4460.6 -43823 -43823 -0.4587 0.92561 0.29041 2.1641e+05 2023-02-16 05:09:48,024 INFO [main.py:643]
{rank 0/100} MD step = 442400 step time: 00:00:00.020496 Performance: 311.312 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:09:48,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442400 44240 40.492 -39400 4438 -43838 -43838 -0.45864 0.92569 0.29068 2.1645e+05 2023-02-16 05:09:50,987 INFO [main.py:643]
{rank 0/100} MD step = 442500 step time: 00:00:00.020433 Performance: 311.307 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:09:51,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442500 44250 39.751 -39533 4356.7 -43890 -43890 -0.45923 0.92601 0.2911 2.165e+05 2023-02-16 05:09:53,729 INFO [main.py:643]
{rank 0/100} MD step = 442600 step time: 00:00:00.020403 Performance: 311.308 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:09:54,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442600 44260 39.486 -39416 4327.7 -43744 -43744 -0.45829 0.92599 0.29167 2.1656e+05 2023-02-16 05:09:56,438 INFO [main.py:643]
{rank 0/100} MD step = 442700 step time: 00:00:00.020473 Performance: 311.309 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:09:57,096 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442700 44270 40.269 -39435 4413.6 -43849 -43849 -0.45869 0.92615 0.2919 2.1661e+05 2023-02-16 05:09:59,140 INFO [main.py:643]
{rank 0/100} MD step = 442800 step time: 00:00:00.020482 Performance: 311.311 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:09:59,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442800 44280 39.557 -39486 4335.5 -43821 -43821 -0.45782 0.92622 0.29132 2.1666e+05 2023-02-16 05:10:01,870 INFO [main.py:643]
{rank 0/100} MD step = 442900 step time: 00:00:00.020450 Performance: 311.312 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:10:02,546 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442900 44290 39.826 -39479 4364.9 -43844 -43844 -0.45915 0.92635 0.29156 2.1671e+05 2023-02-16 05:10:04,636 INFO [main.py:643]
{rank 0/100} MD step = 443000 step time: 00:00:00.020429 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:10:05,258 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443000 44300 39.829 -39394 4365.3 -43759 -43759 -0.46032 0.92609 0.29164 2.1675e+05 2023-02-16 05:10:07,414 INFO [main.py:643]
{rank 0/100} MD step = 443100 step time: 00:00:00.020870 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:10:08,055 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443100 44310 40.014 -39420 4385.6 -43806 -43806 -0.46052 0.92601 0.29205 2.1681e+05 2023-02-16 05:10:10,108 INFO [main.py:643]
{rank 0/100} MD step = 443200 step time: 00:00:00.020559 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:10:10,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443200 44320 40.082 -39436 4393 -43829 -43829 -0.45825 0.92503 0.29133 2.1687e+05 2023-02-16 05:10:12,946 INFO [main.py:643]
{rank 0/100} MD step = 443300 step time: 00:00:00.020531 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:10:13,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443300 44330 40.115 -39422 4396.7 -43819 -43819 -0.45842 0.9253 0.29114 2.169e+05 2023-02-16 05:10:15,720 INFO [main.py:643]
{rank 0/100} MD step = 443400 step time: 00:00:00.020497 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:10:16,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443400 44340 39.514 -39499 4330.8 -43829 -43829 -0.45804 0.92602 0.29084 2.1697e+05 2023-02-16 05:10:18,905 INFO [main.py:643]
{rank 0/100} MD step = 443500 step time: 00:00:00.020601 Performance: 311.303 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:10:19,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443500 44350 40.137 -39402 4399.1 -43801 -43801 -0.45772 0.92636 0.2923 2.1702e+05 2023-02-16 05:10:21,655 INFO [main.py:643]
{rank 0/100} MD step = 443600 step time: 00:00:00.020490 Performance: 311.303 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:10:22,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443600 44360 39.833 -39476 4365.7 -43842 -43842 -0.4576 0.92684 0.29226 2.1706e+05 2023-02-16 05:10:24,361 INFO [main.py:643]
{rank 0/100} MD step = 443700 step time: 00:00:00.020423 Performance: 311.305 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:25,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443700 44370 39.837 -39434 4366.2 -43800 -43800 -0.4574 0.92706 0.29141 2.171e+05 2023-02-16 05:10:27,100 INFO [main.py:643]
{rank 0/100} MD step = 443800 step time: 00:00:00.020481 Performance: 311.306 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:27,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443800 44380 39.912 -39424 4374.4 -43798 -43798 -0.45772 0.92766 0.29121 2.1714e+05 2023-02-16 05:10:29,939 INFO [main.py:643]
{rank 0/100} MD step = 443900 step time: 00:00:00.020315 Performance: 311.304 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:30,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443900 44390 40.765 -39343 4467.9 -43811 -43811 -0.45732 0.92725 0.29175 2.1718e+05 2023-02-16 05:10:32,701 INFO [main.py:643]
{rank 0/100} MD step = 444000 step time: 00:00:00.020489 Performance: 311.305 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:33,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444000 44400 39.476 -39521 4326.6 -43848 -43848 -0.45787 0.92721 0.29146 2.1724e+05 2023-02-16 05:10:35,438 INFO [main.py:643]
{rank 0/100} MD step = 444100 step time: 00:00:00.020368 Performance: 311.306 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:36,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444100 44410 39.838 -39517 4366.3 -43883 -43883 -0.458 0.92685 0.29124 2.1729e+05 2023-02-16 05:10:38,186 INFO [main.py:643]
{rank 0/100} MD step = 444200 step time: 00:00:00.021783 Performance: 311.306 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:38,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444200 44420 39.796 -39471 4361.7 -43833 -43833 -0.45913 0.92646 0.29125 2.1734e+05 2023-02-16 05:10:40,885 INFO [main.py:643]
{rank 0/100} MD step = 444300 step time: 00:00:00.020442 Performance: 311.308 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:41,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444300 44430 40.23 -39432 4409.3 -43841 -43841 -0.46047 0.92672 0.29078 2.1738e+05 2023-02-16 05:10:43,578 INFO [main.py:643]
{rank 0/100} MD step = 444400 step time: 00:00:00.020356 Performance: 311.310 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:44,378 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444400 44440 39.936 -39397 4377 -43774 -43774 -0.46094 0.92735 0.29103 2.1743e+05 2023-02-16 05:10:46,463 INFO [main.py:643]
{rank 0/100} MD step = 444500 step time: 00:00:00.020223 Performance: 311.308 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:46,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444500 44450 39.537 -39487 4333.4 -43820 -43820 -0.46169 0.92676 0.29172 2.1748e+05 2023-02-16 05:10:49,194 INFO [main.py:643]
{rank 0/100} MD step = 444600 step time: 00:00:00.020384 Performance: 311.309 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:49,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444600 44460 39.906 -39436 4373.7 -43810 -43810 -0.46096 0.92703 0.29167 2.1752e+05 2023-02-16 05:10:51,857 INFO [main.py:643]
{rank 0/100} MD step = 444700 step time: 00:00:00.020343 Performance: 311.312 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:10:52,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444700 44470 39.697 -39435 4350.8 -43786 -43786 -0.46115 0.92683 0.29153 2.1757e+05 2023-02-16 05:10:54,596 INFO [main.py:643]
{rank 0/100} MD step = 444800 step time: 00:00:00.020812 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:10:55,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444800 44480 40.166 -39526 4402.2 -43928 -43928 -0.46211 0.92653 0.2916 2.1762e+05 2023-02-16 05:10:57,349 INFO [main.py:643]
{rank 0/100} MD step = 444900 step time: 00:00:00.020280 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:10:58,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444900 44490 39.737 -39526 4355.2 -43881 -43881 -0.46333 0.92632 0.29224 2.1766e+05 2023-02-16 05:11:00,062 INFO [main.py:643]
{rank 0/100} MD step = 445000 step time: 00:00:00.020391 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:11:00,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445000 44500 39.74 -39519 4355.5 -43874 -43874 -0.46414 0.92686 0.29214 2.1772e+05 2023-02-16 05:11:02,835 INFO [main.py:643]
{rank 0/100} MD step = 445100 step time: 00:00:00.020456 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:11:03,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445100 44510 39.786 -39467 4360.6 -43827 -43827 -0.46462 0.92736 0.292 2.1776e+05 2023-02-16 05:11:06,380 INFO [main.py:643]
{rank 0/100} MD step = 445200 step time: 00:00:00.020438 Performance: 311.295 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:07,041 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445200 44520 39.787 -39463 4360.7 -43824 -43824 -0.465 0.9271 0.29108 2.1781e+05 2023-02-16 05:11:09,127 INFO [main.py:643]
{rank 0/100} MD step = 445300 step time: 00:00:00.020367 Performance: 311.296 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:09,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445300 44530 39.721 -39458 4353.5 -43812 -43812 -0.46658 0.92721 0.29156 2.1784e+05 2023-02-16 05:11:11,818 INFO [main.py:643]
{rank 0/100} MD step = 445400 step time: 00:00:00.020373 Performance: 311.298 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:12,508 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445400 44540 39.898 -39459 4372.9 -43832 -43832 -0.46675 0.92644 0.29137 2.179e+05 2023-02-16 05:11:14,563 INFO [main.py:643]
{rank 0/100} MD step = 445500 step time: 00:00:00.020430 Performance: 311.299 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:15,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445500 44550 39.958 -39480 4379.5 -43859 -43859 -0.46715 0.92552 0.2926 2.1795e+05 2023-02-16 05:11:17,297 INFO [main.py:643]
{rank 0/100} MD step = 445600 step time: 00:00:00.020453 Performance: 311.300 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:17,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445600 44560 39.684 -39541 4349.4 -43890 -43890 -0.46654 0.92647 0.29188 2.1801e+05 2023-02-16 05:11:20,024 INFO [main.py:643]
{rank 0/100} MD step = 445700 step time: 00:00:00.020424 Performance: 311.301 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:20,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445700 44570 40.017 -39485 4385.9 -43871 -43871 -0.46605 0.92663 0.29173 2.1804e+05 2023-02-16 05:11:22,739 INFO [main.py:643]
{rank 0/100} MD step = 445800 step time: 00:00:00.020463 Performance: 311.303 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:23,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445800 44580 39.447 -39493 4323.5 -43816 -43816 -0.46592 0.92639 0.29154 2.1809e+05 2023-02-16 05:11:25,455 INFO [main.py:643]
{rank 0/100} MD step = 445900 step time: 00:00:00.020555 Performance: 311.304 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:11:26,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445900 44590 40.698 -39405 4460.6 -43866 -43866 -0.46599 0.92599 0.2913 2.1814e+05 2023-02-16 05:11:28,263 INFO [main.py:643]
{rank 0/100} MD step = 446000 step time: 00:00:00.021830 Performance: 311.303 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:29,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446000 44600 39.963 -39471 4380 -43851 -43851 -0.46621 0.92597 0.2921 2.1819e+05 2023-02-16 05:11:31,242 INFO [main.py:643]
{rank 0/100} MD step = 446100 step time: 00:00:00.021240 Performance: 311.298 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:31,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446100 44610 40.175 -39379 4403.2 -43782 -43782 -0.46624 0.9257 0.29159 2.1823e+05 2023-02-16 05:11:33,950 INFO [main.py:643]
{rank 0/100} MD step = 446200 step time: 00:00:00.020357 Performance: 311.300 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:34,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446200 44620 39.615 -39482 4341.8 -43824 -43824 -0.4659 0.92569 0.2908 2.1828e+05 2023-02-16 05:11:36,896 INFO [main.py:643]
{rank 0/100} MD step = 446300 step time: 00:00:00.020474 Performance: 311.296 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:37,562 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446300 44630 40.525 -39453 4441.6 -43894 -43894 -0.46531 0.92513 0.29064 2.1833e+05 2023-02-16 05:11:39,614 INFO [main.py:643]
{rank 0/100} MD step = 446400 step time: 00:00:00.020435 Performance: 311.297 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:40,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446400 44640 39.067 -39494 4281.8 -43776 -43776 -0.46536 0.92569 0.29089 2.1837e+05 2023-02-16 05:11:42,293 INFO [main.py:643]
{rank 0/100} MD step = 446500 step time: 00:00:00.020387 Performance: 311.300 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:42,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446500 44650 40.616 -39351 4451.5 -43803 -43803 -0.46526 0.92634 0.29033 2.1842e+05 2023-02-16 05:11:45,004 INFO [main.py:643]
{rank 0/100} MD step = 446600 step time: 00:00:00.020446 Performance: 311.301 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:45,532 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446600 44660 39.564 -39460 4336.2 -43796 -43796 -0.46494 0.92649 0.2903 2.1849e+05 2023-02-16 05:11:47,879 INFO [main.py:643]
{rank 0/100} MD step = 446700 step time: 00:00:00.020458 Performance: 311.299 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:48,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446700 44670 40.112 -39440 4396.3 -43836 -43836 -0.46494 0.92693 0.29 2.1854e+05 2023-02-16 05:11:50,605 INFO [main.py:643]
{rank 0/100} MD step = 446800 step time: 00:00:00.020440 Performance: 311.300 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:51,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446800 44680 39.822 -39517 4364.5 -43882 -43882 -0.46525 0.92786 0.29009 2.1859e+05 2023-02-16 05:11:53,386 INFO [main.py:643]
{rank 0/100} MD step = 446900 step time: 00:00:00.020514 Performance: 311.300 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:53,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446900 44690 39.95 -39517 4378.6 -43896 -43896 -0.46581 0.9284 0.29144 2.1865e+05 2023-02-16 05:11:56,197 INFO [main.py:643]
{rank 0/100} MD step = 447000 step time: 00:00:00.020566 Performance: 311.299 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:56,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447000 44700 39.842 -39454 4366.7 -43820 -43820 -0.46551 0.92853 0.29011 2.1869e+05 2023-02-16 05:11:58,952 INFO [main.py:643]
{rank 0/100} MD step = 447100 step time: 00:00:00.020260 Performance: 311.299 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:11:59,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447100 44710 39.549 -39452 4334.6 -43787 -43787 -0.46667 0.92878 0.28996 2.1872e+05 2023-02-16 05:12:01,756 INFO [main.py:643]
{rank 0/100} MD step = 447200 step time: 00:00:00.020324 Performance: 311.299 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:12:02,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447200 44720 40.11 -39380 4396.1 -43776 -43776 -0.46574 0.92824 0.29042 2.1878e+05 2023-02-16 05:12:04,567 INFO [main.py:643]
{rank 0/100} MD step = 447300 step time: 00:00:00.020554 Performance: 311.298 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:12:05,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447300 44730 39.886 -39416 4371.5 -43787 -43787 -0.46477 0.9289 0.29071 2.1883e+05 2023-02-16 05:12:07,315 INFO [main.py:643]
{rank 0/100} MD step = 447400 step time: 00:00:00.020525 Performance: 311.299 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:12:07,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447400 44740 39.506 -39499 4329.9 -43829 -43829 -0.46367 0.92851 0.29019 2.1886e+05 2023-02-16 05:12:10,035 INFO [main.py:643]
{rank 0/100} MD step = 447500 step time: 00:00:00.020517 Performance: 311.300 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:12:10,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447500 44750 40.573 -39370 4446.8 -43817 -43817 -0.46172 0.9284 0.28924 2.1892e+05 2023-02-16 05:12:12,818 INFO [main.py:643]
{rank 0/100} MD step = 447600 step time: 00:00:00.020501 Performance: 311.300 ns/day 0.077 hours/ns 36.030 steps/s 2023-02-16 05:12:13,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447600 44760 39.961 -39444 4379.8 -43824 -43824 -0.46092 0.92946 0.29081 2.1896e+05 2023-02-16 05:12:15,433 INFO [main.py:643]
{rank 0/100} MD step = 447700 step time: 00:00:00.020577 Performance: 311.304 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:12:15,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447700 44770 40.254 -39450 4411.9 -43862 -43862 -0.46174 0.92904 0.29069 2.1903e+05 2023-02-16 05:12:18,123 INFO [main.py:643]
{rank 0/100} MD step = 447800 step time: 00:00:00.020420 Performance: 311.306 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:12:18,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447800 44780 40.12 -39388 4397.2 -43785 -43785 -0.46323 0.92931 0.29066 2.1907e+05 2023-02-16 05:12:20,849 INFO [main.py:643]
{rank 0/100} MD step = 447900 step time: 00:00:00.020399 Performance: 311.307 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:12:21,253 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447900 44790 39.954 -39526 4379 -43905 -43905 -0.46181 0.92937 0.29114 2.1912e+05 2023-02-16 05:12:23,606 INFO [main.py:643]
{rank 0/100} MD step = 448000 step time: 00:00:00.020309 Performance: 311.308 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:12:24,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448000 44800 39.853 -39477 4367.9 -43845 -43845 -0.46191 0.92988 0.29164 2.1916e+05 2023-02-16 05:12:26,318 INFO [main.py:643]
{rank 0/100} MD step = 448100 step time: 00:00:00.020973 Performance: 311.309 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:12:26,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448100 44810 39.997 -39462 4383.7 -43846 -43846 -0.46295 0.93066 0.29195 2.192e+05 2023-02-16 05:12:29,054 INFO [main.py:643]
{rank 0/100} MD step = 448200 step time: 00:00:00.020487 Performance: 311.310 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:12:29,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448200 44820 39.746 -39521 4356.2 -43877 -43877 -0.46238 0.93126 0.29244 2.1927e+05 2023-02-16 05:12:31,780 INFO [main.py:643]
{rank 0/100} MD step = 448300 step time: 00:00:00.020445 Performance: 311.311 ns/day 0.077 hours/ns 36.031 steps/s 2023-02-16 05:12:32,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448300 44830 40.062 -39462 4390.9 -43853 -43853 -0.46385 0.93057 0.29311 2.1932e+05 2023-02-16 05:12:34,506 INFO [main.py:643]
{rank 0/100} MD step = 448400 step time: 00:00:00.020381 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:12:35,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448400 44840 39.787 -39501 4360.7 -43862 -43862 -0.46372 0.93056 0.29285 2.1936e+05 2023-02-16 05:12:37,293 INFO [main.py:643]
{rank 0/100} MD step = 448500 step time: 00:00:00.020481 Performance: 311.312 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:12:37,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448500 44850 39.609 -39470 4341.2 -43811 -43811 -0.46305 0.93029 0.29284 2.1941e+05 2023-02-16 05:12:40,052 INFO [main.py:643]
{rank 0/100} MD step = 448600 step time: 00:00:00.020608 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:12:40,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448600 44860 40.176 -39419 4403.3 -43822 -43822 -0.464 0.92977 0.29244 2.1948e+05 2023-02-16 05:12:42,767 INFO [main.py:643]
{rank 0/100} MD step = 448700 step time: 00:00:00.020550 Performance: 311.314 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:12:43,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448700 44870 39.911 -39512 4374.2 -43886 -43886 -0.46597 0.93039 0.29316 2.1953e+05 2023-02-16 05:12:45,531 INFO [main.py:643]
{rank 0/100} MD step = 448800 step time: 00:00:00.020438 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:12:46,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448800 44880 39.714 -39473 4352.7 -43826 -43826 -0.46583 0.93092 0.29386 2.1957e+05 2023-02-16 05:12:48,262 INFO [main.py:643]
{rank 0/100} MD step = 448900 step time: 00:00:00.022067 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:12:48,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448900 44890 40.239 -39509 4410.2 -43919 -43919 -0.46587 0.93087 0.29444 2.1963e+05 2023-02-16 05:12:50,913 INFO [main.py:643]
{rank 0/100} MD step = 449000 step time: 00:00:00.020549 Performance: 311.319 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:12:51,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449000 44900 39.682 -39499 4349.2 -43848 -43848 -0.46497 0.93017 0.29435 2.1968e+05 2023-02-16 05:12:53,648 INFO [main.py:643]
{rank 0/100} MD step = 449100 step time: 00:00:00.020565 Performance: 311.320 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:12:54,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449100 44910 40.461 -39346 4434.6 -43780 -43780 -0.46719 0.92969 0.29494 2.1974e+05 2023-02-16 05:12:56,354 INFO [main.py:643]
{rank 0/100} MD step = 449200 step time: 00:00:00.020514 Performance: 311.321 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:12:57,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449200 44920 39.589 -39554 4339 -43893 -43893 -0.46738 0.92962 0.29506 2.1978e+05 2023-02-16 05:12:59,129 INFO [main.py:643]
{rank 0/100} MD step = 449300 step time: 00:00:00.020441 Performance: 311.322 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:12:59,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449300 44930 40.012 -39513 4385.4 -43898 -43898 -0.46675 0.92904 0.29556 2.1984e+05 2023-02-16 05:13:02,031 INFO [main.py:643]
{rank 0/100} MD step = 449400 step time: 00:00:00.020482 Performance: 311.318 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:13:02,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449400 44940 39.958 -39445 4379.4 -43824 -43824 -0.46746 0.93058 0.29557 2.1988e+05 2023-02-16 05:13:04,817 INFO [main.py:643]
{rank 0/100} MD step = 449500 step time: 00:00:00.020361 Performance: 311.318 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:13:05,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449500 44950 39.842 -39450 4366.8 -43816 -43816 -0.46854 0.93054 0.29637 2.1995e+05 2023-02-16 05:13:07,643 INFO [main.py:643]
{rank 0/100} MD step = 449600 step time: 00:00:00.020437 Performance: 311.317 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:13:08,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449600 44960 39.35 -39539 4312.8 -43852 -43852 -0.46914 0.92955 0.2962 2.1998e+05 2023-02-16 05:13:10,429 INFO [main.py:643]
{rank 0/100} MD step = 449700 step time: 00:00:00.020480 Performance: 311.317 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:13:10,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449700 44970 40.01 -39503 4385.1 -43888 -43888 -0.47117 0.93031 0.29638 2.2005e+05 2023-02-16 05:13:13,131 INFO [main.py:643]
{rank 0/100} MD step = 449800 step time: 00:00:00.020421 Performance: 311.318 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:13:13,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449800 44980 39.846 -39505 4367.1 -43872 -43872 -0.46986 0.92977 0.2971 2.2008e+05 2023-02-16 05:13:15,863 INFO [main.py:643]
{rank 0/100} MD step = 449900 step time: 00:00:00.020262 Performance: 311.319 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:13:16,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449900 44990 39.482 -39461 4327.3 -43788 -43788 -0.46883 0.93051 0.29644 2.2012e+05 2023-02-16 05:13:18,623 INFO [main.py:643]
{rank 0/100} MD step = 450000 step time: 00:00:00.020504 Performance: 311.320 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:13:19,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450000 45000 40.083 -39478 4393.2 -43871 -43871 -0.46675 0.93003 0.29632 2.2017e+05 2023-02-16 05:13:21,368 INFO [main.py:643]
{rank 0/100} MD step = 450100 step time: 00:00:00.020426 Performance: 311.321 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:13:22,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450100 45010 40.203 -39481 4406.3 -43888 -43888 -0.46657 0.93081 0.2962 2.2021e+05 2023-02-16 05:13:24,088 INFO [main.py:643]
{rank 0/100} MD step = 450200 step time: 00:00:00.020427 Performance: 311.322 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:13:24,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450200 45020 39.476 -39480 4326.7 -43806 -43806 -0.46726 0.93112 0.2959 2.2026e+05 2023-02-16 05:13:26,781 INFO [main.py:643]
{rank 0/100} MD step = 450300 step time: 00:00:00.020509 Performance: 311.324 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:13:27,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450300 45030 40.098 -39470 4394.7 -43865 -43865 -0.46841 0.93115 0.29537 2.2029e+05 2023-02-16 05:13:29,475 INFO [main.py:643]
{rank 0/100} MD step = 450400 step time: 00:00:00.020623 Performance: 311.326 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:13:30,163 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450400 45040 40.89 -39352 4481.6 -43834 -43834 -0.46926 0.9306 0.29545 2.2035e+05 2023-02-16 05:13:32,189 INFO [main.py:643]
{rank 0/100} MD step = 450500 step time: 00:00:00.020351 Performance: 311.328 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:13:32,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450500 45050 39.905 -39494 4373.6 -43867 -43867 -0.46912 0.93064 0.29611 2.2039e+05 2023-02-16 05:13:34,909 INFO [main.py:643]
{rank 0/100} MD step = 450600 step time: 00:00:00.020323 Performance: 311.329 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:13:35,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450600 45060 40.161 -39415 4401.7 -43817 -43817 -0.46997 0.93059 0.29587 2.2044e+05 2023-02-16 05:13:37,698 INFO [main.py:643]
{rank 0/100} MD step = 450700 step time: 00:00:00.020510 Performance: 311.329 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:13:38,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450700 45070 39.733 -39514 4354.8 -43868 -43868 -0.47086 0.93095 0.29649 2.2048e+05 2023-02-16 05:13:40,417 INFO [main.py:643]
{rank 0/100} MD step = 450800 step time: 00:00:00.020376 Performance: 311.330 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:13:41,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450800 45080 39.923 -39489 4375.6 -43864 -43864 -0.4702 0.93146 0.29731 2.2054e+05 2023-02-16 05:13:43,229 INFO [main.py:643]
{rank 0/100} MD step = 450900 step time: 00:00:00.020555 Performance: 311.329 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:13:43,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450900 45090 40.322 -39449 4419.3 -43868 -43868 -0.47006 0.93097 0.29753 2.2058e+05 2023-02-16 05:13:45,926 INFO [main.py:643]
{rank 0/100} MD step = 451000 step time: 00:00:00.020381 Performance: 311.331 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:13:46,631 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451000 45100 40.224 -39382 4408.6 -43791 -43791 -0.46939 0.93089 0.29779 2.2063e+05 2023-02-16 05:13:48,673 INFO [main.py:643]
{rank 0/100} MD step = 451100 step time: 00:00:00.020429 Performance: 311.332 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:13:49,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451100 45110 39.504 -39596 4329.6 -43926 -43926 -0.46731 0.93146 0.29891 2.2067e+05 2023-02-16 05:13:51,375 INFO [main.py:643]
{rank 0/100} MD step = 451200 step time: 00:00:00.020502 Performance: 311.334 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:13:52,026 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451200 45120 39.822 -39462 4364.5 -43827 -43827 -0.46888 0.93148 0.29868 2.2072e+05 2023-02-16 05:13:54,055 INFO [main.py:643]
{rank 0/100} MD step = 451300 step time: 00:00:00.020415 Performance: 311.336 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:13:54,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451300 45130 39.995 -39433 4383.5 -43817 -43817 -0.46961 0.93219 0.29781 2.2078e+05 2023-02-16 05:13:56,727 INFO [main.py:643]
{rank 0/100} MD step = 451400 step time: 00:00:00.020383 Performance: 311.338 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:13:57,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451400 45140 39.992 -39369 4383.2 -43752 -43752 -0.47043 0.933 0.29752 2.2085e+05 2023-02-16 05:13:59,500 INFO [main.py:643]
{rank 0/100} MD step = 451500 step time: 00:00:00.020540 Performance: 311.339 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:13:59,978 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451500 45150 39.611 -39536 4341.5 -43878 -43878 -0.46977 0.93275 0.29669 2.2088e+05 2023-02-16 05:14:02,308 INFO [main.py:643]
{rank 0/100} MD step = 451600 step time: 00:00:00.020371 Performance: 311.338 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:03,275 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451600 45160 39.732 -39545 4354.7 -43900 -43900 -0.46928 0.93329 0.29617 2.2091e+05 2023-02-16 05:14:05,304 INFO [main.py:643]
{rank 0/100} MD step = 451700 step time: 00:00:00.020516 Performance: 311.332 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:05,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451700 45170 40.37 -39452 4424.6 -43876 -43876 -0.46985 0.93401 0.29635 2.2095e+05 2023-02-16 05:14:08,211 INFO [main.py:643]
{rank 0/100} MD step = 451800 step time: 00:00:00.021948 Performance: 311.329 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:14:09,003 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451800 45180 39.749 -39460 4356.6 -43817 -43817 -0.47031 0.93516 0.2972 2.2102e+05 2023-02-16 05:14:11,035 INFO [main.py:643]
{rank 0/100} MD step = 451900 step time: 00:00:00.020523 Performance: 311.328 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:14:11,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451900 45190 39.893 -39475 4372.3 -43847 -43847 -0.46879 0.93526 0.2972 2.2105e+05 2023-02-16 05:14:13,685 INFO [main.py:643]
{rank 0/100} MD step = 452000 step time: 00:00:00.020549 Performance: 311.331 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:14,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452000 45200 40.188 -39483 4404.7 -43888 -43888 -0.46801 0.93556 0.29764 2.211e+05 2023-02-16 05:14:16,377 INFO [main.py:643]
{rank 0/100} MD step = 452100 step time: 00:00:00.020616 Performance: 311.333 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:17,061 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452100 45210 39.956 -39499 4379.2 -43878 -43878 -0.46738 0.93683 0.29788 2.2115e+05 2023-02-16 05:14:19,119 INFO [main.py:643]
{rank 0/100} MD step = 452200 step time: 00:00:00.020512 Performance: 311.334 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:19,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452200 45220 39.732 -39462 4354.7 -43817 -43817 -0.46726 0.93668 0.29834 2.2123e+05 2023-02-16 05:14:21,802 INFO [main.py:643]
{rank 0/100} MD step = 452300 step time: 00:00:00.020607 Performance: 311.336 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:22,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452300 45230 39.946 -39459 4378.2 -43837 -43837 -0.46673 0.93626 0.29857 2.2127e+05 2023-02-16 05:14:24,499 INFO [main.py:643]
{rank 0/100} MD step = 452400 step time: 00:00:00.020264 Performance: 311.338 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:24,887 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452400 45240 40.037 -39395 4388.1 -43783 -43783 -0.46545 0.93729 0.29865 2.2131e+05 2023-02-16 05:14:27,326 INFO [main.py:643]
{rank 0/100} MD step = 452500 step time: 00:00:00.020362 Performance: 311.337 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:27,985 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452500 45250 39.586 -39530 4338.7 -43869 -43869 -0.46507 0.93749 0.29859 2.2137e+05 2023-02-16 05:14:30,107 INFO [main.py:643]
{rank 0/100} MD step = 452600 step time: 00:00:00.020588 Performance: 311.337 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:30,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452600 45260 40.036 -39400 4388 -43788 -43788 -0.46576 0.93742 0.29859 2.2141e+05 2023-02-16 05:14:32,873 INFO [main.py:643]
{rank 0/100} MD step = 452700 step time: 00:00:00.020537 Performance: 311.337 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:33,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452700 45270 39.751 -39455 4356.8 -43812 -43812 -0.46567 0.93738 0.29878 2.2146e+05 2023-02-16 05:14:35,619 INFO [main.py:643]
{rank 0/100} MD step = 452800 step time: 00:00:00.020446 Performance: 311.337 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:36,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452800 45280 39.672 -39529 4348.1 -43877 -43877 -0.46655 0.93807 0.29843 2.2151e+05 2023-02-16 05:14:38,495 INFO [main.py:643]
{rank 0/100} MD step = 452900 step time: 00:00:00.020345 Performance: 311.335 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:39,316 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452900 45290 39.673 -39440 4348.2 -43788 -43788 -0.46683 0.93824 0.29823 2.2157e+05 2023-02-16 05:14:41,367 INFO [main.py:643]
{rank 0/100} MD step = 453000 step time: 00:00:00.020334 Performance: 311.333 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:42,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453000 45300 39.183 -39526 4294.5 -43821 -43821 -0.46731 0.93869 0.2976 2.2162e+05 2023-02-16 05:14:44,061 INFO [main.py:643]
{rank 0/100} MD step = 453100 step time: 00:00:00.020530 Performance: 311.335 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:44,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453100 45310 40.115 -39512 4396.6 -43908 -43908 -0.4675 0.93935 0.29845 2.2166e+05 2023-02-16 05:14:46,781 INFO [main.py:643]
{rank 0/100} MD step = 453200 step time: 00:00:00.020370 Performance: 311.336 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:47,590 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453200 45320 39.947 -39451 4378.2 -43829 -43829 -0.46714 0.93958 0.29905 2.2171e+05 2023-02-16 05:14:49,669 INFO [main.py:643]
{rank 0/100} MD step = 453300 step time: 00:00:00.020790 Performance: 311.333 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:50,325 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453300 45330 40.366 -39314 4424.2 -43738 -43738 -0.46883 0.94019 0.29947 2.2176e+05 2023-02-16 05:14:52,372 INFO [main.py:643]
{rank 0/100} MD step = 453400 step time: 00:00:00.020404 Performance: 311.335 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:52,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453400 45340 40.312 -39450 4418.3 -43869 -43869 -0.46964 0.94011 0.30047 2.218e+05 2023-02-16 05:14:55,145 INFO [main.py:643]
{rank 0/100} MD step = 453500 step time: 00:00:00.020341 Performance: 311.335 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:55,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453500 45350 40.089 -39358 4393.8 -43752 -43752 -0.46955 0.94042 0.30105 2.2186e+05 2023-02-16 05:14:57,879 INFO [main.py:643]
{rank 0/100} MD step = 453600 step time: 00:00:00.020355 Performance: 311.336 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:14:58,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453600 45360 39.207 -39602 4297.1 -43899 -43899 -0.46936 0.9397 0.30105 2.2189e+05 2023-02-16 05:15:00,618 INFO [main.py:643]
{rank 0/100} MD step = 453700 step time: 00:00:00.020375 Performance: 311.337 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:15:00,986 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453700 45370 39.605 -39417 4340.8 -43758 -43758 -0.47015 0.93977 0.30148 2.2196e+05 2023-02-16 05:15:03,302 INFO [main.py:643]
{rank 0/100} MD step = 453800 step time: 00:00:00.020419 Performance: 311.339 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:04,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453800 45380 40.053 -39415 4389.8 -43805 -43805 -0.47121 0.93964 0.30212 2.2199e+05 2023-02-16 05:15:06,062 INFO [main.py:643]
{rank 0/100} MD step = 453900 step time: 00:00:00.020672 Performance: 311.340 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:06,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453900 45390 39.784 -39536 4360.4 -43897 -43897 -0.47229 0.94055 0.30335 2.2203e+05 2023-02-16 05:15:08,801 INFO [main.py:643]
{rank 0/100} MD step = 454000 step time: 00:00:00.020427 Performance: 311.340 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:09,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454000 45400 40.469 -39412 4435.5 -43848 -43848 -0.47239 0.94139 0.30308 2.2208e+05 2023-02-16 05:15:11,606 INFO [main.py:643]
{rank 0/100} MD step = 454100 step time: 00:00:00.020463 Performance: 311.340 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:12,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454100 45410 39.756 -39484 4357.3 -43841 -43841 -0.47017 0.94218 0.30334 2.2212e+05 2023-02-16 05:15:14,347 INFO [main.py:643]
{rank 0/100} MD step = 454200 step time: 00:00:00.020294 Performance: 311.341 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:15,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454200 45420 39.706 -39480 4351.8 -43832 -43832 -0.46902 0.9424 0.30291 2.2219e+05 2023-02-16 05:15:17,098 INFO [main.py:643]
{rank 0/100} MD step = 454300 step time: 00:00:00.020641 Performance: 311.341 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:17,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454300 45430 39.514 -39460 4330.8 -43791 -43791 -0.47046 0.9419 0.30242 2.2224e+05 2023-02-16 05:15:19,947 INFO [main.py:643]
{rank 0/100} MD step = 454400 step time: 00:00:00.020338 Performance: 311.339 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:20,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454400 45440 40.246 -39363 4411 -43774 -43774 -0.47104 0.94177 0.30155 2.2229e+05 2023-02-16 05:15:22,699 INFO [main.py:643]
{rank 0/100} MD step = 454500 step time: 00:00:00.020536 Performance: 311.340 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:23,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454500 45450 39.279 -39475 4305 -43780 -43780 -0.47062 0.94256 0.30147 2.2234e+05 2023-02-16 05:15:25,427 INFO [main.py:643]
{rank 0/100} MD step = 454600 step time: 00:00:00.020370 Performance: 311.341 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:26,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454600 45460 39.64 -39465 4344.5 -43810 -43810 -0.46969 0.94309 0.30136 2.2238e+05 2023-02-16 05:15:28,145 INFO [main.py:643]
{rank 0/100} MD step = 454700 step time: 00:00:00.020450 Performance: 311.342 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:28,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454700 45470 39.912 -39371 4374.4 -43745 -43745 -0.46888 0.9428 0.3014 2.2242e+05 2023-02-16 05:15:30,968 INFO [main.py:643]
{rank 0/100} MD step = 454800 step time: 00:00:00.020428 Performance: 311.341 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:31,450 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454800 45480 39.885 -39524 4371.5 -43895 -43895 -0.4689 0.94274 0.30193 2.2247e+05 2023-02-16 05:15:33,666 INFO [main.py:643]
{rank 0/100} MD step = 454900 step time: 00:00:00.020432 Performance: 311.343 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:34,365 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454900 45490 40.118 -39520 4396.9 -43917 -43917 -0.47005 0.94261 0.30065 2.2251e+05 2023-02-16 05:15:36,392 INFO [main.py:643]
{rank 0/100} MD step = 455000 step time: 00:00:00.020502 Performance: 311.344 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:37,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455000 45500 40.361 -39333 4423.6 -43757 -43757 -0.46901 0.94265 0.30141 2.2257e+05 2023-02-16 05:15:39,136 INFO [main.py:643]
{rank 0/100} MD step = 455100 step time: 00:00:00.020506 Performance: 311.345 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:39,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455100 45510 39.919 -39406 4375.1 -43781 -43781 -0.46838 0.94289 0.30204 2.2261e+05 2023-02-16 05:15:41,825 INFO [main.py:643]
{rank 0/100} MD step = 455200 step time: 00:00:00.020220 Performance: 311.347 ns/day 0.077 hours/ns 36.036 steps/s 2023-02-16 05:15:42,578 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455200 45520 39.224 -39586 4299 -43885 -43885 -0.46932 0.94325 0.30272 2.2266e+05 2023-02-16 05:15:44,692 INFO [main.py:643]
{rank 0/100} MD step = 455300 step time: 00:00:00.020473 Performance: 311.345 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:45,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455300 45530 39.675 -39389 4348.4 -43738 -43738 -0.47017 0.94356 0.30329 2.2271e+05 2023-02-16 05:15:47,492 INFO [main.py:643]
{rank 0/100} MD step = 455400 step time: 00:00:00.020373 Performance: 311.344 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:48,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455400 45540 39.542 -39533 4333.9 -43867 -43867 -0.47132 0.94448 0.30284 2.2278e+05 2023-02-16 05:15:50,323 INFO [main.py:643]
{rank 0/100} MD step = 455500 step time: 00:00:00.020367 Performance: 311.343 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:50,998 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455500 45550 40.301 -39464 4417.1 -43881 -43881 -0.47081 0.9451 0.30327 2.2283e+05 2023-02-16 05:15:53,054 INFO [main.py:643]
{rank 0/100} MD step = 455600 step time: 00:00:00.020434 Performance: 311.344 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:53,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455600 45560 40.12 -39381 4397.2 -43778 -43778 -0.47085 0.94542 0.30337 2.2288e+05 2023-02-16 05:15:55,755 INFO [main.py:643]
{rank 0/100} MD step = 455700 step time: 00:00:00.020435 Performance: 311.346 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:56,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455700 45570 40.691 -39380 4459.8 -43840 -43840 -0.46982 0.94482 0.30311 2.2291e+05 2023-02-16 05:15:58,593 INFO [main.py:643]
{rank 0/100} MD step = 455800 step time: 00:00:00.020362 Performance: 311.344 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:15:59,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455800 45580 40.501 -39476 4439 -43915 -43915 -0.46948 0.94454 0.30364 2.2297e+05 2023-02-16 05:16:01,376 INFO [main.py:643]
{rank 0/100} MD step = 455900 step time: 00:00:00.020366 Performance: 311.344 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:16:02,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455900 45590 40.242 -39413 4410.6 -43823 -43823 -0.46751 0.94542 0.30326 2.2303e+05 2023-02-16 05:16:04,079 INFO [main.py:643]
{rank 0/100} MD step = 456000 step time: 00:00:00.020632 Performance: 311.346 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:16:04,590 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456000 45600 40.182 -39416 4404 -43820 -43820 -0.46726 0.94575 0.30386 2.2306e+05 2023-02-16 05:16:06,930 INFO [main.py:643]
{rank 0/100} MD step = 456100 step time: 00:00:00.020396 Performance: 311.344 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:16:07,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456100 45610 39.79 -39489 4361 -43850 -43850 -0.46726 0.94666 0.3047 2.2312e+05 2023-02-16 05:16:09,701 INFO [main.py:643]
{rank 0/100} MD step = 456200 step time: 00:00:00.020511 Performance: 311.344 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:16:10,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456200 45620 40.494 -39418 4438.2 -43856 -43856 -0.46827 0.94697 0.30473 2.2316e+05 2023-02-16 05:16:12,425 INFO [main.py:643]
{rank 0/100} MD step = 456300 step time: 00:00:00.020586 Performance: 311.345 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:16:12,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456300 45630 39.658 -39462 4346.6 -43809 -43809 -0.46782 0.94722 0.30535 2.2321e+05 2023-02-16 05:16:15,191 INFO [main.py:643]
{rank 0/100} MD step = 456400 step time: 00:00:00.020356 Performance: 311.346 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:16:15,898 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456400 45640 39.748 -39479 4356.4 -43835 -43835 -0.46837 0.94672 0.30592 2.2326e+05 2023-02-16 05:16:17,989 INFO [main.py:643]
{rank 0/100} MD step = 456500 step time: 00:00:00.020413 Performance: 311.345 ns/day 0.077 hours/ns 36.035 steps/s 2023-02-16 05:16:18,549 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456500 45650 40.002 -39526 4384.2 -43910 -43910 -0.4688 0.94651 0.30634 2.2331e+05 2023-02-16 05:16:20,681 INFO [main.py:643]
{rank 0/100} MD step = 456600 step time: 00:00:00.020443 Performance: 311.347 ns/day 0.077 hours/ns 36.036 steps/s 2023-02-16 05:16:21,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456600 45660 40.307 -39412 4417.6 -43829 -43829 -0.4692 0.9472 0.30582 2.2336e+05 2023-02-16 05:16:23,382 INFO [main.py:643]
{rank 0/100} MD step = 456700 step time: 00:00:00.020636 Performance: 311.349 ns/day 0.077 hours/ns 36.036 steps/s 2023-02-16 05:16:23,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456700 45670 39.938 -39413 4377.3 -43790 -43790 -0.46913 0.94734 0.30564 2.2342e+05 2023-02-16 05:16:26,032 INFO [main.py:643]
{rank 0/100} MD step = 456800 step time: 00:00:00.020305 Performance: 311.352 ns/day 0.077 hours/ns 36.036 steps/s 2023-02-16 05:16:26,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456800 45680 40.32 -39418 4419.1 -43837 -43837 -0.46923 0.94803 0.30564 2.2347e+05 2023-02-16 05:16:28,764 INFO [main.py:643]
{rank 0/100} MD step = 456900 step time: 00:00:00.020448 Performance: 311.353 ns/day 0.077 hours/ns 36.036 steps/s 2023-02-16 05:16:29,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456900 45690 39.896 -39540 4372.6 -43913 -43913 -0.46862 0.94884 0.30511 2.2351e+05 2023-02-16 05:16:31,472 INFO [main.py:643]
{rank 0/100} MD step = 457000 step time: 00:00:00.020429 Performance: 311.355 ns/day 0.077 hours/ns 36.036 steps/s 2023-02-16 05:16:32,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457000 45700 39.925 -39437 4375.8 -43812 -43812 -0.46854 0.94811 0.30538 2.2355e+05 2023-02-16 05:16:34,192 INFO [main.py:643]
{rank 0/100} MD step = 457100 step time: 00:00:00.020525 Performance: 311.356 ns/day 0.077 hours/ns 36.037 steps/s 2023-02-16 05:16:34,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457100 45710 40.038 -39500 4388.2 -43888 -43888 -0.4684 0.94962 0.30445 2.236e+05 2023-02-16 05:16:36,954 INFO [main.py:643]
{rank 0/100} MD step = 457200 step time: 00:00:00.020372 Performance: 311.356 ns/day 0.077 hours/ns 36.037 steps/s 2023-02-16 05:16:37,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457200 45720 40.657 -39301 4456 -43757 -43757 -0.4679 0.94962 0.3047 2.2367e+05 2023-02-16 05:16:39,649 INFO [main.py:643]
{rank 0/100} MD step = 457300 step time: 00:00:00.020552 Performance: 311.358 ns/day 0.077 hours/ns 36.037 steps/s 2023-02-16 05:16:40,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457300 45730 39.73 -39498 4354.5 -43852 -43852 -0.46747 0.94996 0.30505 2.2371e+05 2023-02-16 05:16:42,400 INFO [main.py:643]
{rank 0/100} MD step = 457400 step time: 00:00:00.020519 Performance: 311.359 ns/day 0.077 hours/ns 36.037 steps/s 2023-02-16 05:16:43,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457400 45740 40.223 -39462 4408.5 -43870 -43870 -0.46883 0.95076 0.30481 2.2376e+05 2023-02-16 05:16:45,201 INFO [main.py:643]
{rank 0/100} MD step = 457500 step time: 00:00:00.020404 Performance: 311.358 ns/day 0.077 hours/ns 36.037 steps/s 2023-02-16 05:16:45,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457500 45750 39.819 -39464 4364.2 -43828 -43828 -0.47041 0.95144 0.30548 2.2381e+05 2023-02-16 05:16:47,918 INFO [main.py:643]
{rank 0/100} MD step = 457600 step time: 00:00:00.020544 Performance: 311.360 ns/day 0.077 hours/ns 36.037 steps/s 2023-02-16 05:16:49,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457600 45760 40.326 -39476 4419.7 -43895 -43895 -0.46971 0.95173 0.30495 2.2387e+05 2023-02-16 05:16:51,043 INFO [main.py:643]
{rank 0/100} MD step = 457700 step time: 00:00:00.020365 Performance: 311.351 ns/day 0.077 hours/ns 36.036 steps/s 2023-02-16 05:16:52,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457700 45770 40.198 -39368 4405.7 -43774 -43774 -0.46993 0.95175 0.30446 2.2391e+05 2023-02-16 05:16:54,639 INFO [main.py:643]
{rank 0/100} MD step = 457800 step time: 00:00:00.020417 Performance: 311.331 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:16:55,130 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457800 45780 39.532 -39457 4332.8 -43790 -43790 -0.47064 0.95177 0.30491 2.2396e+05 2023-02-16 05:16:57,177 INFO [main.py:643]
{rank 0/100} MD step = 457900 step time: 00:00:00.020384 Performance: 311.337 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:16:57,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457900 45790 39.689 -39525 4349.9 -43875 -43875 -0.47153 0.95144 0.30374 2.24e+05 2023-02-16 05:16:59,947 INFO [main.py:643]
{rank 0/100} MD step = 458000 step time: 00:00:00.020388 Performance: 311.337 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:17:01,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458000 45800 40.425 -39320 4430.6 -43751 -43751 -0.47086 0.95146 0.30343 2.2406e+05 2023-02-16 05:17:03,383 INFO [main.py:643]
{rank 0/100} MD step = 458100 step time: 00:00:00.020626 Performance: 311.321 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:04,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458100 45810 40.783 -39336 4469.9 -43806 -43806 -0.46971 0.95203 0.30367 2.2409e+05 2023-02-16 05:17:06,373 INFO [main.py:643]
{rank 0/100} MD step = 458200 step time: 00:00:00.020470 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:07,076 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458200 45820 39.198 -39571 4296.1 -43867 -43867 -0.47031 0.95194 0.30453 2.2415e+05 2023-02-16 05:17:09,240 INFO [main.py:643]
{rank 0/100} MD step = 458300 step time: 00:00:00.020571 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:09,885 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458300 45830 39.029 -39581 4277.7 -43859 -43859 -0.46973 0.95236 0.30454 2.2417e+05 2023-02-16 05:17:11,971 INFO [main.py:643]
{rank 0/100} MD step = 458400 step time: 00:00:00.020565 Performance: 311.314 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:12,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458400 45840 40.189 -39425 4404.8 -43830 -43830 -0.4691 0.95233 0.3045 2.2422e+05 2023-02-16 05:17:14,667 INFO [main.py:643]
{rank 0/100} MD step = 458500 step time: 00:00:00.020424 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:15,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458500 45850 39.271 -39525 4304.2 -43829 -43829 -0.46946 0.95175 0.30539 2.2426e+05 2023-02-16 05:17:17,446 INFO [main.py:643]
{rank 0/100} MD step = 458600 step time: 00:00:00.020723 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:18,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458600 45860 39.919 -39535 4375.2 -43911 -43911 -0.46979 0.95209 0.30642 2.2432e+05 2023-02-16 05:17:20,221 INFO [main.py:643]
{rank 0/100} MD step = 458700 step time: 00:00:00.020417 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:20,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458700 45870 40.262 -39518 4412.7 -43931 -43931 -0.47074 0.95286 0.30628 2.2438e+05 2023-02-16 05:17:23,125 INFO [main.py:643]
{rank 0/100} MD step = 458800 step time: 00:00:00.020582 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:23,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458800 45880 40.286 -39363 4415.4 -43778 -43778 -0.46977 0.95344 0.3063 2.2444e+05 2023-02-16 05:17:25,854 INFO [main.py:643]
{rank 0/100} MD step = 458900 step time: 00:00:00.021081 Performance: 311.314 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:26,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458900 45890 40.158 -39441 4401.3 -43842 -43842 -0.46995 0.9524 0.30655 2.2447e+05 2023-02-16 05:17:28,562 INFO [main.py:643]
{rank 0/100} MD step = 459000 step time: 00:00:00.020507 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:29,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459000 45900 39.819 -39434 4364.2 -43798 -43798 -0.46973 0.95122 0.30628 2.2453e+05 2023-02-16 05:17:31,206 INFO [main.py:643]
{rank 0/100} MD step = 459100 step time: 00:00:00.020607 Performance: 311.319 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:31,947 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459100 45910 40.24 -39397 4410.4 -43808 -43808 -0.46971 0.95181 0.30583 2.2457e+05 2023-02-16 05:17:33,986 INFO [main.py:643]
{rank 0/100} MD step = 459200 step time: 00:00:00.020356 Performance: 311.319 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:34,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459200 45920 39.362 -39478 4314.1 -43793 -43793 -0.47075 0.95234 0.30613 2.2462e+05 2023-02-16 05:17:36,849 INFO [main.py:643]
{rank 0/100} MD step = 459300 step time: 00:00:00.020335 Performance: 311.317 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:37,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459300 45930 39.96 -39448 4379.7 -43828 -43828 -0.47059 0.95198 0.30582 2.2467e+05 2023-02-16 05:17:39,566 INFO [main.py:643]
{rank 0/100} MD step = 459400 step time: 00:00:00.020511 Performance: 311.318 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:40,043 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459400 45940 39.602 -39537 4340.4 -43877 -43877 -0.46899 0.95247 0.30577 2.2473e+05 2023-02-16 05:17:42,287 INFO [main.py:643]
{rank 0/100} MD step = 459500 step time: 00:00:00.020527 Performance: 311.320 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:43,023 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459500 45950 40.259 -39382 4412.5 -43795 -43795 -0.469 0.95286 0.30524 2.2479e+05 2023-02-16 05:17:45,050 INFO [main.py:643]
{rank 0/100} MD step = 459600 step time: 00:00:00.020490 Performance: 311.320 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:45,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459600 45960 40.293 -39397 4416.1 -43814 -43814 -0.46881 0.95403 0.30501 2.2484e+05 2023-02-16 05:17:47,945 INFO [main.py:643]
{rank 0/100} MD step = 459700 step time: 00:00:00.020474 Performance: 311.317 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:48,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459700 45970 39.871 -39447 4369.9 -43817 -43817 -0.4691 0.95384 0.30581 2.2489e+05 2023-02-16 05:17:50,888 INFO [main.py:643]
{rank 0/100} MD step = 459800 step time: 00:00:00.020413 Performance: 311.313 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:51,416 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459800 45980 40.293 -39398 4416.2 -43814 -43814 -0.47018 0.95453 0.30548 2.2494e+05 2023-02-16 05:17:53,591 INFO [main.py:643]
{rank 0/100} MD step = 459900 step time: 00:00:00.020581 Performance: 311.315 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:54,055 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459900 45990 40.464 -39363 4434.9 -43798 -43798 -0.47025 0.95571 0.30499 2.2498e+05 2023-02-16 05:17:56,307 INFO [main.py:643]
{rank 0/100} MD step = 460000 step time: 00:00:00.020479 Performance: 311.316 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:56,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460000 46000 40.323 -39396 4419.5 -43816 -43816 -0.46867 0.95615 0.30412 2.2505e+05 2023-02-16 05:17:59,025 INFO [main.py:643]
{rank 0/100} MD step = 460100 step time: 00:00:00.020463 Performance: 311.317 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:17:59,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460100 46010 40.764 -39333 4467.8 -43801 -43801 -0.4685 0.95587 0.30373 2.2509e+05 2023-02-16 05:18:01,743 INFO [main.py:643]
{rank 0/100} MD step = 460200 step time: 00:00:00.020587 Performance: 311.319 ns/day 0.077 hours/ns 36.032 steps/s 2023-02-16 05:18:02,258 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460200 46020 39.246 -39509 4301.4 -43811 -43811 -0.46962 0.95709 0.30322 2.2516e+05 2023-02-16 05:18:04,389 INFO [main.py:643]
{rank 0/100} MD step = 460300 step time: 00:00:00.020508 Performance: 311.322 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:05,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460300 46030 40.027 -39556 4387 -43943 -43943 -0.46991 0.95719 0.30377 2.252e+05 2023-02-16 05:18:07,136 INFO [main.py:643]
{rank 0/100} MD step = 460400 step time: 00:00:00.020471 Performance: 311.323 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:07,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460400 46040 39.691 -39497 4350.2 -43847 -43847 -0.46955 0.9574 0.30436 2.2527e+05 2023-02-16 05:18:09,854 INFO [main.py:643]
{rank 0/100} MD step = 460500 step time: 00:00:00.020322 Performance: 311.324 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:10,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460500 46050 39.311 -39477 4308.5 -43785 -43785 -0.46896 0.95733 0.30432 2.2533e+05 2023-02-16 05:18:12,552 INFO [main.py:643]
{rank 0/100} MD step = 460600 step time: 00:00:00.020240 Performance: 311.326 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:13,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460600 46060 39.528 -39491 4332.3 -43823 -43823 -0.46959 0.95701 0.30525 2.2538e+05 2023-02-16 05:18:15,263 INFO [main.py:643]
{rank 0/100} MD step = 460700 step time: 00:00:00.020743 Performance: 311.328 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:15,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460700 46070 39.899 -39442 4373 -43815 -43815 -0.46945 0.95801 0.30534 2.2543e+05 2023-02-16 05:18:18,006 INFO [main.py:643]
{rank 0/100} MD step = 460800 step time: 00:00:00.020349 Performance: 311.328 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:18,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460800 46080 40.202 -39421 4406.2 -43827 -43827 -0.46989 0.9584 0.30556 2.2548e+05 2023-02-16 05:18:20,756 INFO [main.py:643]
{rank 0/100} MD step = 460900 step time: 00:00:00.020451 Performance: 311.329 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:21,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460900 46090 39.777 -39381 4359.7 -43741 -43741 -0.46955 0.95819 0.30567 2.2554e+05 2023-02-16 05:18:23,473 INFO [main.py:643]
{rank 0/100} MD step = 461000 step time: 00:00:00.020463 Performance: 311.330 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:18:24,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461000 46100 39.726 -39427 4354.1 -43781 -43781 -0.47115 0.95794 0.30463 2.2558e+05 2023-02-16 05:18:26,170 INFO [main.py:643]
{rank 0/100} MD step = 461100 step time: 00:00:00.020306 Performance: 311.332 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:18:26,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461100 46110 39.809 -39489 4363.1 -43852 -43852 -0.47031 0.95802 0.30471 2.2561e+05 2023-02-16 05:18:28,872 INFO [main.py:643]
{rank 0/100} MD step = 461200 step time: 00:00:00.020556 Performance: 311.334 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:18:29,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461200 46120 39.612 -39456 4341.5 -43798 -43798 -0.46969 0.95805 0.30382 2.2566e+05 2023-02-16 05:18:31,588 INFO [main.py:643]
{rank 0/100} MD step = 461300 step time: 00:00:00.020666 Performance: 311.335 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:18:32,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461300 46130 39.93 -39492 4376.4 -43868 -43868 -0.47047 0.95827 0.30373 2.2572e+05 2023-02-16 05:18:34,384 INFO [main.py:643]
{rank 0/100} MD step = 461400 step time: 00:00:00.020428 Performance: 311.335 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:18:34,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461400 46140 40.824 -39302 4474.4 -43776 -43776 -0.47026 0.95865 0.30463 2.2578e+05 2023-02-16 05:18:37,357 INFO [main.py:643]
{rank 0/100} MD step = 461500 step time: 00:00:00.020409 Performance: 311.330 ns/day 0.077 hours/ns 36.034 steps/s 2023-02-16 05:18:38,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461500 46150 39.221 -39619 4298.7 -43918 -43918 -0.46968 0.95888 0.30443 2.2582e+05 2023-02-16 05:18:40,309 INFO [main.py:643]
{rank 0/100} MD step = 461600 step time: 00:00:00.020557 Performance: 311.326 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:40,938 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461600 46160 40.012 -39433 4385.4 -43818 -43818 -0.47046 0.95816 0.30335 2.2586e+05 2023-02-16 05:18:43,017 INFO [main.py:643]
{rank 0/100} MD step = 461700 step time: 00:00:00.020433 Performance: 311.327 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:43,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461700 46170 39.805 -39417 4362.7 -43780 -43780 -0.46974 0.95734 0.30297 2.2593e+05 2023-02-16 05:18:45,854 INFO [main.py:643]
{rank 0/100} MD step = 461800 step time: 00:00:00.020492 Performance: 311.326 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:46,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461800 46180 39.574 -39443 4337.4 -43780 -43780 -0.47046 0.95873 0.30363 2.2598e+05 2023-02-16 05:18:48,600 INFO [main.py:643]
{rank 0/100} MD step = 461900 step time: 00:00:00.020708 Performance: 311.327 ns/day 0.077 hours/ns 36.033 steps/s 2023-02-16 05:18:51,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461900 46190 40.041 -39480 4388.5 -43869 -43869 -0.47222 0.95929 0.30417 2.2603e+05 2023-02-16 05:18:53,293 INFO [main.py:643]
{rank 0/100} MD step = 462000 step time: 00:00:00.021116 Performance: 311.280 ns/day 0.077 hours/ns 36.028 steps/s 2023-02-16 05:18:53,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462000 46200 39.749 -39484 4356.6 -43841 -43841 -0.47244 0.95999 0.30403 2.2607e+05 2023-02-16 05:18:56,203 INFO [main.py:643]
{rank 0/100} MD step = 462100 step time: 00:00:00.022093 Performance: 311.277 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:18:56,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462100 46210 39.593 -39562 4339.4 -43902 -43902 -0.47255 0.96011 0.30387 2.2612e+05 2023-02-16 05:18:59,057 INFO [main.py:643]
{rank 0/100} MD step = 462200 step time: 00:00:00.020407 Performance: 311.275 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:00,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462200 46220 39.861 -39507 4368.9 -43876 -43876 -0.4724 0.95964 0.30392 2.2618e+05 2023-02-16 05:19:02,065 INFO [main.py:643]
{rank 0/100} MD step = 462300 step time: 00:00:00.020499 Performance: 311.269 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:02,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462300 46230 40.18 -39487 4403.8 -43891 -43891 -0.47307 0.95978 0.30444 2.2624e+05 2023-02-16 05:19:04,820 INFO [main.py:643]
{rank 0/100} MD step = 462400 step time: 00:00:00.020459 Performance: 311.270 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:05,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462400 46240 40.084 -39463 4393.2 -43857 -43857 -0.47364 0.96051 0.30433 2.2629e+05 2023-02-16 05:19:07,617 INFO [main.py:643]
{rank 0/100} MD step = 462500 step time: 00:00:00.020387 Performance: 311.269 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:08,171 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462500 46250 40.484 -39425 4437.1 -43862 -43862 -0.47494 0.96158 0.305 2.2633e+05 2023-02-16 05:19:10,338 INFO [main.py:643]
{rank 0/100} MD step = 462600 step time: 00:00:00.020525 Performance: 311.271 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:10,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462600 46260 40.337 -39498 4421 -43919 -43919 -0.4741 0.96232 0.30511 2.2638e+05 2023-02-16 05:19:13,083 INFO [main.py:643]
{rank 0/100} MD step = 462700 step time: 00:00:00.020404 Performance: 311.271 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:13,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462700 46270 39.764 -39459 4358.1 -43817 -43817 -0.47306 0.9623 0.30501 2.2642e+05 2023-02-16 05:19:15,787 INFO [main.py:643]
{rank 0/100} MD step = 462800 step time: 00:00:00.020415 Performance: 311.273 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:16,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462800 46280 39.92 -39449 4375.3 -43824 -43824 -0.47321 0.96246 0.3038 2.2647e+05 2023-02-16 05:19:18,524 INFO [main.py:643]
{rank 0/100} MD step = 462900 step time: 00:00:00.020364 Performance: 311.274 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:19,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462900 46290 39.898 -39531 4372.8 -43903 -43903 -0.4745 0.96379 0.30293 2.2651e+05 2023-02-16 05:19:21,426 INFO [main.py:643]
{rank 0/100} MD step = 463000 step time: 00:00:00.027144 Performance: 311.271 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:22,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463000 46300 39.843 -39481 4366.8 -43848 -43848 -0.47589 0.96394 0.30331 2.2656e+05 2023-02-16 05:19:24,340 INFO [main.py:643]
{rank 0/100} MD step = 463100 step time: 00:00:00.020531 Performance: 311.268 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:19:24,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463100 46310 39.891 -39433 4372.1 -43805 -43805 -0.47592 0.96449 0.30443 2.2663e+05 2023-02-16 05:19:27,127 INFO [main.py:643]
{rank 0/100} MD step = 463200 step time: 00:00:00.020393 Performance: 311.267 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:19:27,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463200 46320 40.125 -39388 4397.7 -43786 -43786 -0.47606 0.96432 0.30446 2.2667e+05 2023-02-16 05:19:29,894 INFO [main.py:643]
{rank 0/100} MD step = 463300 step time: 00:00:00.020457 Performance: 311.268 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:19:30,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463300 46330 39.613 -39480 4341.6 -43822 -43822 -0.47675 0.96425 0.30509 2.2673e+05 2023-02-16 05:19:32,676 INFO [main.py:643]
{rank 0/100} MD step = 463400 step time: 00:00:00.020402 Performance: 311.267 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:19:33,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463400 46340 40.207 -39447 4406.7 -43853 -43853 -0.47591 0.96464 0.30615 2.2677e+05 2023-02-16 05:19:35,408 INFO [main.py:643]
{rank 0/100} MD step = 463500 step time: 00:00:00.020532 Performance: 311.268 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:19:36,111 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463500 46350 39.596 -39526 4339.8 -43866 -43866 -0.47513 0.96475 0.30683 2.2682e+05 2023-02-16 05:19:38,172 INFO [main.py:643]
{rank 0/100} MD step = 463600 step time: 00:00:00.021006 Performance: 311.269 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:19:38,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463600 46360 40.566 -39397 4446 -43843 -43843 -0.4749 0.96513 0.30661 2.2685e+05 2023-02-16 05:19:40,906 INFO [main.py:643]
{rank 0/100} MD step = 463700 step time: 00:00:00.020448 Performance: 311.270 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:41,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463700 46370 39.854 -39534 4368 -43902 -43902 -0.4766 0.96531 0.30589 2.269e+05 2023-02-16 05:19:43,660 INFO [main.py:643]
{rank 0/100} MD step = 463800 step time: 00:00:00.020428 Performance: 311.270 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:44,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463800 46380 39.689 -39515 4350 -43865 -43865 -0.47588 0.96535 0.306 2.2694e+05 2023-02-16 05:19:46,360 INFO [main.py:643]
{rank 0/100} MD step = 463900 step time: 00:00:00.020536 Performance: 311.272 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:46,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463900 46390 40.174 -39409 4403.1 -43812 -43812 -0.47518 0.96552 0.3066 2.2699e+05 2023-02-16 05:19:49,086 INFO [main.py:643]
{rank 0/100} MD step = 464000 step time: 00:00:00.020437 Performance: 311.273 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:49,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464000 46400 39.919 -39512 4375.2 -43887 -43887 -0.47463 0.96699 0.30756 2.2703e+05 2023-02-16 05:19:51,851 INFO [main.py:643]
{rank 0/100} MD step = 464100 step time: 00:00:00.020613 Performance: 311.274 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:19:52,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464100 46410 39.465 -39465 4325.4 -43790 -43790 -0.47458 0.96644 0.30823 2.2709e+05 2023-02-16 05:19:55,120 INFO [main.py:643]
{rank 0/100} MD step = 464200 step time: 00:00:00.023657 Performance: 311.262 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:19:55,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464200 46420 39.813 -39468 4363.5 -43832 -43832 -0.4747 0.96657 0.3084 2.2715e+05 2023-02-16 05:19:57,928 INFO [main.py:643]
{rank 0/100} MD step = 464300 step time: 00:00:00.020475 Performance: 311.261 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:19:58,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464300 46430 40.339 -39457 4421.3 -43878 -43878 -0.47559 0.96733 0.30872 2.2717e+05 2023-02-16 05:20:00,632 INFO [main.py:643]
{rank 0/100} MD step = 464400 step time: 00:00:00.020494 Performance: 311.263 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:01,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464400 46440 40.18 -39364 4403.7 -43768 -43768 -0.47499 0.96746 0.30917 2.2724e+05 2023-02-16 05:20:03,276 INFO [main.py:643]
{rank 0/100} MD step = 464500 step time: 00:00:00.020459 Performance: 311.266 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:03,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464500 46450 39.445 -39444 4323.2 -43767 -43767 -0.47455 0.96714 0.30905 2.2729e+05 2023-02-16 05:20:06,019 INFO [main.py:643]
{rank 0/100} MD step = 464600 step time: 00:00:00.020424 Performance: 311.267 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:06,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464600 46460 40.06 -39521 4390.7 -43911 -43911 -0.47483 0.96817 0.3088 2.2733e+05 2023-02-16 05:20:08,784 INFO [main.py:643]
{rank 0/100} MD step = 464700 step time: 00:00:00.020428 Performance: 311.267 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:09,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464700 46470 40.146 -39446 4400 -43846 -43846 -0.47553 0.96897 0.30818 2.2737e+05 2023-02-16 05:20:11,610 INFO [main.py:643]
{rank 0/100} MD step = 464800 step time: 00:00:00.020333 Performance: 311.266 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:12,005 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464800 46480 40.406 -39311 4428.5 -43740 -43740 -0.47533 0.97 0.30815 2.2743e+05 2023-02-16 05:20:14,342 INFO [main.py:643]
{rank 0/100} MD step = 464900 step time: 00:00:00.020578 Performance: 311.267 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:15,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464900 46490 39.484 -39523 4327.4 -43851 -43851 -0.47559 0.97046 0.30912 2.2748e+05 2023-02-16 05:20:17,120 INFO [main.py:643]
{rank 0/100} MD step = 465000 step time: 00:00:00.020385 Performance: 311.267 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:17,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465000 46500 40.104 -39448 4395.4 -43844 -43844 -0.47557 0.96925 0.31017 2.2754e+05 2023-02-16 05:20:19,848 INFO [main.py:643]
{rank 0/100} MD step = 465100 step time: 00:00:00.020409 Performance: 311.268 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:20,519 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465100 46510 40.425 -39398 4430.6 -43829 -43829 -0.47485 0.96887 0.31014 2.276e+05 2023-02-16 05:20:22,554 INFO [main.py:643]
{rank 0/100} MD step = 465200 step time: 00:00:00.020445 Performance: 311.269 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:20:23,229 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465200 46520 39.841 -39446 4366.6 -43813 -43813 -0.47477 0.96904 0.31063 2.2763e+05 2023-02-16 05:20:25,322 INFO [main.py:643]
{rank 0/100} MD step = 465300 step time: 00:00:00.020263 Performance: 311.270 ns/day 0.077 hours/ns 36.027 steps/s 2023-02-16 05:20:26,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465300 46530 40.582 -39395 4447.9 -43842 -43842 -0.47555 0.96909 0.31124 2.277e+05 2023-02-16 05:20:28,213 INFO [main.py:643]
{rank 0/100} MD step = 465400 step time: 00:00:00.029847 Performance: 311.267 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:28,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465400 46540 39.309 -39528 4308.3 -43837 -43837 -0.47604 0.96871 0.31214 2.2776e+05 2023-02-16 05:20:31,106 INFO [main.py:643]
{rank 0/100} MD step = 465500 step time: 00:00:00.020595 Performance: 311.264 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:31,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465500 46550 40.356 -39455 4423 -43878 -43878 -0.47568 0.96891 0.31293 2.2779e+05 2023-02-16 05:20:33,819 INFO [main.py:643]
{rank 0/100} MD step = 465600 step time: 00:00:00.020502 Performance: 311.266 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:34,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465600 46560 40.241 -39432 4410.5 -43842 -43842 -0.47455 0.96784 0.31245 2.2785e+05 2023-02-16 05:20:36,562 INFO [main.py:643]
{rank 0/100} MD step = 465700 step time: 00:00:00.020430 Performance: 311.266 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:37,155 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465700 46570 39.506 -39438 4329.9 -43768 -43768 -0.47374 0.96851 0.31215 2.2789e+05 2023-02-16 05:20:39,310 INFO [main.py:643]
{rank 0/100} MD step = 465800 step time: 00:00:00.020476 Performance: 311.267 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:20:40,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465800 46580 39.963 -39530 4380 -43910 -43910 -0.47364 0.96874 0.31225 2.2793e+05 2023-02-16 05:20:42,424 INFO [main.py:643]
{rank 0/100} MD step = 465900 step time: 00:00:00.020835 Performance: 311.259 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:20:43,010 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465900 46590 39.661 -39496 4346.8 -43843 -43843 -0.47395 0.96883 0.31261 2.2801e+05 2023-02-16 05:20:45,173 INFO [main.py:643]
{rank 0/100} MD step = 466000 step time: 00:00:00.020469 Performance: 311.260 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:20:46,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466000 46600 39.882 -39420 4371.2 -43792 -43792 -0.47506 0.96998 0.31207 2.2805e+05 2023-02-16 05:20:48,060 INFO [main.py:643]
{rank 0/100} MD step = 466100 step time: 00:00:00.020257 Performance: 311.257 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:20:48,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466100 46610 39.664 -39497 4347.3 -43844 -43844 -0.47708 0.97073 0.31165 2.2809e+05 2023-02-16 05:20:51,207 INFO [main.py:643]
{rank 0/100} MD step = 466200 step time: 00:00:00.020511 Performance: 311.248 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:20:51,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466200 46620 39.883 -39475 4371.2 -43846 -43846 -0.47858 0.97135 0.31185 2.2814e+05 2023-02-16 05:20:53,960 INFO [main.py:643]
{rank 0/100} MD step = 466300 step time: 00:00:00.020413 Performance: 311.248 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:20:54,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466300 46630 39.98 -39474 4381.8 -43856 -43856 -0.4782 0.97155 0.31165 2.2818e+05 2023-02-16 05:20:56,693 INFO [main.py:643]
{rank 0/100} MD step = 466400 step time: 00:00:00.020694 Performance: 311.250 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:20:57,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466400 46640 40.141 -39449 4399.5 -43848 -43848 -0.47681 0.97073 0.3119 2.2824e+05 2023-02-16 05:20:59,427 INFO [main.py:643]
{rank 0/100} MD step = 466500 step time: 00:00:00.020327 Performance: 311.251 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:20:59,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466500 46650 39.465 -39486 4325.4 -43812 -43812 -0.47716 0.97061 0.31103 2.2829e+05 2023-02-16 05:21:02,247 INFO [main.py:643]
{rank 0/100} MD step = 466600 step time: 00:00:00.020463 Performance: 311.249 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:02,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466600 46660 39.908 -39490 4373.9 -43864 -43864 -0.47504 0.97075 0.3114 2.2835e+05 2023-02-16 05:21:04,978 INFO [main.py:643]
{rank 0/100} MD step = 466700 step time: 00:00:00.020446 Performance: 311.251 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:05,484 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466700 46670 40.058 -39494 4390.4 -43884 -43884 -0.47401 0.97042 0.31128 2.284e+05 2023-02-16 05:21:07,907 INFO [main.py:643]
{rank 0/100} MD step = 466800 step time: 00:00:00.020464 Performance: 311.247 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:08,581 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466800 46680 39.687 -39537 4349.7 -43887 -43887 -0.47231 0.97014 0.31089 2.2844e+05 2023-02-16 05:21:10,625 INFO [main.py:643]
{rank 0/100} MD step = 466900 step time: 00:00:00.020383 Performance: 311.248 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:11,287 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466900 46690 39.857 -39523 4368.3 -43891 -43891 -0.47345 0.96992 0.31137 2.2849e+05 2023-02-16 05:21:13,314 INFO [main.py:643]
{rank 0/100} MD step = 467000 step time: 00:00:00.020465 Performance: 311.250 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:14,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467000 46700 40.043 -39405 4388.7 -43794 -43794 -0.47348 0.97057 0.31141 2.2854e+05 2023-02-16 05:21:16,051 INFO [main.py:643]
{rank 0/100} MD step = 467100 step time: 00:00:00.020366 Performance: 311.251 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:16,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467100 46710 40.133 -39340 4398.6 -43739 -43739 -0.4745 0.97072 0.31099 2.286e+05 2023-02-16 05:21:18,865 INFO [main.py:643]
{rank 0/100} MD step = 467200 step time: 00:00:00.020594 Performance: 311.250 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:19,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467200 46720 39.332 -39487 4310.9 -43798 -43798 -0.47313 0.97023 0.3111 2.2864e+05 2023-02-16 05:21:21,650 INFO [main.py:643]
{rank 0/100} MD step = 467300 step time: 00:00:00.020548 Performance: 311.250 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:22,037 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467300 46730 40.236 -39409 4409.9 -43819 -43819 -0.47298 0.97088 0.31116 2.2867e+05 2023-02-16 05:21:24,392 INFO [main.py:643]
{rank 0/100} MD step = 467400 step time: 00:00:00.020570 Performance: 311.251 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:25,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467400 46740 39.864 -39517 4369.2 -43886 -43886 -0.47371 0.97065 0.3116 2.2871e+05 2023-02-16 05:21:27,216 INFO [main.py:643]
{rank 0/100} MD step = 467500 step time: 00:00:00.020483 Performance: 311.250 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:27,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467500 46750 39.384 -39551 4316.5 -43868 -43868 -0.47441 0.97026 0.31181 2.2875e+05 2023-02-16 05:21:29,901 INFO [main.py:643]
{rank 0/100} MD step = 467600 step time: 00:00:00.020431 Performance: 311.252 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:21:30,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467600 46760 39.6 -39553 4340.2 -43893 -43893 -0.47519 0.97185 0.3119 2.2881e+05 2023-02-16 05:21:32,711 INFO [main.py:643]
{rank 0/100} MD step = 467700 step time: 00:00:00.020530 Performance: 311.251 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:21:33,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467700 46770 40.065 -39485 4391.2 -43877 -43877 -0.47469 0.97175 0.3119 2.2887e+05 2023-02-16 05:21:35,405 INFO [main.py:643]
{rank 0/100} MD step = 467800 step time: 00:00:00.020549 Performance: 311.253 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:21:35,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467800 46780 39.958 -39393 4379.5 -43773 -43773 -0.47513 0.97253 0.31242 2.2892e+05 2023-02-16 05:21:38,180 INFO [main.py:643]
{rank 0/100} MD step = 467900 step time: 00:00:00.021668 Performance: 311.253 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:21:38,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467900 46790 39.906 -39432 4373.7 -43806 -43806 -0.47518 0.97214 0.31121 2.2898e+05 2023-02-16 05:21:40,903 INFO [main.py:643]
{rank 0/100} MD step = 468000 step time: 00:00:00.021144 Performance: 311.254 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:21:41,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468000 46800 40.102 -39462 4395.2 -43857 -43857 -0.47751 0.97225 0.3105 2.2902e+05 2023-02-16 05:21:43,690 INFO [main.py:643]
{rank 0/100} MD step = 468100 step time: 00:00:00.020464 Performance: 311.254 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:21:44,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468100 46810 40.258 -39372 4412.3 -43785 -43785 -0.48013 0.97251 0.31091 2.2909e+05 2023-02-16 05:21:46,367 INFO [main.py:643]
{rank 0/100} MD step = 468200 step time: 00:00:00.020495 Performance: 311.257 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:21:47,005 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468200 46820 40.098 -39471 4394.8 -43866 -43866 -0.47892 0.9732 0.31027 2.2912e+05 2023-02-16 05:21:49,063 INFO [main.py:643]
{rank 0/100} MD step = 468300 step time: 00:00:00.020331 Performance: 311.258 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:21:49,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468300 46830 40.03 -39399 4387.3 -43786 -43786 -0.4783 0.97289 0.31082 2.2917e+05 2023-02-16 05:21:51,740 INFO [main.py:643]
{rank 0/100} MD step = 468400 step time: 00:00:00.020281 Performance: 311.261 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:21:52,164 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468400 46840 39.639 -39510 4344.5 -43854 -43854 -0.47822 0.97317 0.31028 2.2922e+05 2023-02-16 05:21:54,495 INFO [main.py:643]
{rank 0/100} MD step = 468500 step time: 00:00:00.020573 Performance: 311.261 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:21:55,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468500 46850 39.673 -39470 4348.2 -43818 -43818 -0.48046 0.97347 0.31047 2.2927e+05 2023-02-16 05:21:57,487 INFO [main.py:643]
{rank 0/100} MD step = 468600 step time: 00:00:00.020386 Performance: 311.256 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:21:58,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468600 46860 39.897 -39489 4372.7 -43862 -43862 -0.48087 0.97407 0.30988 2.2932e+05 2023-02-16 05:22:00,203 INFO [main.py:643]
{rank 0/100} MD step = 468700 step time: 00:00:00.020645 Performance: 311.258 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:00,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468700 46870 40.059 -39356 4390.5 -43747 -43747 -0.48204 0.97352 0.30906 2.2936e+05 2023-02-16 05:22:02,899 INFO [main.py:643]
{rank 0/100} MD step = 468800 step time: 00:00:00.020369 Performance: 311.259 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:03,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468800 46880 40.317 -39419 4418.8 -43838 -43838 -0.48197 0.9726 0.30867 2.2938e+05 2023-02-16 05:22:05,639 INFO [main.py:643]
{rank 0/100} MD step = 468900 step time: 00:00:00.020518 Performance: 311.260 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:22:06,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468900 46890 40.443 -39410 4432.7 -43843 -43843 -0.48033 0.97356 0.30879 2.2943e+05 2023-02-16 05:22:08,421 INFO [main.py:643]
{rank 0/100} MD step = 469000 step time: 00:00:00.020450 Performance: 311.260 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:09,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469000 46900 39.631 -39466 4343.6 -43810 -43810 -0.48038 0.97453 0.30909 2.2949e+05 2023-02-16 05:22:11,238 INFO [main.py:643]
{rank 0/100} MD step = 469100 step time: 00:00:00.020492 Performance: 311.259 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:11,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469100 46910 39.728 -39539 4354.2 -43894 -43894 -0.4801 0.97518 0.30842 2.2952e+05 2023-02-16 05:22:14,027 INFO [main.py:643]
{rank 0/100} MD step = 469200 step time: 00:00:00.020346 Performance: 311.259 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:14,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469200 46920 39.793 -39468 4361.4 -43829 -43829 -0.48157 0.97551 0.3081 2.2958e+05 2023-02-16 05:22:17,000 INFO [main.py:643]
{rank 0/100} MD step = 469300 step time: 00:00:00.020430 Performance: 311.254 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:17,682 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469300 46930 39.491 -39607 4328.3 -43935 -43935 -0.48324 0.97568 0.30796 2.2961e+05 2023-02-16 05:22:19,767 INFO [main.py:643]
{rank 0/100} MD step = 469400 step time: 00:00:00.020436 Performance: 311.254 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:20,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469400 46940 40.068 -39493 4391.5 -43885 -43885 -0.48506 0.97511 0.30855 2.2967e+05 2023-02-16 05:22:22,474 INFO [main.py:643]
{rank 0/100} MD step = 469500 step time: 00:00:00.020380 Performance: 311.256 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:23,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469500 46950 40.16 -39393 4401.6 -43794 -43794 -0.48502 0.97457 0.30841 2.2973e+05 2023-02-16 05:22:25,218 INFO [main.py:643]
{rank 0/100} MD step = 469600 step time: 00:00:00.020564 Performance: 311.257 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:25,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469600 46960 40.49 -39431 4437.8 -43869 -43869 -0.48652 0.97517 0.30985 2.2978e+05 2023-02-16 05:22:27,942 INFO [main.py:643]
{rank 0/100} MD step = 469700 step time: 00:00:00.020448 Performance: 311.258 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:28,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469700 46970 40.305 -39406 4417.5 -43823 -43823 -0.48595 0.97495 0.31025 2.2983e+05 2023-02-16 05:22:30,662 INFO [main.py:643]
{rank 0/100} MD step = 469800 step time: 00:00:00.020526 Performance: 311.259 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:31,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469800 46980 39.943 -39376 4377.8 -43754 -43754 -0.48584 0.97509 0.31075 2.2989e+05 2023-02-16 05:22:33,402 INFO [main.py:643]
{rank 0/100} MD step = 469900 step time: 00:00:00.020451 Performance: 311.260 ns/day 0.077 hours/ns 36.025 steps/s 2023-02-16 05:22:33,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469900 46990 40.172 -39483 4402.9 -43886 -43886 -0.48551 0.97505 0.31068 2.2993e+05 2023-02-16 05:22:36,105 INFO [main.py:643]
{rank 0/100} MD step = 470000 step time: 00:00:00.020325 Performance: 311.262 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:22:36,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470000 47000 40.521 -39432 4441.2 -43873 -43873 -0.48586 0.97584 0.31049 2.2996e+05 2023-02-16 05:22:38,841 INFO [main.py:643]
{rank 0/100} MD step = 470100 step time: 00:00:00.020461 Performance: 311.263 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:22:39,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 47010 39.26 -39588 4303 -43891 -43891 -0.485 0.9756 0.31033 2.3002e+05 2023-02-16 05:22:41,639 INFO [main.py:643]
{rank 0/100} MD step = 470200 step time: 00:00:00.020394 Performance: 311.262 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:22:42,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470200 47020 39.427 -39564 4321.3 -43885 -43885 -0.48555 0.97509 0.31053 2.3006e+05 2023-02-16 05:22:44,451 INFO [main.py:643]
{rank 0/100} MD step = 470300 step time: 00:00:00.020353 Performance: 311.262 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:22:45,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470300 47030 39.813 -39420 4363.5 -43783 -43783 -0.48666 0.97507 0.31078 2.3011e+05 2023-02-16 05:22:47,253 INFO [main.py:643]
{rank 0/100} MD step = 470400 step time: 00:00:00.020261 Performance: 311.261 ns/day 0.077 hours/ns 36.026 steps/s 2023-02-16 05:22:47,955 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470400 47040 40.045 -39427 4388.9 -43816 -43816 -0.4858 0.97535 0.31091 2.3016e+05 2023-02-16 05:22:50,584 INFO [main.py:643]
{rank 0/100} MD step = 470500 step time: 00:00:00.020513 Performance: 311.248 ns/day 0.077 hours/ns 36.024 steps/s 2023-02-16 05:22:51,952 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470500 47050 39.799 -39478 4362 -43840 -43840 -0.48608 0.97546 0.31183 2.3022e+05 2023-02-16 05:22:54,038 INFO [main.py:643]
{rank 0/100} MD step = 470600 step time: 00:00:00.020401 Performance: 311.231 ns/day 0.077 hours/ns 36.022 steps/s 2023-02-16 05:22:55,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470600 47060 40.597 -39385 4449.5 -43834 -43834 -0.48537 0.97562 0.31167 2.3028e+05 2023-02-16 05:22:57,382 INFO [main.py:643]
{rank 0/100} MD step = 470700 step time: 00:00:00.020924 Performance: 311.218 ns/day 0.077 hours/ns 36.021 steps/s 2023-02-16 05:22:58,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470700 47070 40.423 -39424 4430.4 -43855 -43855 -0.48386 0.97533 0.31124 2.3031e+05 2023-02-16 05:23:00,261 INFO [main.py:643]
{rank 0/100} MD step = 470800 step time: 00:00:00.020354 Performance: 311.216 ns/day 0.077 hours/ns 36.020 steps/s 2023-02-16 05:23:01,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470800 47080 39.67 -39404 4347.9 -43752 -43752 -0.48239 0.97576 0.31064 2.3036e+05 2023-02-16 05:23:03,228 INFO [main.py:643]
{rank 0/100} MD step = 470900 step time: 00:00:00.020309 Performance: 311.211 ns/day 0.077 hours/ns 36.020 steps/s 2023-02-16 05:23:03,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470900 47090 39.626 -39507 4343.1 -43850 -43850 -0.48285 0.97618 0.31115 2.3041e+05 2023-02-16 05:23:05,975 INFO [main.py:643]
{rank 0/100} MD step = 471000 step time: 00:00:00.020442 Performance: 311.212 ns/day 0.077 hours/ns 36.020 steps/s 2023-02-16 05:23:06,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471000 47100 40.3 -39401 4416.9 -43818 -43818 -0.48343 0.97661 0.31065 2.3047e+05 2023-02-16 05:23:08,873 INFO [main.py:643]
{rank 0/100} MD step = 471100 step time: 00:00:00.020366 Performance: 311.209 ns/day 0.077 hours/ns 36.020 steps/s 2023-02-16 05:23:09,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471100 47110 40.034 -39441 4387.8 -43829 -43829 -0.48201 0.9771 0.31057 2.3052e+05 2023-02-16 05:23:11,689 INFO [main.py:643]
{rank 0/100} MD step = 471200 step time: 00:00:00.020479 Performance: 311.208 ns/day 0.077 hours/ns 36.019 steps/s 2023-02-16 05:23:12,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471200 47120 40.228 -39453 4409 -43862 -43862 -0.48107 0.97792 0.31091 2.3056e+05 2023-02-16 05:23:14,547 INFO [main.py:643]
{rank 0/100} MD step = 471300 step time: 00:00:00.020472 Performance: 311.206 ns/day 0.077 hours/ns 36.019 steps/s 2023-02-16 05:23:15,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471300 47130 39.404 -39569 4318.8 -43888 -43888 -0.4815 0.97866 0.30939 2.3061e+05 2023-02-16 05:23:17,570 INFO [main.py:643]
{rank 0/100} MD step = 471400 step time: 00:00:00.020355 Performance: 311.200 ns/day 0.077 hours/ns 36.019 steps/s 2023-02-16 05:23:18,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471400 47140 39.885 -39396 4371.4 -43768 -43768 -0.48281 0.97846 0.30989 2.3068e+05 2023-02-16 05:23:20,415 INFO [main.py:643]
{rank 0/100} MD step = 471500 step time: 00:00:00.020633 Performance: 311.198 ns/day 0.077 hours/ns 36.018 steps/s 2023-02-16 05:23:21,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471500 47150 40.092 -39394 4394.2 -43788 -43788 -0.48242 0.97859 0.30947 2.3071e+05 2023-02-16 05:23:23,290 INFO [main.py:643]
{rank 0/100} MD step = 471600 step time: 00:00:00.020525 Performance: 311.196 ns/day 0.077 hours/ns 36.018 steps/s 2023-02-16 05:23:24,095 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471600 47160 40.375 -39465 4425.1 -43890 -43890 -0.48186 0.97897 0.30989 2.3075e+05 2023-02-16 05:23:26,210 INFO [main.py:643]
{rank 0/100} MD step = 471700 step time: 00:00:00.020412 Performance: 311.193 ns/day 0.077 hours/ns 36.018 steps/s 2023-02-16 05:23:27,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471700 47170 39.655 -39468 4346.3 -43814 -43814 -0.47953 0.97923 0.31079 2.3079e+05 2023-02-16 05:23:29,337 INFO [main.py:643]
{rank 0/100} MD step = 471800 step time: 00:00:00.020577 Performance: 311.184 ns/day 0.077 hours/ns 36.017 steps/s 2023-02-16 05:23:30,332 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471800 47180 40.661 -39491 4456.5 -43947 -43947 -0.48127 0.97986 0.31068 2.3086e+05 2023-02-16 05:23:32,379 INFO [main.py:643]
{rank 0/100} MD step = 471900 step time: 00:00:00.020466 Performance: 311.178 ns/day 0.077 hours/ns 36.016 steps/s 2023-02-16 05:23:33,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471900 47190 40.36 -39397 4423.5 -43821 -43821 -0.48094 0.98028 0.311 2.3091e+05 2023-02-16 05:23:35,578 INFO [main.py:643]
{rank 0/100} MD step = 472000 step time: 00:00:00.020370 Performance: 311.168 ns/day 0.077 hours/ns 36.015 steps/s 2023-02-16 05:23:36,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472000 47200 39.196 -39569 4296 -43865 -43865 -0.48065 0.98032 0.3108 2.3096e+05 2023-02-16 05:23:39,114 INFO [main.py:643]
{rank 0/100} MD step = 472100 step time: 00:00:00.020567 Performance: 311.150 ns/day 0.077 hours/ns 36.013 steps/s 2023-02-16 05:23:39,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472100 47210 39.878 -39398 4370.7 -43768 -43768 -0.48036 0.98106 0.31175 2.3101e+05 2023-02-16 05:23:41,902 INFO [main.py:643]
{rank 0/100} MD step = 472200 step time: 00:00:00.020366 Performance: 311.150 ns/day 0.077 hours/ns 36.013 steps/s 2023-02-16 05:23:42,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472200 47220 40.112 -39488 4396.3 -43885 -43885 -0.4818 0.98144 0.31183 2.3107e+05 2023-02-16 05:23:44,846 INFO [main.py:643]
{rank 0/100} MD step = 472300 step time: 00:00:00.020413 Performance: 311.146 ns/day 0.077 hours/ns 36.012 steps/s 2023-02-16 05:23:45,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472300 47230 40.223 -39387 4408.5 -43795 -43795 -0.48251 0.98155 0.312 2.311e+05 2023-02-16 05:23:47,707 INFO [main.py:643]
{rank 0/100} MD step = 472400 step time: 00:00:00.020353 Performance: 311.144 ns/day 0.077 hours/ns 36.012 steps/s 2023-02-16 05:23:48,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472400 47240 39.857 -39400 4368.4 -43768 -43768 -0.48416 0.98078 0.31154 2.3114e+05 2023-02-16 05:23:51,314 INFO [main.py:643]
{rank 0/100} MD step = 472500 step time: 00:00:00.020418 Performance: 311.124 ns/day 0.077 hours/ns 36.010 steps/s 2023-02-16 05:23:52,131 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472500 47250 40.333 -39491 4420.6 -43912 -43912 -0.48553 0.98087 0.31144 2.312e+05 2023-02-16 05:23:54,159 INFO [main.py:643]
{rank 0/100} MD step = 472600 step time: 00:00:00.020344 Performance: 311.122 ns/day 0.077 hours/ns 36.010 steps/s 2023-02-16 05:23:55,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472600 47260 40.193 -39396 4405.2 -43801 -43801 -0.48666 0.9808 0.31194 2.3124e+05 2023-02-16 05:23:57,714 INFO [main.py:643]
{rank 0/100} MD step = 472700 step time: 00:00:00.020421 Performance: 311.104 ns/day 0.077 hours/ns 36.007 steps/s 2023-02-16 05:23:58,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472700 47270 40.503 -39432 4439.2 -43871 -43871 -0.48702 0.98046 0.31255 2.3129e+05 2023-02-16 05:24:00,520 INFO [main.py:643]
{rank 0/100} MD step = 472800 step time: 00:00:00.020402 Performance: 311.103 ns/day 0.077 hours/ns 36.007 steps/s 2023-02-16 05:24:02,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472800 47280 39.651 -39550 4345.8 -43896 -43896 -0.48799 0.98051 0.31196 2.3135e+05 2023-02-16 05:24:04,158 INFO [main.py:643]
{rank 0/100} MD step = 472900 step time: 00:00:00.020576 Performance: 311.083 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:04,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472900 47290 40.261 -39459 4412.7 -43872 -43872 -0.48759 0.98093 0.31282 2.314e+05 2023-02-16 05:24:06,951 INFO [main.py:643]
{rank 0/100} MD step = 473000 step time: 00:00:00.020495 Performance: 311.083 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:08,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473000 47300 39.591 -39521 4339.2 -43860 -43860 -0.4884 0.98226 0.31297 2.3147e+05 2023-02-16 05:24:10,365 INFO [main.py:643]
{rank 0/100} MD step = 473100 step time: 00:00:00.020412 Performance: 311.067 ns/day 0.077 hours/ns 36.003 steps/s 2023-02-16 05:24:10,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473100 47310 40.197 -39429 4405.6 -43835 -43835 -0.48932 0.98237 0.31236 2.3154e+05 2023-02-16 05:24:13,060 INFO [main.py:643]
{rank 0/100} MD step = 473200 step time: 00:00:00.020335 Performance: 311.069 ns/day 0.077 hours/ns 36.003 steps/s 2023-02-16 05:24:13,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473200 47320 40.107 -39439 4395.7 -43835 -43835 -0.48976 0.9825 0.31227 2.3158e+05 2023-02-16 05:24:15,843 INFO [main.py:643]
{rank 0/100} MD step = 473300 step time: 00:00:00.020539 Performance: 311.069 ns/day 0.077 hours/ns 36.003 steps/s 2023-02-16 05:24:16,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473300 47330 40.452 -39324 4433.6 -43758 -43758 -0.48882 0.98257 0.31227 2.3163e+05 2023-02-16 05:24:18,564 INFO [main.py:643]
{rank 0/100} MD step = 473400 step time: 00:00:00.020487 Performance: 311.071 ns/day 0.077 hours/ns 36.004 steps/s 2023-02-16 05:24:19,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473400 47340 39.459 -39494 4324.7 -43819 -43819 -0.48838 0.98277 0.31161 2.3167e+05 2023-02-16 05:24:21,211 INFO [main.py:643]
{rank 0/100} MD step = 473500 step time: 00:00:00.020506 Performance: 311.074 ns/day 0.077 hours/ns 36.004 steps/s 2023-02-16 05:24:21,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473500 47350 39.867 -39431 4369.4 -43801 -43801 -0.4878 0.98399 0.31186 2.3171e+05 2023-02-16 05:24:23,964 INFO [main.py:643]
{rank 0/100} MD step = 473600 step time: 00:00:00.020435 Performance: 311.074 ns/day 0.077 hours/ns 36.004 steps/s 2023-02-16 05:24:24,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473600 47360 39.645 -39453 4345.1 -43798 -43798 -0.48937 0.98454 0.31291 2.3175e+05 2023-02-16 05:24:26,645 INFO [main.py:643]
{rank 0/100} MD step = 473700 step time: 00:00:00.020284 Performance: 311.077 ns/day 0.077 hours/ns 36.004 steps/s 2023-02-16 05:24:27,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473700 47370 40.268 -39412 4413.4 -43826 -43826 -0.49022 0.98527 0.31427 2.3182e+05 2023-02-16 05:24:29,349 INFO [main.py:643]
{rank 0/100} MD step = 473800 step time: 00:00:00.020414 Performance: 311.078 ns/day 0.077 hours/ns 36.004 steps/s 2023-02-16 05:24:30,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473800 47380 39.75 -39424 4356.6 -43781 -43781 -0.49052 0.98607 0.31449 2.3186e+05 2023-02-16 05:24:32,096 INFO [main.py:643]
{rank 0/100} MD step = 473900 step time: 00:00:00.020446 Performance: 311.079 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:32,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473900 47390 40.244 -39429 4410.8 -43840 -43840 -0.49103 0.98707 0.31434 2.3191e+05 2023-02-16 05:24:34,836 INFO [main.py:643]
{rank 0/100} MD step = 474000 step time: 00:00:00.020501 Performance: 311.080 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:35,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474000 47400 39.683 -39523 4349.3 -43873 -43873 -0.49189 0.98647 0.31425 2.3198e+05 2023-02-16 05:24:37,662 INFO [main.py:643]
{rank 0/100} MD step = 474100 step time: 00:00:00.020284 Performance: 311.079 ns/day 0.077 hours/ns 36.004 steps/s 2023-02-16 05:24:38,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474100 47410 39.834 -39461 4365.9 -43827 -43827 -0.49172 0.98648 0.31337 2.3202e+05 2023-02-16 05:24:40,361 INFO [main.py:643]
{rank 0/100} MD step = 474200 step time: 00:00:00.020400 Performance: 311.081 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:41,098 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474200 47420 40.106 -39360 4395.6 -43755 -43755 -0.49022 0.9864 0.31324 2.3207e+05 2023-02-16 05:24:43,167 INFO [main.py:643]
{rank 0/100} MD step = 474300 step time: 00:00:00.020425 Performance: 311.080 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:43,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474300 47430 39.836 -39481 4366.1 -43847 -43847 -0.4902 0.98607 0.31339 2.3211e+05 2023-02-16 05:24:45,874 INFO [main.py:643]
{rank 0/100} MD step = 474400 step time: 00:00:00.020639 Performance: 311.082 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:46,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474400 47440 40.011 -39434 4385.3 -43819 -43819 -0.48874 0.98594 0.31385 2.3217e+05 2023-02-16 05:24:48,714 INFO [main.py:643]
{rank 0/100} MD step = 474500 step time: 00:00:00.020468 Performance: 311.080 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:49,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474500 47450 38.79 -39577 4251.4 -43829 -43829 -0.4898 0.98506 0.31461 2.3222e+05 2023-02-16 05:24:51,426 INFO [main.py:643]
{rank 0/100} MD step = 474600 step time: 00:00:00.020484 Performance: 311.082 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:52,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474600 47460 39.676 -39444 4348.5 -43792 -43792 -0.48958 0.98523 0.31465 2.3228e+05 2023-02-16 05:24:54,227 INFO [main.py:643]
{rank 0/100} MD step = 474700 step time: 00:00:00.020460 Performance: 311.081 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:54,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474700 47470 39.573 -39567 4337.3 -43904 -43904 -0.49102 0.98596 0.31562 2.3232e+05 2023-02-16 05:24:56,978 INFO [main.py:643]
{rank 0/100} MD step = 474800 step time: 00:00:00.020528 Performance: 311.082 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:24:57,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474800 47480 40.345 -39374 4421.8 -43796 -43796 -0.49088 0.98604 0.31567 2.3238e+05 2023-02-16 05:24:59,756 INFO [main.py:643]
{rank 0/100} MD step = 474900 step time: 00:00:00.020446 Performance: 311.082 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:00,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474900 47490 39.969 -39469 4380.7 -43850 -43850 -0.491 0.98577 0.31522 2.3242e+05 2023-02-16 05:25:02,471 INFO [main.py:643]
{rank 0/100} MD step = 475000 step time: 00:00:00.020570 Performance: 311.083 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:03,023 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475000 47500 39.216 -39422 4298.1 -43720 -43720 -0.49285 0.98615 0.31545 2.3248e+05 2023-02-16 05:25:05,147 INFO [main.py:643]
{rank 0/100} MD step = 475100 step time: 00:00:00.020633 Performance: 311.086 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:05,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475100 47510 40.442 -39373 4432.5 -43806 -43806 -0.49441 0.98567 0.31533 2.3251e+05 2023-02-16 05:25:07,822 INFO [main.py:643]
{rank 0/100} MD step = 475200 step time: 00:00:00.020487 Performance: 311.088 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:08,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475200 47520 39.897 -39435 4372.8 -43808 -43808 -0.49376 0.98571 0.31534 2.3258e+05 2023-02-16 05:25:10,571 INFO [main.py:643]
{rank 0/100} MD step = 475300 step time: 00:00:00.020495 Performance: 311.089 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:11,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475300 47530 40.217 -39374 4407.9 -43782 -43782 -0.49269 0.98635 0.31536 2.3264e+05 2023-02-16 05:25:13,415 INFO [main.py:643]
{rank 0/100} MD step = 475400 step time: 00:00:00.020421 Performance: 311.087 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:14,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475400 47540 40 -39467 4384 -43851 -43851 -0.49256 0.98714 0.31497 2.327e+05 2023-02-16 05:25:16,275 INFO [main.py:643]
{rank 0/100} MD step = 475500 step time: 00:00:00.020531 Performance: 311.085 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:16,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475500 47550 40.359 -39468 4423.4 -43891 -43891 -0.49276 0.98666 0.31633 2.3273e+05 2023-02-16 05:25:19,070 INFO [main.py:643]
{rank 0/100} MD step = 475600 step time: 00:00:00.020879 Performance: 311.085 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:19,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475600 47560 39.773 -39401 4359.2 -43761 -43761 -0.49232 0.98657 0.31691 2.3278e+05 2023-02-16 05:25:21,803 INFO [main.py:643]
{rank 0/100} MD step = 475700 step time: 00:00:00.020416 Performance: 311.086 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:22,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475700 47570 39.715 -39526 4352.9 -43879 -43879 -0.49315 0.98716 0.31695 2.3281e+05 2023-02-16 05:25:24,505 INFO [main.py:643]
{rank 0/100} MD step = 475800 step time: 00:00:00.020474 Performance: 311.088 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:25,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475800 47580 40.39 -39339 4426.8 -43766 -43766 -0.49365 0.98726 0.31728 2.3286e+05 2023-02-16 05:25:27,227 INFO [main.py:643]
{rank 0/100} MD step = 475900 step time: 00:00:00.020476 Performance: 311.089 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:27,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475900 47590 41.36 -39287 4533.1 -43821 -43821 -0.49283 0.98827 0.31731 2.3291e+05 2023-02-16 05:25:29,889 INFO [main.py:643]
{rank 0/100} MD step = 476000 step time: 00:00:00.020415 Performance: 311.092 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:30,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476000 47600 40.557 -39334 4445.1 -43779 -43779 -0.49258 0.98828 0.31762 2.3298e+05 2023-02-16 05:25:32,729 INFO [main.py:643]
{rank 0/100} MD step = 476100 step time: 00:00:00.020429 Performance: 311.090 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:33,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476100 47610 39.453 -39567 4324.1 -43891 -43891 -0.49224 0.98845 0.31674 2.3302e+05 2023-02-16 05:25:35,421 INFO [main.py:643]
{rank 0/100} MD step = 476200 step time: 00:00:00.020649 Performance: 311.092 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:36,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476200 47620 39.896 -39411 4372.7 -43784 -43784 -0.49276 0.9888 0.31808 2.3306e+05 2023-02-16 05:25:38,159 INFO [main.py:643]
{rank 0/100} MD step = 476300 step time: 00:00:00.020355 Performance: 311.093 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:38,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476300 47630 40.543 -39348 4443.6 -43791 -43791 -0.49336 0.98905 0.31735 2.3312e+05 2023-02-16 05:25:40,879 INFO [main.py:643]
{rank 0/100} MD step = 476400 step time: 00:00:00.020546 Performance: 311.094 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:41,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476400 47640 40.025 -39495 4386.8 -43881 -43881 -0.49059 0.98977 0.31806 2.3317e+05 2023-02-16 05:25:43,787 INFO [main.py:643]
{rank 0/100} MD step = 476500 step time: 00:00:00.020375 Performance: 311.091 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:25:44,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476500 47650 39.524 -39546 4331.8 -43878 -43878 -0.49138 0.98981 0.31834 2.3322e+05 2023-02-16 05:25:46,880 INFO [main.py:643]
{rank 0/100} MD step = 476600 step time: 00:00:00.020469 Performance: 311.084 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:47,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476600 47660 40.109 -39441 4396 -43837 -43837 -0.49159 0.99038 0.31848 2.3328e+05 2023-02-16 05:25:49,673 INFO [main.py:643]
{rank 0/100} MD step = 476700 step time: 00:00:00.020388 Performance: 311.084 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:50,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476700 47670 40.022 -39495 4386.5 -43881 -43881 -0.49445 0.99028 0.31927 2.3334e+05 2023-02-16 05:25:52,416 INFO [main.py:643]
{rank 0/100} MD step = 476800 step time: 00:00:00.020555 Performance: 311.084 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:52,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476800 47680 39.802 -39475 4362.3 -43837 -43837 -0.49324 0.9901 0.31983 2.3339e+05 2023-02-16 05:25:55,170 INFO [main.py:643]
{rank 0/100} MD step = 476900 step time: 00:00:00.020465 Performance: 311.085 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:55,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476900 47690 40.403 -39327 4428.2 -43755 -43755 -0.49291 0.99076 0.31972 2.3346e+05 2023-02-16 05:25:58,028 INFO [main.py:643]
{rank 0/100} MD step = 477000 step time: 00:00:00.020353 Performance: 311.083 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:25:58,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477000 47700 39.839 -39524 4366.4 -43890 -43890 -0.49185 0.99065 0.31964 2.3349e+05 2023-02-16 05:26:00,819 INFO [main.py:643]
{rank 0/100} MD step = 477100 step time: 00:00:00.020354 Performance: 311.083 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:26:01,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477100 47710 40 -39532 4384 -43916 -43916 -0.49175 0.99111 0.3193 2.3354e+05 2023-02-16 05:26:03,507 INFO [main.py:643]
{rank 0/100} MD step = 477200 step time: 00:00:00.020494 Performance: 311.085 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:26:04,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477200 47720 39.565 -39482 4336.3 -43818 -43818 -0.49089 0.99103 0.31962 2.3359e+05 2023-02-16 05:26:06,382 INFO [main.py:643]
{rank 0/100} MD step = 477300 step time: 00:00:00.020612 Performance: 311.082 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:26:06,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477300 47730 40.143 -39401 4399.7 -43801 -43801 -0.49222 0.99185 0.31982 2.3364e+05 2023-02-16 05:26:08,865 INFO [main.py:643]
{rank 0/100} MD step = 477400 step time: 00:00:00.020489 Performance: 311.089 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:09,385 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477400 47740 39.993 -39430 4383.3 -43813 -43813 -0.49247 0.99299 0.32046 2.337e+05 2023-02-16 05:26:11,678 INFO [main.py:643]
{rank 0/100} MD step = 477500 step time: 00:00:00.020404 Performance: 311.089 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:12,325 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477500 47750 39.294 -39546 4306.7 -43852 -43852 -0.49317 0.99323 0.32093 2.3375e+05 2023-02-16 05:26:14,465 INFO [main.py:643]
{rank 0/100} MD step = 477600 step time: 00:00:00.020301 Performance: 311.088 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:15,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477600 47760 40.262 -39486 4412.7 -43899 -43899 -0.49312 0.994 0.32065 2.338e+05 2023-02-16 05:26:17,384 INFO [main.py:643]
{rank 0/100} MD step = 477700 step time: 00:00:00.021374 Performance: 311.085 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:26:17,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477700 47770 40.051 -39388 4389.6 -43778 -43778 -0.49242 0.99472 0.31988 2.3385e+05 2023-02-16 05:26:20,075 INFO [main.py:643]
{rank 0/100} MD step = 477800 step time: 00:00:00.020381 Performance: 311.087 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:26:20,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477800 47780 40.366 -39345 4424.1 -43769 -43769 -0.4929 0.99555 0.31934 2.3391e+05 2023-02-16 05:26:22,831 INFO [main.py:643]
{rank 0/100} MD step = 477900 step time: 00:00:00.020408 Performance: 311.088 ns/day 0.077 hours/ns 36.005 steps/s 2023-02-16 05:26:23,482 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477900 47790 39.829 -39439 4365.3 -43805 -43805 -0.49323 0.99533 0.31991 2.3394e+05 2023-02-16 05:26:25,512 INFO [main.py:643]
{rank 0/100} MD step = 478000 step time: 00:00:00.020481 Performance: 311.090 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:25,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478000 47800 40.123 -39486 4397.5 -43884 -43884 -0.49354 0.99531 0.3203 2.3399e+05 2023-02-16 05:26:28,235 INFO [main.py:643]
{rank 0/100} MD step = 478100 step time: 00:00:00.022027 Performance: 311.091 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:28,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478100 47810 40.076 -39493 4392.4 -43885 -43885 -0.49428 0.99501 0.3218 2.3403e+05 2023-02-16 05:26:30,984 INFO [main.py:643]
{rank 0/100} MD step = 478200 step time: 00:00:00.020320 Performance: 311.092 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:31,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478200 47820 40.497 -39426 4438.5 -43864 -43864 -0.49471 0.99533 0.32222 2.3408e+05 2023-02-16 05:26:33,689 INFO [main.py:643]
{rank 0/100} MD step = 478300 step time: 00:00:00.020351 Performance: 311.093 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:34,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478300 47830 39.443 -39499 4322.9 -43822 -43822 -0.49471 0.99515 0.32246 2.3412e+05 2023-02-16 05:26:36,444 INFO [main.py:643]
{rank 0/100} MD step = 478400 step time: 00:00:00.020476 Performance: 311.094 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:37,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478400 47840 40.029 -39473 4387.2 -43860 -43860 -0.49386 0.99559 0.32244 2.3417e+05 2023-02-16 05:26:39,145 INFO [main.py:643]
{rank 0/100} MD step = 478500 step time: 00:00:00.020465 Performance: 311.096 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:39,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478500 47850 40.448 -39428 4433.2 -43861 -43861 -0.49333 0.99568 0.32241 2.3423e+05 2023-02-16 05:26:41,926 INFO [main.py:643]
{rank 0/100} MD step = 478600 step time: 00:00:00.020646 Performance: 311.096 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:42,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478600 47860 40.264 -39456 4412.9 -43869 -43869 -0.49243 0.99552 0.32102 2.3427e+05 2023-02-16 05:26:44,808 INFO [main.py:643]
{rank 0/100} MD step = 478700 step time: 00:00:00.020510 Performance: 311.093 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:45,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478700 47870 40.057 -39447 4390.3 -43838 -43838 -0.49123 0.99624 0.32089 2.3432e+05 2023-02-16 05:26:47,780 INFO [main.py:643]
{rank 0/100} MD step = 478800 step time: 00:00:00.020492 Performance: 311.089 ns/day 0.077 hours/ns 36.006 steps/s 2023-02-16 05:26:49,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478800 47880 40.202 -39440 4406.2 -43846 -43846 -0.48963 0.99651 0.32097 2.3438e+05 2023-02-16 05:26:52,058 INFO [main.py:643]
{rank 0/100} MD step = 478900 step time: 00:00:00.020425 Performance: 311.054 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:26:52,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478900 47890 39.853 -39477 4368 -43845 -43845 -0.48914 0.99657 0.32228 2.3442e+05 2023-02-16 05:26:54,844 INFO [main.py:643]
{rank 0/100} MD step = 479000 step time: 00:00:00.020425 Performance: 311.053 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:26:55,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479000 47900 39.954 -39395 4379 -43774 -43774 -0.48978 0.99745 0.32225 2.3448e+05 2023-02-16 05:26:58,011 INFO [main.py:643]
{rank 0/100} MD step = 479100 step time: 00:00:00.020441 Performance: 311.044 ns/day 0.077 hours/ns 36.000 steps/s 2023-02-16 05:26:58,686 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479100 47910 39.45 -39480 4323.7 -43804 -43804 -0.48949 0.99853 0.32224 2.3452e+05 2023-02-16 05:27:00,716 INFO [main.py:643]
{rank 0/100} MD step = 479200 step time: 00:00:00.020357 Performance: 311.046 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:01,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479200 47920 39.908 -39558 4374 -43932 -43932 -0.49033 0.99894 0.3221 2.3457e+05 2023-02-16 05:27:03,404 INFO [main.py:643]
{rank 0/100} MD step = 479300 step time: 00:00:00.020429 Performance: 311.048 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:04,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479300 47930 39.404 -39495 4318.7 -43814 -43814 -0.49149 0.99943 0.32187 2.3462e+05 2023-02-16 05:27:06,186 INFO [main.py:643]
{rank 0/100} MD step = 479400 step time: 00:00:00.020436 Performance: 311.048 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:06,861 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479400 47940 40.11 -39527 4396.1 -43923 -43923 -0.4904 1.0006 0.32124 2.3466e+05 2023-02-16 05:27:08,942 INFO [main.py:643]
{rank 0/100} MD step = 479500 step time: 00:00:00.020550 Performance: 311.048 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:09,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479500 47950 39.985 -39417 4382.4 -43800 -43800 -0.49014 1.0013 0.32088 2.3471e+05 2023-02-16 05:27:11,645 INFO [main.py:643]
{rank 0/100} MD step = 479600 step time: 00:00:00.020472 Performance: 311.050 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:12,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479600 47960 40.181 -39449 4403.8 -43853 -43853 -0.49127 1.0022 0.32109 2.3477e+05 2023-02-16 05:27:14,553 INFO [main.py:643]
{rank 0/100} MD step = 479700 step time: 00:00:00.020336 Performance: 311.047 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:15,124 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479700 47970 39.502 -39531 4329.5 -43861 -43861 -0.49161 1.0025 0.32099 2.3481e+05 2023-02-16 05:27:17,469 INFO [main.py:643]
{rank 0/100} MD step = 479800 step time: 00:00:00.020410 Performance: 311.044 ns/day 0.077 hours/ns 36.000 steps/s 2023-02-16 05:27:18,205 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479800 47980 39.979 -39398 4381.7 -43779 -43779 -0.49276 1.0021 0.32048 2.3487e+05 2023-02-16 05:27:20,298 INFO [main.py:643]
{rank 0/100} MD step = 479900 step time: 00:00:00.020411 Performance: 311.043 ns/day 0.077 hours/ns 36.000 steps/s 2023-02-16 05:27:20,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479900 47990 40.237 -39417 4410.1 -43827 -43827 -0.49308 1.002 0.32169 2.3492e+05 2023-02-16 05:27:23,032 INFO [main.py:643]
{rank 0/100} MD step = 480000 step time: 00:00:00.020535 Performance: 311.044 ns/day 0.077 hours/ns 36.000 steps/s 2023-02-16 05:27:23,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480000 48000 40.349 -39463 4422.3 -43886 -43886 -0.49287 1.0019 0.3211 2.3496e+05 2023-02-16 05:27:25,780 INFO [main.py:643]
{rank 0/100} MD step = 480100 step time: 00:00:00.020408 Performance: 311.044 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:26,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480100 48010 39.556 -39431 4335.4 -43766 -43766 -0.49273 1.0012 0.32021 2.3501e+05 2023-02-16 05:27:28,471 INFO [main.py:643]
{rank 0/100} MD step = 480200 step time: 00:00:00.020384 Performance: 311.046 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:29,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480200 48020 39.48 -39436 4327.1 -43763 -43763 -0.49079 1.0017 0.32079 2.3506e+05 2023-02-16 05:27:31,199 INFO [main.py:643]
{rank 0/100} MD step = 480300 step time: 00:00:00.020546 Performance: 311.048 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:31,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480300 48030 40.581 -39374 4447.7 -43822 -43822 -0.49096 1.0006 0.32104 2.3513e+05 2023-02-16 05:27:33,933 INFO [main.py:643]
{rank 0/100} MD step = 480400 step time: 00:00:00.020496 Performance: 311.049 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:34,343 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480400 48040 39.95 -39567 4378.6 -43946 -43946 -0.48999 1.001 0.3225 2.3517e+05 2023-02-16 05:27:36,712 INFO [main.py:643]
{rank 0/100} MD step = 480500 step time: 00:00:00.020496 Performance: 311.049 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:37,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480500 48050 39.416 -39581 4320 -43901 -43901 -0.48959 1.0018 0.32295 2.3522e+05 2023-02-16 05:27:39,478 INFO [main.py:643]
{rank 0/100} MD step = 480600 step time: 00:00:00.020401 Performance: 311.049 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:40,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480600 48060 40.184 -39481 4404.2 -43885 -43885 -0.48956 1.0024 0.32255 2.3528e+05 2023-02-16 05:27:42,200 INFO [main.py:643]
{rank 0/100} MD step = 480700 step time: 00:00:00.020447 Performance: 311.050 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:42,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480700 48070 40.486 -39409 4437.3 -43846 -43846 -0.49049 1.0026 0.32307 2.3533e+05 2023-02-16 05:27:44,932 INFO [main.py:643]
{rank 0/100} MD step = 480800 step time: 00:00:00.020444 Performance: 311.051 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:45,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480800 48080 40.498 -39334 4438.6 -43773 -43773 -0.49044 1.0021 0.32326 2.3537e+05 2023-02-16 05:27:47,761 INFO [main.py:643]
{rank 0/100} MD step = 480900 step time: 00:00:00.020381 Performance: 311.050 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:48,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480900 48090 39.741 -39480 4355.6 -43836 -43836 -0.49046 1.0014 0.32312 2.3543e+05 2023-02-16 05:27:50,491 INFO [main.py:643]
{rank 0/100} MD step = 481000 step time: 00:00:00.020580 Performance: 311.051 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:51,037 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481000 48100 39.83 -39474 4365.4 -43840 -43840 -0.49148 1.0017 0.32256 2.3548e+05 2023-02-16 05:27:53,214 INFO [main.py:643]
{rank 0/100} MD step = 481100 step time: 00:00:00.020362 Performance: 311.052 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:53,896 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481100 48110 39.544 -39503 4334.1 -43837 -43837 -0.49256 1.002 0.32182 2.3552e+05 2023-02-16 05:27:55,949 INFO [main.py:643]
{rank 0/100} MD step = 481200 step time: 00:00:00.020358 Performance: 311.053 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:27:56,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481200 48120 40.443 -39507 4432.6 -43939 -43939 -0.49248 1.0016 0.32326 2.3557e+05 2023-02-16 05:27:58,836 INFO [main.py:643]
{rank 0/100} MD step = 481300 step time: 00:00:00.020475 Performance: 311.051 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:27:59,606 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481300 48130 39.606 -39434 4340.8 -43774 -43774 -0.49287 1.0008 0.32345 2.3561e+05 2023-02-16 05:28:01,637 INFO [main.py:643]
{rank 0/100} MD step = 481400 step time: 00:00:00.020302 Performance: 311.050 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:02,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481400 48140 39.691 -39513 4350.2 -43863 -43863 -0.49205 1.0011 0.32268 2.3567e+05 2023-02-16 05:28:04,375 INFO [main.py:643]
{rank 0/100} MD step = 481500 step time: 00:00:00.020491 Performance: 311.051 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:05,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481500 48150 39.76 -39508 4357.7 -43866 -43866 -0.49248 1.0016 0.32261 2.3571e+05 2023-02-16 05:28:07,259 INFO [main.py:643]
{rank 0/100} MD step = 481600 step time: 00:00:00.020533 Performance: 311.049 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:07,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481600 48160 39.999 -39387 4384 -43771 -43771 -0.49357 1.0008 0.32354 2.3576e+05 2023-02-16 05:28:10,064 INFO [main.py:643]
{rank 0/100} MD step = 481700 step time: 00:00:00.020429 Performance: 311.048 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:10,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481700 48170 39.646 -39443 4345.3 -43789 -43789 -0.49413 1.0007 0.32244 2.3583e+05 2023-02-16 05:28:12,703 INFO [main.py:643]
{rank 0/100} MD step = 481800 step time: 00:00:00.020426 Performance: 311.051 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:13,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481800 48180 39.846 -39485 4367.2 -43852 -43852 -0.4959 1.002 0.32311 2.3586e+05 2023-02-16 05:28:15,457 INFO [main.py:643]
{rank 0/100} MD step = 481900 step time: 00:00:00.020586 Performance: 311.052 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:15,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481900 48190 40.04 -39452 4388.4 -43840 -43840 -0.49575 1.0024 0.32319 2.3589e+05 2023-02-16 05:28:18,176 INFO [main.py:643]
{rank 0/100} MD step = 482000 step time: 00:00:00.021352 Performance: 311.053 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:19,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482000 48200 39.461 -39488 4325 -43813 -43813 -0.49574 1.002 0.3224 2.3594e+05 2023-02-16 05:28:21,051 INFO [main.py:643]
{rank 0/100} MD step = 482100 step time: 00:00:00.020714 Performance: 311.051 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:21,648 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482100 48210 40.392 -39474 4427.1 -43902 -43902 -0.49599 1.0034 0.3223 2.3598e+05 2023-02-16 05:28:23,796 INFO [main.py:643]
{rank 0/100} MD step = 482200 step time: 00:00:00.020478 Performance: 311.052 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:24,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482200 48220 40.225 -39489 4408.7 -43898 -43898 -0.49711 1.0027 0.32244 2.3602e+05 2023-02-16 05:28:26,561 INFO [main.py:643]
{rank 0/100} MD step = 482300 step time: 00:00:00.020453 Performance: 311.052 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:27,229 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482300 48230 39.732 -39476 4354.7 -43830 -43830 -0.4973 1.0033 0.32239 2.3607e+05 2023-02-16 05:28:29,331 INFO [main.py:643]
{rank 0/100} MD step = 482400 step time: 00:00:00.020483 Performance: 311.052 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:30,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482400 48240 40.204 -39442 4406.4 -43848 -43848 -0.4973 1.0039 0.32227 2.3611e+05 2023-02-16 05:28:32,109 INFO [main.py:643]
{rank 0/100} MD step = 482500 step time: 00:00:00.020381 Performance: 311.052 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:32,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482500 48250 39.756 -39621 4357.3 -43978 -43978 -0.49715 1.0039 0.32173 2.3616e+05 2023-02-16 05:28:34,768 INFO [main.py:643]
{rank 0/100} MD step = 482600 step time: 00:00:00.020497 Performance: 311.055 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:35,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482600 48260 39.333 -39514 4311 -43825 -43825 -0.49601 1.0036 0.32157 2.3623e+05 2023-02-16 05:28:37,630 INFO [main.py:643]
{rank 0/100} MD step = 482700 step time: 00:00:00.020348 Performance: 311.053 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:38,102 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482700 48270 39.726 -39452 4354.1 -43806 -43806 -0.49596 1.0031 0.32148 2.3628e+05 2023-02-16 05:28:40,327 INFO [main.py:643]
{rank 0/100} MD step = 482800 step time: 00:00:00.020488 Performance: 311.055 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:40,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482800 48280 39.913 -39445 4374.5 -43820 -43820 -0.49508 1.0039 0.32109 2.3632e+05 2023-02-16 05:28:43,092 INFO [main.py:643]
{rank 0/100} MD step = 482900 step time: 00:00:00.020404 Performance: 311.055 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:43,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482900 48290 39.683 -39475 4349.3 -43824 -43824 -0.49424 1.0042 0.32116 2.3638e+05 2023-02-16 05:28:45,941 INFO [main.py:643]
{rank 0/100} MD step = 483000 step time: 00:00:00.020469 Performance: 311.054 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:46,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483000 48300 40.061 -39467 4390.8 -43858 -43858 -0.4921 1.005 0.32051 2.3642e+05 2023-02-16 05:28:48,751 INFO [main.py:643]
{rank 0/100} MD step = 483100 step time: 00:00:00.020327 Performance: 311.053 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:28:49,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483100 48310 39.821 -39487 4364.4 -43852 -43852 -0.4921 1.0046 0.32038 2.365e+05 2023-02-16 05:28:51,425 INFO [main.py:643]
{rank 0/100} MD step = 483200 step time: 00:00:00.020519 Performance: 311.055 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:52,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483200 48320 39.722 -39554 4353.6 -43908 -43908 -0.4898 1.0043 0.32082 2.3653e+05 2023-02-16 05:28:54,166 INFO [main.py:643]
{rank 0/100} MD step = 483300 step time: 00:00:00.020611 Performance: 311.056 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:54,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483300 48330 39.511 -39447 4330.5 -43778 -43778 -0.49123 1.0048 0.32064 2.3658e+05 2023-02-16 05:28:56,876 INFO [main.py:643]
{rank 0/100} MD step = 483400 step time: 00:00:00.020521 Performance: 311.058 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:28:57,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483400 48340 39.954 -39394 4379.1 -43773 -43773 -0.49159 1.0065 0.31984 2.3664e+05 2023-02-16 05:28:59,587 INFO [main.py:643]
{rank 0/100} MD step = 483500 step time: 00:00:00.020209 Performance: 311.059 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:29:00,244 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483500 48350 40.057 -39420 4390.3 -43810 -43810 -0.49008 1.0078 0.32026 2.3668e+05 2023-02-16 05:29:02,279 INFO [main.py:643]
{rank 0/100} MD step = 483600 step time: 00:00:00.020430 Performance: 311.061 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:29:02,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483600 48360 39.799 -39417 4362 -43779 -43779 -0.49069 1.0085 0.32056 2.3673e+05 2023-02-16 05:29:05,001 INFO [main.py:643]
{rank 0/100} MD step = 483700 step time: 00:00:00.020377 Performance: 311.062 ns/day 0.077 hours/ns 36.003 steps/s 2023-02-16 05:29:05,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483700 48370 40.169 -39475 4402.6 -43877 -43877 -0.49277 1.0088 0.32063 2.3679e+05 2023-02-16 05:29:07,815 INFO [main.py:643]
{rank 0/100} MD step = 483800 step time: 00:00:00.020301 Performance: 311.062 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:29:08,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483800 48380 39.64 -39527 4344.6 -43872 -43872 -0.49292 1.0088 0.32103 2.3684e+05 2023-02-16 05:29:10,518 INFO [main.py:643]
{rank 0/100} MD step = 483900 step time: 00:00:00.020551 Performance: 311.063 ns/day 0.077 hours/ns 36.003 steps/s 2023-02-16 05:29:11,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483900 48390 39.365 -39490 4314.5 -43804 -43804 -0.49377 1.0092 0.32128 2.3687e+05 2023-02-16 05:29:13,571 INFO [main.py:643]
{rank 0/100} MD step = 484000 step time: 00:00:00.020279 Performance: 311.057 ns/day 0.077 hours/ns 36.002 steps/s 2023-02-16 05:29:14,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484000 48400 40.044 -39447 4388.9 -43836 -43836 -0.49452 1.0089 0.32192 2.3693e+05 2023-02-16 05:29:16,776 INFO [main.py:643]
{rank 0/100} MD step = 484100 step time: 00:00:00.020643 Performance: 311.047 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:29:17,332 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484100 48410 39.901 -39470 4373.3 -43843 -43843 -0.4957 1.0087 0.32289 2.3698e+05 2023-02-16 05:29:19,469 INFO [main.py:643]
{rank 0/100} MD step = 484200 step time: 00:00:00.020413 Performance: 311.049 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:29:19,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484200 48420 39.215 -39507 4298 -43805 -43805 -0.49615 1.0091 0.32319 2.3702e+05 2023-02-16 05:29:22,295 INFO [main.py:643]
{rank 0/100} MD step = 484300 step time: 00:00:00.020512 Performance: 311.048 ns/day 0.077 hours/ns 36.001 steps/s 2023-02-16 05:29:24,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484300 48430 40.285 -39439 4415.3 -43854 -43854 -0.49468 1.0095 0.32295 2.3705e+05 2023-02-16 05:29:26,884 INFO [main.py:643]
{rank 0/100} MD step = 484400 step time: 00:00:00.020473 Performance: 311.006 ns/day 0.077 hours/ns 35.996 steps/s 2023-02-16 05:29:27,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484400 48440 40.149 -39448 4400.4 -43848 -43848 -0.49448 1.0094 0.32306 2.371e+05 2023-02-16 05:29:30,191 INFO [main.py:643]
{rank 0/100} MD step = 484500 step time: 00:00:00.020402 Performance: 310.994 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:30,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484500 48450 39.734 -39549 4354.9 -43904 -43904 -0.4953 1.0102 0.32402 2.3714e+05 2023-02-16 05:29:32,948 INFO [main.py:643]
{rank 0/100} MD step = 484600 step time: 00:00:00.020534 Performance: 310.994 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:33,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484600 48460 40.307 -39541 4417.7 -43959 -43959 -0.49548 1.0111 0.32364 2.372e+05 2023-02-16 05:29:35,671 INFO [main.py:643]
{rank 0/100} MD step = 484700 step time: 00:00:00.020450 Performance: 310.996 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:36,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484700 48470 40.128 -39460 4398 -43858 -43858 -0.49586 1.0114 0.3241 2.3725e+05 2023-02-16 05:29:38,476 INFO [main.py:643]
{rank 0/100} MD step = 484800 step time: 00:00:00.020580 Performance: 310.995 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:39,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484800 48480 40.545 -39470 4443.8 -43914 -43914 -0.49594 1.0109 0.32498 2.3728e+05 2023-02-16 05:29:41,220 INFO [main.py:643]
{rank 0/100} MD step = 484900 step time: 00:00:00.020356 Performance: 310.996 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:41,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484900 48490 40.351 -39410 4422.6 -43833 -43833 -0.49492 1.0114 0.32514 2.3735e+05 2023-02-16 05:29:43,963 INFO [main.py:643]
{rank 0/100} MD step = 485000 step time: 00:00:00.020485 Performance: 310.997 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:44,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485000 48500 40.028 -39403 4387.1 -43790 -43790 -0.49588 1.0112 0.32601 2.374e+05 2023-02-16 05:29:46,712 INFO [main.py:643]
{rank 0/100} MD step = 485100 step time: 00:00:00.020532 Performance: 310.997 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:47,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485100 48510 40.31 -39465 4418 -43883 -43883 -0.49777 1.0116 0.32622 2.3744e+05 2023-02-16 05:29:49,375 INFO [main.py:643]
{rank 0/100} MD step = 485200 step time: 00:00:00.020331 Performance: 311.000 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:50,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485200 48520 39.907 -39453 4373.9 -43827 -43827 -0.49672 1.0109 0.32597 2.3749e+05 2023-02-16 05:29:52,193 INFO [main.py:643]
{rank 0/100} MD step = 485300 step time: 00:00:00.020572 Performance: 310.999 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:52,865 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485300 48530 39.86 -39472 4368.7 -43841 -43841 -0.49702 1.0108 0.32486 2.3754e+05 2023-02-16 05:29:54,971 INFO [main.py:643]
{rank 0/100} MD step = 485400 step time: 00:00:00.020398 Performance: 310.999 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:29:56,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485400 48540 39.987 -39442 4382.6 -43824 -43824 -0.49728 1.0118 0.3243 2.3758e+05 2023-02-16 05:29:58,263 INFO [main.py:643]
{rank 0/100} MD step = 485500 step time: 00:00:00.022028 Performance: 310.987 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:29:58,884 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485500 48550 40.072 -39448 4392 -43840 -43840 -0.49845 1.0109 0.3249 2.3763e+05 2023-02-16 05:30:01,094 INFO [main.py:643]
{rank 0/100} MD step = 485600 step time: 00:00:00.020690 Performance: 310.986 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:01,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485600 48560 40.543 -39421 4443.6 -43865 -43865 -0.49901 1.0114 0.32657 2.3767e+05 2023-02-16 05:30:03,827 INFO [main.py:643]
{rank 0/100} MD step = 485700 step time: 00:00:00.020564 Performance: 310.987 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:04,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485700 48570 40.239 -39413 4410.3 -43823 -43823 -0.49953 1.0117 0.32734 2.3772e+05 2023-02-16 05:30:06,535 INFO [main.py:643]
{rank 0/100} MD step = 485800 step time: 00:00:00.020371 Performance: 310.989 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:07,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485800 48580 39.582 -39499 4338.2 -43838 -43838 -0.49704 1.0119 0.32695 2.3777e+05 2023-02-16 05:30:09,316 INFO [main.py:643]
{rank 0/100} MD step = 485900 step time: 00:00:00.020593 Performance: 310.989 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:09,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485900 48590 40.29 -39491 4415.8 -43906 -43906 -0.49763 1.012 0.32624 2.3782e+05 2023-02-16 05:30:12,065 INFO [main.py:643]
{rank 0/100} MD step = 486000 step time: 00:00:00.020432 Performance: 310.989 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:12,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486000 48600 40.048 -39407 4389.3 -43796 -43796 -0.49732 1.0124 0.32721 2.3785e+05 2023-02-16 05:30:14,770 INFO [main.py:643]
{rank 0/100} MD step = 486100 step time: 00:00:00.021010 Performance: 310.991 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:15,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486100 48610 39.957 -39533 4379.3 -43913 -43913 -0.49687 1.0133 0.32689 2.3789e+05 2023-02-16 05:30:17,529 INFO [main.py:643]
{rank 0/100} MD step = 486200 step time: 00:00:00.020560 Performance: 310.991 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:18,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486200 48620 39.689 -39465 4350 -43815 -43815 -0.49801 1.013 0.3263 2.3796e+05 2023-02-16 05:30:20,228 INFO [main.py:643]
{rank 0/100} MD step = 486300 step time: 00:00:00.020430 Performance: 310.993 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:30:20,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486300 48630 39.835 -39489 4365.9 -43855 -43855 -0.49711 1.0127 0.3268 2.3801e+05 2023-02-16 05:30:23,145 INFO [main.py:643]
{rank 0/100} MD step = 486400 step time: 00:00:00.020429 Performance: 310.990 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:23,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486400 48640 40.098 -39427 4394.8 -43822 -43822 -0.49583 1.0129 0.32668 2.3807e+05 2023-02-16 05:30:25,976 INFO [main.py:643]
{rank 0/100} MD step = 486500 step time: 00:00:00.020433 Performance: 310.989 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:26,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486500 48650 40.175 -39448 4403.2 -43851 -43851 -0.49591 1.012 0.32712 2.3812e+05 2023-02-16 05:30:28,782 INFO [main.py:643]
{rank 0/100} MD step = 486600 step time: 00:00:00.020522 Performance: 310.988 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:29,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486600 48660 39.874 -39482 4370.2 -43853 -43853 -0.49395 1.0122 0.32701 2.3818e+05 2023-02-16 05:30:31,628 INFO [main.py:643]
{rank 0/100} MD step = 486700 step time: 00:00:00.020466 Performance: 310.987 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:32,301 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486700 48670 40.04 -39462 4388.5 -43851 -43851 -0.49437 1.0128 0.32707 2.3821e+05 2023-02-16 05:30:34,333 INFO [main.py:643]
{rank 0/100} MD step = 486800 step time: 00:00:00.020435 Performance: 310.988 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:35,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486800 48680 40.186 -39470 4404.4 -43874 -43874 -0.49447 1.0125 0.32693 2.3826e+05 2023-02-16 05:30:37,109 INFO [main.py:643]
{rank 0/100} MD step = 486900 step time: 00:00:00.020392 Performance: 310.988 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:37,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486900 48690 39.768 -39451 4358.7 -43810 -43810 -0.49311 1.0132 0.32747 2.3832e+05 2023-02-16 05:30:39,814 INFO [main.py:643]
{rank 0/100} MD step = 487000 step time: 00:00:00.020394 Performance: 310.990 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:40,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487000 48700 40.308 -39367 4417.8 -43785 -43785 -0.49418 1.0137 0.32753 2.3838e+05 2023-02-16 05:30:42,534 INFO [main.py:643]
{rank 0/100} MD step = 487100 step time: 00:00:00.020397 Performance: 310.991 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:43,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487100 48710 39.274 -39541 4304.5 -43846 -43846 -0.49313 1.0132 0.32693 2.3843e+05 2023-02-16 05:30:45,249 INFO [main.py:643]
{rank 0/100} MD step = 487200 step time: 00:00:00.020426 Performance: 310.993 ns/day 0.077 hours/ns 35.995 steps/s 2023-02-16 05:30:46,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487200 48720 39.736 -39454 4355.1 -43809 -43809 -0.49152 1.0137 0.32722 2.3847e+05 2023-02-16 05:30:48,119 INFO [main.py:643]
{rank 0/100} MD step = 487300 step time: 00:00:00.020643 Performance: 310.991 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:49,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487300 48730 40.181 -39532 4403.9 -43936 -43936 -0.49165 1.0131 0.32654 2.3851e+05 2023-02-16 05:30:51,056 INFO [main.py:643]
{rank 0/100} MD step = 487400 step time: 00:00:00.020357 Performance: 310.987 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:51,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487400 48740 39.836 -39473 4366.1 -43839 -43839 -0.49072 1.0134 0.32602 2.3857e+05 2023-02-16 05:30:53,816 INFO [main.py:643]
{rank 0/100} MD step = 487500 step time: 00:00:00.020501 Performance: 310.987 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:30:54,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487500 48750 39.59 -39509 4339.1 -43848 -43848 -0.49139 1.0131 0.32554 2.3862e+05 2023-02-16 05:30:56,788 INFO [main.py:643]
{rank 0/100} MD step = 487600 step time: 00:00:00.020345 Performance: 310.983 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:30:57,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487600 48760 39.88 -39451 4370.9 -43822 -43822 -0.49201 1.0129 0.32653 2.3867e+05 2023-02-16 05:30:59,545 INFO [main.py:643]
{rank 0/100} MD step = 487700 step time: 00:00:00.020853 Performance: 310.983 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:00,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487700 48770 39.303 -39554 4307.7 -43861 -43861 -0.49401 1.0135 0.32598 2.3872e+05 2023-02-16 05:31:02,274 INFO [main.py:643]
{rank 0/100} MD step = 487800 step time: 00:00:00.020319 Performance: 310.985 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:31:02,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487800 48780 40.433 -39403 4431.5 -43834 -43834 -0.49252 1.0136 0.32469 2.3876e+05 2023-02-16 05:31:05,072 INFO [main.py:643]
{rank 0/100} MD step = 487900 step time: 00:00:00.020522 Performance: 310.984 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:31:05,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487900 48790 40.238 -39425 4410.1 -43835 -43835 -0.49281 1.014 0.32402 2.3882e+05 2023-02-16 05:31:07,871 INFO [main.py:643]
{rank 0/100} MD step = 488000 step time: 00:00:00.020404 Performance: 310.984 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:08,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488000 48800 39.833 -39471 4365.7 -43837 -43837 -0.49563 1.014 0.32428 2.3886e+05 2023-02-16 05:31:10,682 INFO [main.py:643]
{rank 0/100} MD step = 488100 step time: 00:00:00.020357 Performance: 310.983 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:11,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488100 48810 39.377 -39542 4315.7 -43858 -43858 -0.49388 1.0136 0.32402 2.389e+05 2023-02-16 05:31:13,423 INFO [main.py:643]
{rank 0/100} MD step = 488200 step time: 00:00:00.020456 Performance: 310.984 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:14,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488200 48820 39.857 -39414 4368.4 -43782 -43782 -0.49348 1.0142 0.3241 2.3896e+05 2023-02-16 05:31:16,242 INFO [main.py:643]
{rank 0/100} MD step = 488300 step time: 00:00:00.020458 Performance: 310.983 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:16,962 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488300 48830 40.245 -39367 4410.9 -43778 -43778 -0.49229 1.0157 0.32295 2.3902e+05 2023-02-16 05:31:19,022 INFO [main.py:643]
{rank 0/100} MD step = 488400 step time: 00:00:00.020467 Performance: 310.983 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:19,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488400 48840 39.794 -39513 4361.5 -43875 -43875 -0.4925 1.0164 0.32397 2.3906e+05 2023-02-16 05:31:21,861 INFO [main.py:643]
{rank 0/100} MD step = 488500 step time: 00:00:00.020501 Performance: 310.981 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:22,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488500 48850 40.281 -39348 4414.9 -43763 -43763 -0.49292 1.0171 0.32373 2.3911e+05 2023-02-16 05:31:24,620 INFO [main.py:643]
{rank 0/100} MD step = 488600 step time: 00:00:00.020482 Performance: 310.982 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:25,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488600 48860 40.094 -39463 4394.3 -43858 -43858 -0.49219 1.0173 0.32326 2.3916e+05 2023-02-16 05:31:27,415 INFO [main.py:643]
{rank 0/100} MD step = 488700 step time: 00:00:00.020458 Performance: 310.981 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:28,091 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488700 48870 40.542 -39430 4443.5 -43874 -43874 -0.49188 1.0177 0.32267 2.392e+05 2023-02-16 05:31:30,138 INFO [main.py:643]
{rank 0/100} MD step = 488800 step time: 00:00:00.020532 Performance: 310.983 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:30,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488800 48880 40.477 -39283 4436.3 -43719 -43719 -0.49278 1.0173 0.32147 2.3927e+05 2023-02-16 05:31:32,847 INFO [main.py:643]
{rank 0/100} MD step = 488900 step time: 00:00:00.020392 Performance: 310.984 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:31:33,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488900 48890 39.534 -39534 4332.9 -43867 -43867 -0.49331 1.017 0.32158 2.3931e+05 2023-02-16 05:31:35,599 INFO [main.py:643]
{rank 0/100} MD step = 489000 step time: 00:00:00.020438 Performance: 310.985 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:31:36,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489000 48900 39.376 -39485 4315.7 -43801 -43801 -0.49386 1.0172 0.32217 2.3937e+05 2023-02-16 05:31:38,409 INFO [main.py:643]
{rank 0/100} MD step = 489100 step time: 00:00:00.020786 Performance: 310.984 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:31:39,010 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489100 48910 40.723 -39454 4463.2 -43917 -43917 -0.49398 1.017 0.32262 2.3941e+05 2023-02-16 05:31:41,094 INFO [main.py:643]
{rank 0/100} MD step = 489200 step time: 00:00:00.020265 Performance: 310.986 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:31:41,894 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489200 48920 40.397 -39507 4427.6 -43935 -43935 -0.49371 1.0175 0.32371 2.3945e+05 2023-02-16 05:31:43,942 INFO [main.py:643]
{rank 0/100} MD step = 489300 step time: 00:00:00.020416 Performance: 310.985 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:31:44,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489300 48930 40.351 -39440 4422.5 -43863 -43863 -0.49402 1.0177 0.32395 2.395e+05 2023-02-16 05:31:46,682 INFO [main.py:643]
{rank 0/100} MD step = 489400 step time: 00:00:00.020408 Performance: 310.986 ns/day 0.077 hours/ns 35.994 steps/s 2023-02-16 05:31:47,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489400 48940 39.864 -39483 4369.2 -43852 -43852 -0.49395 1.0178 0.32366 2.3952e+05 2023-02-16 05:31:49,780 INFO [main.py:643]
{rank 0/100} MD step = 489500 step time: 00:00:00.020489 Performance: 310.978 ns/day 0.077 hours/ns 35.993 steps/s 2023-02-16 05:31:50,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489500 48950 40.52 -39266 4441 -43707 -43707 -0.49296 1.017 0.32404 2.396e+05 2023-02-16 05:31:52,982 INFO [main.py:643]
{rank 0/100} MD step = 489600 step time: 00:00:00.020366 Performance: 310.969 ns/day 0.077 hours/ns 35.992 steps/s 2023-02-16 05:31:53,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489600 48960 39.994 -39362 4383.3 -43746 -43746 -0.49165 1.017 0.32488 2.3966e+05 2023-02-16 05:31:55,777 INFO [main.py:643]
{rank 0/100} MD step = 489700 step time: 00:00:00.020428 Performance: 310.968 ns/day 0.077 hours/ns 35.992 steps/s 2023-02-16 05:31:56,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489700 48970 39.875 -39502 4370.4 -43872 -43872 -0.48963 1.0167 0.32488 2.3969e+05 2023-02-16 05:31:58,851 INFO [main.py:643]
{rank 0/100} MD step = 489800 step time: 00:00:00.020434 Performance: 310.961 ns/day 0.077 hours/ns 35.991 steps/s 2023-02-16 05:31:59,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489800 48980 39.85 -39441 4367.6 -43809 -43809 -0.48929 1.0171 0.3256 2.3976e+05 2023-02-16 05:32:02,375 INFO [main.py:643]
{rank 0/100} MD step = 489900 step time: 00:00:00.020518 Performance: 310.944 ns/day 0.077 hours/ns 35.989 steps/s 2023-02-16 05:32:03,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489900 48990 39.429 -39512 4321.4 -43834 -43834 -0.48769 1.0171 0.32598 2.3981e+05 2023-02-16 05:32:05,493 INFO [main.py:643]
{rank 0/100} MD step = 490000 step time: 00:00:00.020399 Performance: 310.937 ns/day 0.077 hours/ns 35.988 steps/s 2023-02-16 05:32:06,919 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490000 49000 40.221 -39477 4408.3 -43886 -43886 -0.48977 1.0172 0.32598 2.3984e+05 2023-02-16 05:32:08,965 INFO [main.py:643]
{rank 0/100} MD step = 490100 step time: 00:00:00.020536 Performance: 310.921 ns/day 0.077 hours/ns 35.986 steps/s 2023-02-16 05:32:10,680 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490100 49010 40.762 -39385 4467.5 -43853 -43853 -0.48916 1.0168 0.32619 2.3988e+05 2023-02-16 05:32:12,738 INFO [main.py:643]
{rank 0/100} MD step = 490200 step time: 00:00:00.020459 Performance: 310.898 ns/day 0.077 hours/ns 35.984 steps/s 2023-02-16 05:32:13,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490200 49020 39.59 -39463 4339.1 -43802 -43802 -0.49191 1.0171 0.32692 2.3995e+05 2023-02-16 05:32:15,826 INFO [main.py:643]
{rank 0/100} MD step = 490300 step time: 00:00:00.020602 Performance: 310.891 ns/day 0.077 hours/ns 35.983 steps/s 2023-02-16 05:32:16,686 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490300 49030 39.632 -39570 4343.8 -43914 -43914 -0.49233 1.018 0.32609 2.3997e+05 2023-02-16 05:32:19,272 INFO [main.py:643]
{rank 0/100} MD step = 490400 step time: 00:00:00.020445 Performance: 310.876 ns/day 0.077 hours/ns 35.981 steps/s 2023-02-16 05:32:21,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490400 49040 39.936 -39372 4377 -43749 -43749 -0.49178 1.0179 0.32672 2.4004e+05 2023-02-16 05:32:23,311 INFO [main.py:643]
{rank 0/100} MD step = 490500 step time: 00:00:00.020371 Performance: 310.847 ns/day 0.077 hours/ns 35.978 steps/s 2023-02-16 05:32:24,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490500 49050 39.115 -39502 4287.1 -43789 -43789 -0.48967 1.0187 0.32692 2.4009e+05 2023-02-16 05:32:26,885 INFO [main.py:643]
{rank 0/100} MD step = 490600 step time: 00:00:00.020409 Performance: 310.829 ns/day 0.077 hours/ns 35.976 steps/s 2023-02-16 05:32:28,143 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490600 49060 39.744 -39617 4356 -43973 -43973 -0.49122 1.0188 0.32775 2.4012e+05 2023-02-16 05:32:30,318 INFO [main.py:643]
{rank 0/100} MD step = 490700 step time: 00:00:00.020491 Performance: 310.814 ns/day 0.077 hours/ns 35.974 steps/s 2023-02-16 05:32:31,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490700 49070 40.528 -39353 4441.9 -43795 -43795 -0.49229 1.0187 0.32787 2.4019e+05 2023-02-16 05:32:33,376 INFO [main.py:643]
{rank 0/100} MD step = 490800 step time: 00:00:00.020370 Performance: 310.808 ns/day 0.077 hours/ns 35.973 steps/s 2023-02-16 05:32:34,302 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490800 49080 39.557 -39421 4335.5 -43756 -43756 -0.49243 1.0187 0.32772 2.4025e+05 2023-02-16 05:32:36,525 INFO [main.py:643]
{rank 0/100} MD step = 490900 step time: 00:00:00.020475 Performance: 310.799 ns/day 0.077 hours/ns 35.972 steps/s 2023-02-16 05:32:37,247 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490900 49090 40.308 -39389 4417.8 -43807 -43807 -0.49271 1.0186 0.32906 2.4029e+05 2023-02-16 05:32:39,339 INFO [main.py:643]
{rank 0/100} MD step = 491000 step time: 00:00:00.020325 Performance: 310.799 ns/day 0.077 hours/ns 35.972 steps/s 2023-02-16 05:32:40,286 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491000 49100 39.641 -39491 4344.7 -43836 -43836 -0.49216 1.0186 0.32889 2.4034e+05 2023-02-16 05:32:42,330 INFO [main.py:643]
{rank 0/100} MD step = 491100 step time: 00:00:00.020611 Performance: 310.794 ns/day 0.077 hours/ns 35.972 steps/s 2023-02-16 05:32:43,320 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491100 49110 40.078 -39462 4392.6 -43855 -43855 -0.49219 1.0198 0.32885 2.4038e+05 2023-02-16 05:32:45,348 INFO [main.py:643]
{rank 0/100} MD step = 491200 step time: 00:00:00.020428 Performance: 310.788 ns/day 0.077 hours/ns 35.971 steps/s 2023-02-16 05:32:46,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491200 49120 40.697 -39323 4460.4 -43784 -43784 -0.49186 1.0208 0.32916 2.4045e+05 2023-02-16 05:32:48,252 INFO [main.py:643]
{rank 0/100} MD step = 491300 step time: 00:00:00.021996 Performance: 310.786 ns/day 0.077 hours/ns 35.971 steps/s 2023-02-16 05:32:48,962 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491300 49130 39.476 -39474 4326.7 -43801 -43801 -0.492 1.0221 0.32903 2.4049e+05 2023-02-16 05:32:51,217 INFO [main.py:643]
{rank 0/100} MD step = 491400 step time: 00:00:00.020349 Performance: 310.781 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:32:51,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491400 49140 40.258 -39393 4412.3 -43805 -43805 -0.49112 1.0228 0.32821 2.4055e+05 2023-02-16 05:32:53,995 INFO [main.py:643]
{rank 0/100} MD step = 491500 step time: 00:00:00.020425 Performance: 310.781 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:32:55,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491500 49150 39.976 -39466 4381.4 -43848 -43848 -0.4912 1.0237 0.32792 2.406e+05 2023-02-16 05:32:57,261 INFO [main.py:643]
{rank 0/100} MD step = 491600 step time: 00:00:00.020467 Performance: 310.770 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:32:57,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491600 49160 39.749 -39410 4356.5 -43767 -43767 -0.49228 1.0238 0.32729 2.4065e+05 2023-02-16 05:33:00,050 INFO [main.py:643]
{rank 0/100} MD step = 491700 step time: 00:00:00.020328 Performance: 310.770 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:00,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491700 49170 39.803 -39467 4362.4 -43830 -43830 -0.49143 1.0238 0.32697 2.407e+05 2023-02-16 05:33:02,797 INFO [main.py:643]
{rank 0/100} MD step = 491800 step time: 00:00:00.020586 Performance: 310.771 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:03,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491800 49180 40.571 -39419 4446.6 -43865 -43865 -0.49294 1.0238 0.32718 2.4076e+05 2023-02-16 05:33:05,550 INFO [main.py:643]
{rank 0/100} MD step = 491900 step time: 00:00:00.020539 Performance: 310.772 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:06,309 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491900 49190 40.412 -39382 4429.2 -43812 -43812 -0.49284 1.0238 0.32632 2.408e+05 2023-02-16 05:33:08,356 INFO [main.py:643]
{rank 0/100} MD step = 492000 step time: 00:00:00.021757 Performance: 310.771 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:09,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492000 49200 40.456 -39404 4434 -43838 -43838 -0.49256 1.0239 0.32653 2.4085e+05 2023-02-16 05:33:11,126 INFO [main.py:643]
{rank 0/100} MD step = 492100 step time: 00:00:00.020387 Performance: 310.771 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:11,620 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492100 49210 39.896 -39462 4372.6 -43834 -43834 -0.49275 1.0244 0.32728 2.409e+05 2023-02-16 05:33:13,821 INFO [main.py:643]
{rank 0/100} MD step = 492200 step time: 00:00:00.020535 Performance: 310.773 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:14,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492200 49220 39.767 -39459 4358.5 -43818 -43818 -0.49249 1.0247 0.32805 2.4095e+05 2023-02-16 05:33:16,708 INFO [main.py:643]
{rank 0/100} MD step = 492300 step time: 00:00:00.020466 Performance: 310.771 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:17,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492300 49230 39.857 -39456 4368.3 -43824 -43824 -0.49284 1.0253 0.32849 2.4099e+05 2023-02-16 05:33:19,454 INFO [main.py:643]
{rank 0/100} MD step = 492400 step time: 00:00:00.020381 Performance: 310.771 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:20,080 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492400 49240 39.796 -39419 4361.7 -43781 -43781 -0.49362 1.0249 0.32838 2.4105e+05 2023-02-16 05:33:22,130 INFO [main.py:643]
{rank 0/100} MD step = 492500 step time: 00:00:00.020491 Performance: 310.774 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:22,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492500 49250 40.117 -39399 4396.9 -43796 -43796 -0.49549 1.0255 0.32827 2.4107e+05 2023-02-16 05:33:24,838 INFO [main.py:643]
{rank 0/100} MD step = 492600 step time: 00:00:00.020400 Performance: 310.775 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:25,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492600 49260 40.13 -39456 4398.3 -43854 -43854 -0.49642 1.0261 0.32822 2.4113e+05 2023-02-16 05:33:27,748 INFO [main.py:643]
{rank 0/100} MD step = 492700 step time: 00:00:00.020427 Performance: 310.773 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:28,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492700 49270 40.488 -39430 4437.6 -43868 -43868 -0.49654 1.026 0.32787 2.4117e+05 2023-02-16 05:33:30,480 INFO [main.py:643]
{rank 0/100} MD step = 492800 step time: 00:00:00.020365 Performance: 310.774 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:31,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492800 49280 39.846 -39457 4367.2 -43824 -43824 -0.49661 1.0263 0.32855 2.4124e+05 2023-02-16 05:33:33,172 INFO [main.py:643]
{rank 0/100} MD step = 492900 step time: 00:00:00.020405 Performance: 310.776 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:33:33,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492900 49290 40.455 -39390 4433.9 -43824 -43824 -0.4963 1.0265 0.32909 2.4128e+05 2023-02-16 05:33:35,839 INFO [main.py:643]
{rank 0/100} MD step = 493000 step time: 00:00:00.020365 Performance: 310.778 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:33:36,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493000 49300 39.97 -39336 4380.8 -43717 -43717 -0.49513 1.0273 0.32809 2.4134e+05 2023-02-16 05:33:38,585 INFO [main.py:643]
{rank 0/100} MD step = 493100 step time: 00:00:00.020484 Performance: 310.779 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:33:39,171 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493100 49310 40.031 -39429 4387.5 -43817 -43817 -0.49409 1.0275 0.3276 2.4137e+05 2023-02-16 05:33:41,198 INFO [main.py:643]
{rank 0/100} MD step = 493200 step time: 00:00:00.020481 Performance: 310.783 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:33:41,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493200 49320 39.115 -39422 4287.1 -43709 -43709 -0.49498 1.027 0.32771 2.4143e+05 2023-02-16 05:33:43,963 INFO [main.py:643]
{rank 0/100} MD step = 493300 step time: 00:00:00.020524 Performance: 310.783 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:33:44,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493300 49330 40.428 -39382 4431 -43813 -43813 -0.49569 1.0266 0.32823 2.4146e+05 2023-02-16 05:33:46,659 INFO [main.py:643]
{rank 0/100} MD step = 493400 step time: 00:00:00.020642 Performance: 310.785 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:33:47,066 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493400 49340 39.829 -39510 4365.3 -43876 -43876 -0.49609 1.0277 0.32886 2.415e+05 2023-02-16 05:33:49,419 INFO [main.py:643]
{rank 0/100} MD step = 493500 step time: 00:00:00.020581 Performance: 310.785 ns/day 0.077 hours/ns 35.971 steps/s 2023-02-16 05:33:50,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493500 49350 40.433 -39459 4431.6 -43891 -43891 -0.49449 1.028 0.32834 2.4156e+05 2023-02-16 05:33:52,152 INFO [main.py:643]
{rank 0/100} MD step = 493600 step time: 00:00:00.020589 Performance: 310.787 ns/day 0.077 hours/ns 35.971 steps/s 2023-02-16 05:33:52,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493600 49360 39.75 -39446 4356.6 -43803 -43803 -0.49553 1.028 0.32848 2.416e+05 2023-02-16 05:33:54,987 INFO [main.py:643]
{rank 0/100} MD step = 493700 step time: 00:00:00.020349 Performance: 310.785 ns/day 0.077 hours/ns 35.971 steps/s 2023-02-16 05:33:55,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493700 49370 40.022 -39471 4386.5 -43857 -43857 -0.49523 1.0273 0.32869 2.4165e+05 2023-02-16 05:33:57,713 INFO [main.py:643]
{rank 0/100} MD step = 493800 step time: 00:00:00.020268 Performance: 310.787 ns/day 0.077 hours/ns 35.971 steps/s 2023-02-16 05:33:58,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493800 49380 40.072 -39504 4392 -43896 -43896 -0.49439 1.0271 0.32959 2.4169e+05 2023-02-16 05:34:00,686 INFO [main.py:643]
{rank 0/100} MD step = 493900 step time: 00:00:00.020401 Performance: 310.782 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:01,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493900 49390 40.349 -39422 4422.3 -43844 -43844 -0.49536 1.0278 0.32973 2.4175e+05 2023-02-16 05:34:03,405 INFO [main.py:643]
{rank 0/100} MD step = 494000 step time: 00:00:00.020368 Performance: 310.784 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:03,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494000 49400 39.928 -39518 4376.1 -43895 -43895 -0.49546 1.028 0.32956 2.4179e+05 2023-02-16 05:34:06,141 INFO [main.py:643]
{rank 0/100} MD step = 494100 step time: 00:00:00.024071 Performance: 310.785 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:06,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494100 49410 40.619 -39273 4451.9 -43725 -43725 -0.49728 1.0288 0.32947 2.4185e+05 2023-02-16 05:34:08,876 INFO [main.py:643]
{rank 0/100} MD step = 494200 step time: 00:00:00.020465 Performance: 310.786 ns/day 0.077 hours/ns 35.971 steps/s 2023-02-16 05:34:09,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494200 49420 40.146 -39484 4400.1 -43884 -43884 -0.4969 1.0287 0.3285 2.4188e+05 2023-02-16 05:34:11,713 INFO [main.py:643]
{rank 0/100} MD step = 494300 step time: 00:00:00.020439 Performance: 310.784 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:12,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494300 49430 40.4 -39421 4427.9 -43849 -43849 -0.49755 1.0285 0.32831 2.4194e+05 2023-02-16 05:34:14,495 INFO [main.py:643]
{rank 0/100} MD step = 494400 step time: 00:00:00.020397 Performance: 310.784 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:15,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494400 49440 40.491 -39422 4437.9 -43860 -43860 -0.49698 1.0282 0.32819 2.42e+05 2023-02-16 05:34:17,499 INFO [main.py:643]
{rank 0/100} MD step = 494500 step time: 00:00:00.020591 Performance: 310.779 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:18,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494500 49450 40.371 -39474 4424.8 -43899 -43899 -0.49736 1.0281 0.32826 2.4204e+05 2023-02-16 05:34:20,200 INFO [main.py:643]
{rank 0/100} MD step = 494600 step time: 00:00:00.020558 Performance: 310.781 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:20,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494600 49460 40.121 -39402 4397.3 -43800 -43800 -0.49726 1.0282 0.32821 2.4209e+05 2023-02-16 05:34:22,967 INFO [main.py:643]
{rank 0/100} MD step = 494700 step time: 00:00:00.020728 Performance: 310.781 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:23,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494700 49470 39.732 -39472 4354.7 -43827 -43827 -0.498 1.0281 0.32848 2.4215e+05 2023-02-16 05:34:25,756 INFO [main.py:643]
{rank 0/100} MD step = 494800 step time: 00:00:00.020484 Performance: 310.781 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:26,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494800 49480 39.444 -39539 4323.1 -43862 -43862 -0.49598 1.0287 0.32854 2.422e+05 2023-02-16 05:34:28,717 INFO [main.py:643]
{rank 0/100} MD step = 494900 step time: 00:00:00.020474 Performance: 310.777 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:29,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494900 49490 40.293 -39325 4416.2 -43741 -43741 -0.49614 1.0282 0.32809 2.4226e+05 2023-02-16 05:34:31,445 INFO [main.py:643]
{rank 0/100} MD step = 495000 step time: 00:00:00.020500 Performance: 310.778 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:32,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495000 49500 40.397 -39448 4427.6 -43875 -43875 -0.49736 1.0286 0.32777 2.4232e+05 2023-02-16 05:34:34,150 INFO [main.py:643]
{rank 0/100} MD step = 495100 step time: 00:00:00.020387 Performance: 310.780 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:34,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495100 49510 40.021 -39475 4386.3 -43861 -43861 -0.49849 1.0288 0.32845 2.4236e+05 2023-02-16 05:34:37,008 INFO [main.py:643]
{rank 0/100} MD step = 495200 step time: 00:00:00.020393 Performance: 310.778 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:37,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495200 49520 39.738 -39472 4355.4 -43827 -43827 -0.49807 1.0286 0.32861 2.424e+05 2023-02-16 05:34:39,822 INFO [main.py:643]
{rank 0/100} MD step = 495300 step time: 00:00:00.020475 Performance: 310.777 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:40,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495300 49530 39.616 -39502 4342 -43844 -43844 -0.49862 1.028 0.32847 2.4244e+05 2023-02-16 05:34:42,601 INFO [main.py:643]
{rank 0/100} MD step = 495400 step time: 00:00:00.020330 Performance: 310.777 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:43,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495400 49540 39.769 -39493 4358.8 -43851 -43851 -0.4984 1.028 0.3284 2.425e+05 2023-02-16 05:34:45,299 INFO [main.py:643]
{rank 0/100} MD step = 495500 step time: 00:00:00.020839 Performance: 310.779 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:46,039 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495500 49550 39.26 -39511 4302.9 -43814 -43814 -0.49921 1.0285 0.32816 2.4256e+05 2023-02-16 05:34:48,071 INFO [main.py:643]
{rank 0/100} MD step = 495600 step time: 00:00:00.020478 Performance: 310.779 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:48,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495600 49560 39.745 -39470 4356.1 -43826 -43826 -0.49786 1.0289 0.32862 2.4262e+05 2023-02-16 05:34:50,775 INFO [main.py:643]
{rank 0/100} MD step = 495700 step time: 00:00:00.020403 Performance: 310.781 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:51,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495700 49570 40.181 -39471 4403.9 -43875 -43875 -0.49767 1.029 0.32818 2.4266e+05 2023-02-16 05:34:53,512 INFO [main.py:643]
{rank 0/100} MD step = 495800 step time: 00:00:00.020492 Performance: 310.782 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:54,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495800 49580 40.259 -39415 4412.4 -43827 -43827 -0.49605 1.0294 0.32821 2.4272e+05 2023-02-16 05:34:56,335 INFO [main.py:643]
{rank 0/100} MD step = 495900 step time: 00:00:00.020586 Performance: 310.781 ns/day 0.077 hours/ns 35.970 steps/s 2023-02-16 05:34:57,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495900 49590 39.446 -39545 4323.4 -43868 -43868 -0.49571 1.0296 0.32819 2.4275e+05 2023-02-16 05:34:59,690 INFO [main.py:643]
{rank 0/100} MD step = 496000 step time: 00:00:00.020498 Performance: 310.768 ns/day 0.077 hours/ns 35.969 steps/s 2023-02-16 05:35:00,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496000 49600 39.904 -39507 4373.6 -43880 -43880 -0.49487 1.0303 0.32907 2.4279e+05 2023-02-16 05:35:02,512 INFO [main.py:643]
{rank 0/100} MD step = 496100 step time: 00:00:00.020530 Performance: 310.767 ns/day 0.077 hours/ns 35.968 steps/s 2023-02-16 05:35:03,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496100 49610 40.217 -39471 4407.8 -43879 -43879 -0.49593 1.0301 0.32912 2.4284e+05 2023-02-16 05:35:05,283 INFO [main.py:643]
{rank 0/100} MD step = 496200 step time: 00:00:00.020306 Performance: 310.767 ns/day 0.077 hours/ns 35.968 steps/s 2023-02-16 05:35:06,022 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496200 49620 39.229 -39561 4299.6 -43860 -43860 -0.49803 1.0308 0.32967 2.4288e+05 2023-02-16 05:35:08,048 INFO [main.py:643]
{rank 0/100} MD step = 496300 step time: 00:00:00.022812 Performance: 310.768 ns/day 0.077 hours/ns 35.968 steps/s 2023-02-16 05:35:08,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496300 49630 39.935 -39470 4376.9 -43847 -43847 -0.49793 1.0312 0.32876 2.4293e+05 2023-02-16 05:35:10,942 INFO [main.py:643]
{rank 0/100} MD step = 496400 step time: 00:00:00.020462 Performance: 310.765 ns/day 0.077 hours/ns 35.968 steps/s 2023-02-16 05:35:11,470 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496400 49640 39.853 -39514 4367.9 -43882 -43882 -0.49986 1.031 0.32929 2.4297e+05 2023-02-16 05:35:13,784 INFO [main.py:643]
{rank 0/100} MD step = 496500 step time: 00:00:00.020394 Performance: 310.764 ns/day 0.077 hours/ns 35.968 steps/s 2023-02-16 05:35:14,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496500 49650 39.806 -39419 4362.8 -43782 -43782 -0.50014 1.0311 0.32929 2.4303e+05 2023-02-16 05:35:16,528 INFO [main.py:643]
{rank 0/100} MD step = 496600 step time: 00:00:00.020647 Performance: 310.765 ns/day 0.077 hours/ns 35.968 steps/s 2023-02-16 05:35:22,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496600 49660 40.424 -39394 4430.5 -43824 -43824 -0.50034 1.0313 0.32968 2.431e+05 2023-02-16 05:35:24,726 INFO [main.py:643]
{rank 0/100} MD step = 496700 step time: 00:00:00.020793 Performance: 310.643 ns/day 0.077 hours/ns 35.954 steps/s 2023-02-16 05:35:27,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496700 49670 39.671 -39484 4348 -43832 -43832 -0.50149 1.0315 0.32969 2.4313e+05 2023-02-16 05:35:29,533 INFO [main.py:643]
{rank 0/100} MD step = 496800 step time: 00:00:00.020871 Performance: 310.597 ns/day 0.077 hours/ns 35.949 steps/s 2023-02-16 05:35:30,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496800 49680 39.459 -39434 4324.8 -43759 -43759 -0.50212 1.0318 0.32951 2.4319e+05 2023-02-16 05:35:32,294 INFO [main.py:643]
{rank 0/100} MD step = 496900 step time: 00:00:00.020628 Performance: 310.598 ns/day 0.077 hours/ns 35.949 steps/s 2023-02-16 05:35:32,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496900 49690 39.516 -39546 4331.1 -43877 -43877 -0.50312 1.0318 0.3296 2.4322e+05 2023-02-16 05:35:34,993 INFO [main.py:643]
{rank 0/100} MD step = 497000 step time: 00:00:00.020421 Performance: 310.600 ns/day 0.077 hours/ns 35.949 steps/s 2023-02-16 05:35:35,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497000 49700 40.698 -39408 4460.6 -43869 -43869 -0.50364 1.0327 0.32954 2.4327e+05 2023-02-16 05:35:37,727 INFO [main.py:643]
{rank 0/100} MD step = 497100 step time: 00:00:00.020409 Performance: 310.601 ns/day 0.077 hours/ns 35.949 steps/s 2023-02-16 05:35:38,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497100 49710 39.663 -39399 4347.1 -43746 -43746 -0.50282 1.032 0.32992 2.4333e+05 2023-02-16 05:35:40,443 INFO [main.py:643]
{rank 0/100} MD step = 497200 step time: 00:00:00.020598 Performance: 310.602 ns/day 0.077 hours/ns 35.949 steps/s 2023-02-16 05:35:42,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497200 49720 40.693 -39384 4460 -43844 -43844 -0.50288 1.0313 0.32939 2.4338e+05 2023-02-16 05:35:44,258 INFO [main.py:643]
{rank 0/100} MD step = 497300 step time: 00:00:00.020654 Performance: 310.579 ns/day 0.077 hours/ns 35.947 steps/s 2023-02-16 05:35:44,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497300 49730 40.31 -39433 4418.1 -43851 -43851 -0.50191 1.0312 0.32882 2.4342e+05 2023-02-16 05:35:46,979 INFO [main.py:643]
{rank 0/100} MD step = 497400 step time: 00:00:00.020524 Performance: 310.580 ns/day 0.077 hours/ns 35.947 steps/s 2023-02-16 05:35:47,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497400 49740 40.054 -39457 4390 -43847 -43847 -0.5013 1.0313 0.32871 2.4348e+05 2023-02-16 05:35:49,705 INFO [main.py:643]
{rank 0/100} MD step = 497500 step time: 00:00:00.020287 Performance: 310.581 ns/day 0.077 hours/ns 35.947 steps/s 2023-02-16 05:35:50,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497500 49750 40.182 -39366 4404 -43770 -43770 -0.49949 1.0309 0.3291 2.4351e+05 2023-02-16 05:35:52,496 INFO [main.py:643]
{rank 0/100} MD step = 497600 step time: 00:00:00.020430 Performance: 310.581 ns/day 0.077 hours/ns 35.947 steps/s 2023-02-16 05:35:52,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497600 49760 40.589 -39422 4448.6 -43871 -43871 -0.49915 1.0306 0.32867 2.4356e+05 2023-02-16 05:35:55,305 INFO [main.py:643]
{rank 0/100} MD step = 497700 step time: 00:00:00.020445 Performance: 310.581 ns/day 0.077 hours/ns 35.947 steps/s 2023-02-16 05:35:55,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497700 49770 40.187 -39481 4404.5 -43885 -43885 -0.499 1.031 0.32911 2.4359e+05 2023-02-16 05:35:58,186 INFO [main.py:643]
{rank 0/100} MD step = 497800 step time: 00:00:00.021718 Performance: 310.578 ns/day 0.077 hours/ns 35.947 steps/s 2023-02-16 05:35:58,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497800 49780 40.138 -39437 4399.2 -43837 -43837 -0.49997 1.0314 0.32894 2.4365e+05 2023-02-16 05:36:00,990 INFO [main.py:643]
{rank 0/100} MD step = 497900 step time: 00:00:00.020535 Performance: 310.578 ns/day 0.077 hours/ns 35.947 steps/s 2023-02-16 05:36:01,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497900 49790 39.855 -39469 4368.1 -43837 -43837 -0.50007 1.0316 0.32929 2.4369e+05 2023-02-16 05:36:03,760 INFO [main.py:643]
{rank 0/100} MD step = 498000 step time: 00:00:00.020509 Performance: 310.578 ns/day 0.077 hours/ns 35.947 steps/s 2023-02-16 05:36:04,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498000 49800 40.168 -39390 4402.4 -43793 -43793 -0.4998 1.0312 0.32962 2.4375e+05 2023-02-16 05:36:06,716 INFO [main.py:643]
{rank 0/100} MD step = 498100 step time: 00:00:00.020391 Performance: 310.574 ns/day 0.077 hours/ns 35.946 steps/s 2023-02-16 05:36:07,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498100 49810 40.058 -39427 4390.4 -43817 -43817 -0.50214 1.0301 0.32989 2.438e+05 2023-02-16 05:36:09,724 INFO [main.py:643]
{rank 0/100} MD step = 498200 step time: 00:00:00.020404 Performance: 310.569 ns/day 0.077 hours/ns 35.946 steps/s 2023-02-16 05:36:10,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498200 49820 39.941 -39467 4377.6 -43845 -43845 -0.49997 1.0295 0.33084 2.4386e+05 2023-02-16 05:36:12,669 INFO [main.py:643]
{rank 0/100} MD step = 498300 step time: 00:00:00.020333 Performance: 310.566 ns/day 0.077 hours/ns 35.945 steps/s 2023-02-16 05:36:13,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498300 49830 39.71 -39360 4352.3 -43712 -43712 -0.49963 1.0296 0.33081 2.4389e+05 2023-02-16 05:36:15,734 INFO [main.py:643]
{rank 0/100} MD step = 498400 step time: 00:00:00.020247 Performance: 310.559 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:16,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498400 49840 40.241 -39484 4410.5 -43894 -43894 -0.49805 1.0291 0.33076 2.4395e+05 2023-02-16 05:36:18,490 INFO [main.py:643]
{rank 0/100} MD step = 498500 step time: 00:00:00.020485 Performance: 310.560 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:19,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498500 49850 40.23 -39458 4409.3 -43867 -43867 -0.49877 1.0289 0.33012 2.4399e+05 2023-02-16 05:36:21,337 INFO [main.py:643]
{rank 0/100} MD step = 498600 step time: 00:00:00.020596 Performance: 310.558 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:22,068 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498600 49860 39.668 -39450 4347.7 -43798 -43798 -0.50022 1.0298 0.32982 2.4405e+05 2023-02-16 05:36:24,115 INFO [main.py:643]
{rank 0/100} MD step = 498700 step time: 00:00:00.020626 Performance: 310.558 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:24,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498700 49870 39.918 -39491 4375.1 -43866 -43866 -0.50019 1.0298 0.32969 2.4409e+05 2023-02-16 05:36:26,914 INFO [main.py:643]
{rank 0/100} MD step = 498800 step time: 00:00:00.020339 Performance: 310.558 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:27,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498800 49880 39.562 -39488 4336 -43824 -43824 -0.49904 1.0307 0.32995 2.4414e+05 2023-02-16 05:36:29,699 INFO [main.py:643]
{rank 0/100} MD step = 498900 step time: 00:00:00.020546 Performance: 310.558 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:30,398 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498900 49890 39.273 -39551 4304.3 -43855 -43855 -0.49721 1.031 0.32964 2.442e+05 2023-02-16 05:36:32,427 INFO [main.py:643]
{rank 0/100} MD step = 499000 step time: 00:00:00.020394 Performance: 310.559 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:32,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499000 49900 40.161 -39435 4401.7 -43837 -43837 -0.49688 1.0316 0.32929 2.4423e+05 2023-02-16 05:36:35,109 INFO [main.py:643]
{rank 0/100} MD step = 499100 step time: 00:00:00.020439 Performance: 310.562 ns/day 0.077 hours/ns 35.945 steps/s 2023-02-16 05:36:35,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499100 49910 39.652 -39505 4345.9 -43851 -43851 -0.49713 1.0315 0.33031 2.4428e+05 2023-02-16 05:36:37,965 INFO [main.py:643]
{rank 0/100} MD step = 499200 step time: 00:00:00.020783 Performance: 310.560 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:38,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499200 49920 40.829 -39375 4474.9 -43850 -43850 -0.49627 1.0316 0.32898 2.4435e+05 2023-02-16 05:36:40,828 INFO [main.py:643]
{rank 0/100} MD step = 499300 step time: 00:00:00.020656 Performance: 310.558 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:41,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499300 49930 39.776 -39481 4359.5 -43841 -43841 -0.49652 1.0325 0.32929 2.444e+05 2023-02-16 05:36:43,559 INFO [main.py:643]
{rank 0/100} MD step = 499400 step time: 00:00:00.020435 Performance: 310.559 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:44,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499400 49940 39.744 -39448 4356 -43804 -43804 -0.49746 1.0327 0.32831 2.4445e+05 2023-02-16 05:36:46,365 INFO [main.py:643]
{rank 0/100} MD step = 499500 step time: 00:00:00.020476 Performance: 310.559 ns/day 0.077 hours/ns 35.944 steps/s 2023-02-16 05:36:48,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499500 49950 39.879 -39444 4370.8 -43814 -43814 -0.49785 1.0315 0.32824 2.4451e+05 2023-02-16 05:36:50,600 INFO [main.py:643]
{rank 0/100} MD step = 499600 step time: 00:00:00.020596 Performance: 310.526 ns/day 0.077 hours/ns 35.941 steps/s 2023-02-16 05:36:51,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499600 49960 40.032 -39435 4387.6 -43823 -43823 -0.49932 1.031 0.32759 2.4456e+05 2023-02-16 05:36:53,398 INFO [main.py:643]
{rank 0/100} MD step = 499700 step time: 00:00:00.020425 Performance: 310.526 ns/day 0.077 hours/ns 35.940 steps/s 2023-02-16 05:36:54,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499700 49970 39.692 -39445 4350.3 -43795 -43795 -0.49841 1.0311 0.32829 2.4461e+05 2023-02-16 05:36:56,239 INFO [main.py:643]
{rank 0/100} MD step = 499800 step time: 00:00:00.020503 Performance: 310.525 ns/day 0.077 hours/ns 35.940 steps/s 2023-02-16 05:36:57,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499800 49980 40.581 -39412 4447.7 -43860 -43860 -0.49969 1.0314 0.32809 2.4464e+05 2023-02-16 05:36:59,741 INFO [main.py:643]
{rank 0/100} MD step = 499900 step time: 00:00:00.021169 Performance: 310.508 ns/day 0.077 hours/ns 35.938 steps/s 2023-02-16 05:37:00,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499900 49990 39.769 -39507 4358.7 -43865 -43865 -0.50013 1.0321 0.32912 2.447e+05 2023-02-16 05:37:02,624 INFO [main.py:643]
{rank 0/100} MD step = 500000 step time: 00:00:00.020457 Performance: 310.506 ns/day 0.077 hours/ns 35.938 steps/s 2023-02-16 05:37:03,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 500000 50000 40.125 -39421 4397.8 -43819 -43819 -0.49907 1.0316 0.32955 2.4475e+05 2023-02-16 05:37:03,265 INFO [main.py:1143]
{rank 0/100} Elapsed time: 03:51:55.451853 Setup time: 00:00:02.018394 MD loop time: 03:51:53.433459